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LongText Report for: 5l2p-pdb

Name Class
5l2p-pdb
HEADER    HYDROLASE                               02-AUG-16   5L2P              
TITLE     STRUCTURE OF ARYLESTERASE                                             
COMPND    MOL_ID: 1;                                                            
COMPND   2 MOLECULE: ARYLESTERASE;                                              
COMPND   3 CHAIN: A, B, C, D;                                                   
COMPND   4 SYNONYM: A-ESTERASE,PARAOXONASE;                                     
COMPND   5 EC: 3.1.1.2,3.1.8.1;                                                 
COMPND   6 ENGINEERED: YES                                                      
SOURCE    MOL_ID: 1;                                                            
SOURCE   2 ORGANISM_SCIENTIFIC: SULFOLOBUS SOLFATARICUS;                        
SOURCE   3 ORGANISM_TAXID: 2287;                                                
SOURCE   4 GENE: ARE;                                                           
SOURCE   5 EXPRESSION_SYSTEM: ESCHERICHIA COLI-PICHIA PASTORIS SHUTTLE VECTOR   
SOURCE   6 PPPARG4;                                                             
SOURCE   7 EXPRESSION_SYSTEM_TAXID: 1182032                                     
KEYWDS    ARYLESTERASE, HYDROLASE                                               
EXPDTA    X-RAY DIFFRACTION                                                     
AUTHOR    H.B.LEE,Y.J.PARK                                                      
REVDAT   1   09-AUG-17 5L2P    0                                                
JRNL        AUTH   H.B.LEE,Y.J.PARK                                             
JRNL        TITL   STRUCTURE OF ARYLESTERASE                                    
JRNL        REF    TO BE PUBLISHED                                              
JRNL        REFN                                                                
REMARK   2                                                                      
REMARK   2 RESOLUTION.    2.56 ANGSTROMS.                                       
REMARK   3                                                                      
REMARK   3 REFINEMENT.                                                          
REMARK   3   PROGRAM     : REFMAC 5.7.0029                                      
REMARK   3   AUTHORS     : MURSHUDOV,VAGIN,DODSON                               
REMARK   3                                                                      
REMARK   3    REFINEMENT TARGET : NULL                                          
REMARK   3                                                                      
REMARK   3  DATA USED IN REFINEMENT.                                            
REMARK   3   RESOLUTION RANGE HIGH (ANGSTROMS) : 2.56                           
REMARK   3   RESOLUTION RANGE LOW  (ANGSTROMS) : 50.00                          
REMARK   3   DATA CUTOFF            (SIGMA(F)) : 0.000                          
REMARK   3   COMPLETENESS FOR RANGE        (%) : 92.8                           
REMARK   3   NUMBER OF REFLECTIONS             : 38349                          
REMARK   3                                                                      
REMARK   3  FIT TO DATA USED IN REFINEMENT.                                     
REMARK   3   CROSS-VALIDATION METHOD          : THROUGHOUT                      
REMARK   3   FREE R VALUE TEST SET SELECTION  : RANDOM                          
REMARK   3   R VALUE     (WORKING + TEST SET) : 0.217                           
REMARK   3   R VALUE            (WORKING SET) : 0.216                           
REMARK   3   FREE R VALUE                     : 0.231                           
REMARK   3   FREE R VALUE TEST SET SIZE   (%) : 5.000                           
REMARK   3   FREE R VALUE TEST SET COUNT      : 2029                            
REMARK   3                                                                      
REMARK   3  FIT IN THE HIGHEST RESOLUTION BIN.                                  
REMARK   3   TOTAL NUMBER OF BINS USED           : 20                           
REMARK   3   BIN RESOLUTION RANGE HIGH       (A) : 2.56                         
REMARK   3   BIN RESOLUTION RANGE LOW        (A) : 2.63                         
REMARK   3   REFLECTION IN BIN     (WORKING SET) : 1875                         
REMARK   3   BIN COMPLETENESS (WORKING+TEST) (%) : 61.15                        
REMARK   3   BIN R VALUE           (WORKING SET) : 0.3230                       
REMARK   3   BIN FREE R VALUE SET COUNT          : 89                           
REMARK   3   BIN FREE R VALUE                    : 0.3070                       
REMARK   3                                                                      
REMARK   3  NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT.                    
REMARK   3   PROTEIN ATOMS            : 9684                                    
REMARK   3   NUCLEIC ACID ATOMS       : 0                                       
REMARK   3   HETEROGEN ATOMS          : 0                                       
REMARK   3   SOLVENT ATOMS            : 0                                       
REMARK   3                                                                      
REMARK   3  B VALUES.                                                           
REMARK   3   FROM WILSON PLOT           (A**2) : NULL                           
REMARK   3   MEAN B VALUE      (OVERALL, A**2) : 57.99                          
REMARK   3   OVERALL ANISOTROPIC B VALUE.                                       
REMARK   3    B11 (A**2) : -5.28000                                             
REMARK   3    B22 (A**2) : -3.92000                                             
REMARK   3    B33 (A**2) : 7.47000                                              
REMARK   3    B12 (A**2) : 0.00000                                              
REMARK   3    B13 (A**2) : -0.34000                                             
REMARK   3    B23 (A**2) : 0.00000                                              
REMARK   3                                                                      
REMARK   3  ESTIMATED OVERALL COORDINATE ERROR.                                 
REMARK   3   ESU BASED ON R VALUE                            (A): NULL          
REMARK   3   ESU BASED ON FREE R VALUE                       (A): 0.310         
REMARK   3   ESU BASED ON MAXIMUM LIKELIHOOD                 (A): 0.241         
REMARK   3   ESU FOR B VALUES BASED ON MAXIMUM LIKELIHOOD (A**2): 25.393        
REMARK   3                                                                      
REMARK   3 CORRELATION COEFFICIENTS.                                            
REMARK   3   CORRELATION COEFFICIENT FO-FC      : 0.934                         
REMARK   3   CORRELATION COEFFICIENT FO-FC FREE : 0.929                         
REMARK   3                                                                      
REMARK   3  RMS DEVIATIONS FROM IDEAL VALUES        COUNT    RMS    WEIGHT      
REMARK   3   BOND LENGTHS REFINED ATOMS        (A):  9894 ; 0.013 ; 0.019       
REMARK   3   BOND LENGTHS OTHERS               (A):  9781 ; 0.001 ; 0.020       
REMARK   3   BOND ANGLES REFINED ATOMS   (DEGREES): 13427 ; 1.347 ; 1.977       
REMARK   3   BOND ANGLES OTHERS          (DEGREES): 22230 ; 0.754 ; 3.001       
REMARK   3   TORSION ANGLES, PERIOD 1    (DEGREES):  1213 ; 5.275 ; 5.000       
REMARK   3   TORSION ANGLES, PERIOD 2    (DEGREES):   450 ;35.009 ;23.889       
REMARK   3   TORSION ANGLES, PERIOD 3    (DEGREES):  1703 ;13.622 ;15.000       
REMARK   3   TORSION ANGLES, PERIOD 4    (DEGREES):    68 ;13.919 ;15.000       
REMARK   3   CHIRAL-CENTER RESTRAINTS       (A**3):  1508 ; 0.079 ; 0.200       
REMARK   3   GENERAL PLANES REFINED ATOMS      (A): 11116 ; 0.006 ; 0.021       
REMARK   3   GENERAL PLANES OTHERS             (A):  2232 ; 0.001 ; 0.020       
REMARK   3   NON-BONDED CONTACTS REFINED ATOMS (A):  NULL ;  NULL ;  NULL       
REMARK   3   NON-BONDED CONTACTS OTHERS        (A):  NULL ;  NULL ;  NULL       
REMARK   3   NON-BONDED TORSION REFINED ATOMS  (A):  NULL ;  NULL ;  NULL       
REMARK   3   NON-BONDED TORSION OTHERS         (A):  NULL ;  NULL ;  NULL       
REMARK   3   H-BOND (X...Y) REFINED ATOMS      (A):  NULL ;  NULL ;  NULL       
REMARK   3   H-BOND (X...Y) OTHERS             (A):  NULL ;  NULL ;  NULL       
REMARK   3   POTENTIAL METAL-ION REFINED ATOMS (A):  NULL ;  NULL ;  NULL       
REMARK   3   POTENTIAL METAL-ION OTHERS        (A):  NULL ;  NULL ;  NULL       
REMARK   3   SYMMETRY VDW REFINED ATOMS        (A):  NULL ;  NULL ;  NULL       
REMARK   3   SYMMETRY VDW OTHERS               (A):  NULL ;  NULL ;  NULL       
REMARK   3   SYMMETRY H-BOND REFINED ATOMS     (A):  NULL ;  NULL ;  NULL       
REMARK   3   SYMMETRY H-BOND OTHERS            (A):  NULL ;  NULL ;  NULL       
REMARK   3   SYMMETRY METAL-ION REFINED ATOMS  (A):  NULL ;  NULL ;  NULL       
REMARK   3   SYMMETRY METAL-ION OTHERS         (A):  NULL ;  NULL ;  NULL       
REMARK   3                                                                      
REMARK   3  ISOTROPIC THERMAL FACTOR RESTRAINTS.     COUNT   RMS    WEIGHT      
REMARK   3   MAIN-CHAIN BOND REFINED ATOMS  (A**2):  NULL ;  NULL ;  NULL       
REMARK   3   MAIN-CHAIN BOND OTHER ATOMS    (A**2):  NULL ;  NULL ;  NULL       
REMARK   3   MAIN-CHAIN ANGLE REFINED ATOMS (A**2):  NULL ;  NULL ;  NULL       
REMARK   3   MAIN-CHAIN ANGLE OTHER ATOMS   (A**2):  NULL ;  NULL ;  NULL       
REMARK   3   SIDE-CHAIN BOND REFINED ATOMS  (A**2):  NULL ;  NULL ;  NULL       
REMARK   3   SIDE-CHAIN BOND OTHER ATOMS    (A**2):  NULL ;  NULL ;  NULL       
REMARK   3   SIDE-CHAIN ANGLE REFINED ATOMS (A**2):  NULL ;  NULL ;  NULL       
REMARK   3   SIDE-CHAIN ANGLE OTHER ATOMS   (A**2):  NULL ;  NULL ;  NULL       
REMARK   3   LONG RANGE B REFINED ATOMS     (A**2):  NULL ;  NULL ;  NULL       
REMARK   3   LONG RANGE B OTHER ATOMS       (A**2):  NULL ;  NULL ;  NULL       
REMARK   3                                                                      
REMARK   3 ANISOTROPIC THERMAL FACTOR RESTRAINTS.    COUNT   RMS   WEIGHT       
REMARK   3   RIGID-BOND RESTRAINTS          (A**2):  NULL ;  NULL ;  NULL       
REMARK   3   SPHERICITY; FREE ATOMS         (A**2):  NULL ;  NULL ;  NULL       
REMARK   3   SPHERICITY; BONDED ATOMS       (A**2):  NULL ;  NULL ;  NULL       
REMARK   3                                                                      
REMARK   3  NCS RESTRAINTS STATISTICS                                           
REMARK   3   NUMBER OF DIFFERENT NCS GROUPS : NULL                              
REMARK   3                                                                      
REMARK   3  TLS DETAILS                                                         
REMARK   3   NUMBER OF TLS GROUPS  : 28                                         
REMARK   3                                                                      
REMARK   3   TLS GROUP : 1                                                      
REMARK   3    NUMBER OF COMPONENTS GROUP : 1                                    
REMARK   3    COMPONENTS        C SSSEQI   TO  C SSSEQI                         
REMARK   3    RESIDUE RANGE :   A     1        A    20                          
REMARK   3    ORIGIN FOR THE GROUP (A):  45.2599   6.0515  78.3229              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.3666 T22:   0.3892                                     
REMARK   3      T33:   0.2032 T12:   0.0268                                     
REMARK   3      T13:   0.0704 T23:  -0.0537                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   4.9298 L22:   7.4705                                     
REMARK   3      L33:   8.4414 L12:   1.0304                                     
REMARK   3      L13:  -1.0543 L23:  -2.8113                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.1274 S12:  -0.0492 S13:  -0.0434                       
REMARK   3      S21:  -0.2352 S22:  -0.1557 S23:   0.1136                       
REMARK   3      S31:   0.3067 S32:   0.5991 S33:   0.0283                       
REMARK   3                                                                      
REMARK   3   TLS GROUP : 2                                                      
REMARK   3    NUMBER OF COMPONENTS GROUP : 1                                    
REMARK   3    COMPONENTS        C SSSEQI   TO  C SSSEQI                         
REMARK   3    RESIDUE RANGE :   A    21        A    72                          
REMARK   3    ORIGIN FOR THE GROUP (A):  26.2620  15.9618  67.3933              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.5080 T22:   0.3912                                     
REMARK   3      T33:   0.0974 T12:   0.0175                                     
REMARK   3      T13:   0.0322 T23:  -0.0263                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   3.4837 L22:   1.7166                                     
REMARK   3      L33:   1.4715 L12:   0.5742                                     
REMARK   3      L13:  -0.1059 L23:  -0.2306                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0738 S12:   0.1656 S13:  -0.0153                       
REMARK   3      S21:  -0.3085 S22:   0.0108 S23:  -0.1338                       
REMARK   3      S31:  -0.0464 S32:   0.0729 S33:   0.0630                       
REMARK   3                                                                      
REMARK   3   TLS GROUP : 3                                                      
REMARK   3    NUMBER OF COMPONENTS GROUP : 1                                    
REMARK   3    COMPONENTS        C SSSEQI   TO  C SSSEQI                         
REMARK   3    RESIDUE RANGE :   A    73        A   141                          
REMARK   3    ORIGIN FOR THE GROUP (A):  20.4575  18.8486  74.8171              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.4187 T22:   0.3406                                     
REMARK   3      T33:   0.0557 T12:   0.0271                                     
REMARK   3      T13:   0.0418 T23:  -0.0029                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   2.1685 L22:   2.6971                                     
REMARK   3      L33:   0.7772 L12:   0.3759                                     
REMARK   3      L13:   0.8620 L23:   0.3874                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0245 S12:   0.2236 S13:   0.0221                       
REMARK   3      S21:  -0.0956 S22:  -0.0452 S23:   0.1049                       
REMARK   3      S31:  -0.1965 S32:  -0.0687 S33:   0.0207                       
REMARK   3                                                                      
REMARK   3   TLS GROUP : 4                                                      
REMARK   3    NUMBER OF COMPONENTS GROUP : 1                                    
REMARK   3    COMPONENTS        C SSSEQI   TO  C SSSEQI                         
REMARK   3    RESIDUE RANGE :   A   142        A   212                          
REMARK   3    ORIGIN FOR THE GROUP (A):  26.8955  19.7631  85.4961              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.3899 T22:   0.2873                                     
REMARK   3      T33:   0.0758 T12:   0.0224                                     
REMARK   3      T13:   0.0414 T23:  -0.0182                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   2.7914 L22:   1.2622                                     
REMARK   3      L33:   1.3318 L12:   0.2482                                     
REMARK   3      L13:   0.9180 L23:   0.0100                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0311 S12:   0.2067 S13:   0.1239                       
REMARK   3      S21:  -0.1309 S22:  -0.0807 S23:   0.0716                       
REMARK   3      S31:  -0.1612 S32:  -0.0703 S33:   0.0497                       
REMARK   3                                                                      
REMARK   3   TLS GROUP : 5                                                      
REMARK   3    NUMBER OF COMPONENTS GROUP : 1                                    
REMARK   3    COMPONENTS        C SSSEQI   TO  C SSSEQI                         
REMARK   3    RESIDUE RANGE :   A   213        A   234                          
REMARK   3    ORIGIN FOR THE GROUP (A):  31.7822  31.8780  85.8094              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.4286 T22:   0.3243                                     
REMARK   3      T33:   0.2355 T12:   0.0037                                     
REMARK   3      T13:  -0.0088 T23:   0.0073                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.3662 L22:   6.0966                                     
REMARK   3      L33:   5.9155 L12:  -1.4593                                     
REMARK   3      L13:   0.5127 L23:  -1.3682                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0896 S12:   0.0127 S13:   0.0502                       
REMARK   3      S21:   0.2158 S22:   0.1726 S23:  -0.1136                       
REMARK   3      S31:  -0.6657 S32:   0.1568 S33:  -0.0830                       
REMARK   3                                                                      
REMARK   3   TLS GROUP : 6                                                      
REMARK   3    NUMBER OF COMPONENTS GROUP : 1                                    
REMARK   3    COMPONENTS        C SSSEQI   TO  C SSSEQI                         
REMARK   3    RESIDUE RANGE :   A   235        A   270                          
REMARK   3    ORIGIN FOR THE GROUP (A):  25.7476  16.8640  94.1200              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.3599 T22:   0.3368                                     
REMARK   3      T33:   0.0305 T12:  -0.0096                                     
REMARK   3      T13:   0.0412 T23:  -0.0440                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   8.9786 L22:   3.3775                                     
REMARK   3      L33:   0.8189 L12:  -2.1984                                     
REMARK   3      L13:  -2.2553 L23:   0.2439                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0237 S12:  -0.1157 S13:   0.1189                       
REMARK   3      S21:   0.1582 S22:  -0.0037 S23:   0.1713                       
REMARK   3      S31:  -0.1803 S32:  -0.1395 S33:  -0.0200                       
REMARK   3                                                                      
REMARK   3   TLS GROUP : 7                                                      
REMARK   3    NUMBER OF COMPONENTS GROUP : 1                                    
REMARK   3    COMPONENTS        C SSSEQI   TO  C SSSEQI                         
REMARK   3    RESIDUE RANGE :   A   271        A   306                          
REMARK   3    ORIGIN FOR THE GROUP (A):  25.6280   5.0214  84.9193              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.3947 T22:   0.3153                                     
REMARK   3      T33:   0.0850 T12:   0.0437                                     
REMARK   3      T13:   0.0408 T23:  -0.0636                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   4.1876 L22:   1.4297                                     
REMARK   3      L33:   0.5070 L12:   0.2724                                     
REMARK   3      L13:   0.8433 L23:  -0.5661                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0299 S12:   0.2773 S13:  -0.2912                       
REMARK   3      S21:   0.0066 S22:   0.0657 S23:   0.1352                       
REMARK   3      S31:  -0.0922 S32:  -0.0713 S33:  -0.0956                       
REMARK   3                                                                      
REMARK   3   TLS GROUP : 8                                                      
REMARK   3    NUMBER OF COMPONENTS GROUP : 1                                    
REMARK   3    COMPONENTS        C SSSEQI   TO  C SSSEQI                         
REMARK   3    RESIDUE RANGE :   B     1        B     7                          
REMARK   3    ORIGIN FOR THE GROUP (A):  23.2924  11.4093 106.4357              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.4199 T22:   0.3313                                     
REMARK   3      T33:   0.2827 T12:   0.0572                                     
REMARK   3      T13:   0.0598 T23:  -0.0099                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   1.1874 L22:  10.2734                                     
REMARK   3      L33:  16.1963 L12:   2.8760                                     
REMARK   3      L13:  -3.0302 L23:  -2.0524                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0721 S12:   0.0687 S13:   0.0039                       
REMARK   3      S21:  -0.2537 S22:   0.2011 S23:  -0.0681                       
REMARK   3      S31:   0.0597 S32:  -0.0600 S33:  -0.1290                       
REMARK   3                                                                      
REMARK   3   TLS GROUP : 9                                                      
REMARK   3    NUMBER OF COMPONENTS GROUP : 1                                    
REMARK   3    COMPONENTS        C SSSEQI   TO  C SSSEQI                         
REMARK   3    RESIDUE RANGE :   B     8        B    20                          
REMARK   3    ORIGIN FOR THE GROUP (A):  19.8349   4.8113 116.3213              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.4464 T22:   0.4174                                     
REMARK   3      T33:   0.2632 T12:  -0.0061                                     
REMARK   3      T13:   0.1375 T23:   0.0172                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   9.8213 L22:   0.6206                                     
REMARK   3      L33:  12.0389 L12:  -1.9316                                     
REMARK   3      L13:   0.5632 L23:  -1.5404                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.1837 S12:  -0.4235 S13:   0.2058                       
REMARK   3      S21:   0.2034 S22:   0.1522 S23:   0.0795                       
REMARK   3      S31:  -0.3481 S32:  -0.2234 S33:   0.0315                       
REMARK   3                                                                      
REMARK   3   TLS GROUP : 10                                                     
REMARK   3    NUMBER OF COMPONENTS GROUP : 1                                    
REMARK   3    COMPONENTS        C SSSEQI   TO  C SSSEQI                         
REMARK   3    RESIDUE RANGE :   B    21        B    72                          
REMARK   3    ORIGIN FOR THE GROUP (A):  14.3572 -14.8787 106.1232              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.3193 T22:   0.4404                                     
REMARK   3      T33:   0.1832 T12:  -0.0334                                     
REMARK   3      T13:   0.1198 T23:   0.0107                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   1.1579 L22:   2.0157                                     
REMARK   3      L33:   3.3793 L12:   0.1729                                     
REMARK   3      L13:   0.7341 L23:   0.5117                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0080 S12:  -0.2190 S13:  -0.2077                       
REMARK   3      S21:   0.2877 S22:   0.0568 S23:   0.0144                       
REMARK   3      S31:   0.1242 S32:  -0.2202 S33:  -0.0648                       
REMARK   3                                                                      
REMARK   3   TLS GROUP : 11                                                     
REMARK   3    NUMBER OF COMPONENTS GROUP : 1                                    
REMARK   3    COMPONENTS        C SSSEQI   TO  C SSSEQI                         
REMARK   3    RESIDUE RANGE :   B    73        B   141                          
REMARK   3    ORIGIN FOR THE GROUP (A):  20.7113 -17.5783  99.2883              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.3254 T22:   0.3388                                     
REMARK   3      T33:   0.1511 T12:  -0.0490                                     
REMARK   3      T13:   0.1236 T23:   0.0072                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   1.6226 L22:   0.9730                                     
REMARK   3      L33:   2.0659 L12:  -0.5185                                     
REMARK   3      L13:   1.5883 L23:   0.0156                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0218 S12:  -0.0406 S13:  -0.1193                       
REMARK   3      S21:   0.0200 S22:   0.0742 S23:   0.0543                       
REMARK   3      S31:   0.0512 S32:  -0.0768 S33:  -0.0960                       
REMARK   3                                                                      
REMARK   3   TLS GROUP : 12                                                     
REMARK   3    NUMBER OF COMPONENTS GROUP : 1                                    
REMARK   3    COMPONENTS        C SSSEQI   TO  C SSSEQI                         
REMARK   3    RESIDUE RANGE :   B   142        B   210                          
REMARK   3    ORIGIN FOR THE GROUP (A):  31.0064 -10.6778  99.8126              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.3247 T22:   0.2985                                     
REMARK   3      T33:   0.0838 T12:  -0.0230                                     
REMARK   3      T13:   0.1068 T23:  -0.0059                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   1.4246 L22:   0.9524                                     
REMARK   3      L33:   0.3395 L12:   0.0639                                     
REMARK   3      L13:   0.2404 L23:  -0.2503                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0345 S12:  -0.0346 S13:  -0.1403                       
REMARK   3      S21:   0.0127 S22:  -0.0596 S23:   0.1336                       
REMARK   3      S31:   0.1312 S32:  -0.0686 S33:   0.0250                       
REMARK   3                                                                      
REMARK   3   TLS GROUP : 13                                                     
REMARK   3    NUMBER OF COMPONENTS GROUP : 1                                    
REMARK   3    COMPONENTS        C SSSEQI   TO  C SSSEQI                         
REMARK   3    RESIDUE RANGE :   B   211        B   235                          
REMARK   3    ORIGIN FOR THE GROUP (A):  38.5431 -16.4208 109.0311              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.3198 T22:   0.2890                                     
REMARK   3      T33:   0.1381 T12:   0.0294                                     
REMARK   3      T13:   0.0418 T23:   0.0757                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   3.0952 L22:   2.6095                                     
REMARK   3      L33:  10.8901 L12:   2.1977                                     
REMARK   3      L13:  -1.3313 L23:   0.2317                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0705 S12:  -0.3130 S13:  -0.3821                       
REMARK   3      S21:   0.2141 S22:  -0.2250 S23:   0.0046                       
REMARK   3      S31:   0.0357 S32:   0.2664 S33:   0.1545                       
REMARK   3                                                                      
REMARK   3   TLS GROUP : 14                                                     
REMARK   3    NUMBER OF COMPONENTS GROUP : 1                                    
REMARK   3    COMPONENTS        C SSSEQI   TO  C SSSEQI                         
REMARK   3    RESIDUE RANGE :   B   236        B   305                          
REMARK   3    ORIGIN FOR THE GROUP (A):  28.9165  -2.9088  94.3328              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.3120 T22:   0.2986                                     
REMARK   3      T33:   0.1104 T12:  -0.0094                                     
REMARK   3      T13:   0.0966 T23:   0.0059                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.7607 L22:   1.5427                                     
REMARK   3      L33:   1.6484 L12:   0.5306                                     
REMARK   3      L13:   0.2330 L23:   0.9357                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0495 S12:   0.0312 S13:  -0.1447                       
REMARK   3      S21:  -0.1687 S22:  -0.0444 S23:   0.1098                       
REMARK   3      S31:  -0.1464 S32:   0.0193 S33:   0.0938                       
REMARK   3                                                                      
REMARK   3   TLS GROUP : 15                                                     
REMARK   3    NUMBER OF COMPONENTS GROUP : 1                                    
REMARK   3    COMPONENTS        C SSSEQI   TO  C SSSEQI                         
REMARK   3    RESIDUE RANGE :   C     1        C    25                          
REMARK   3    ORIGIN FOR THE GROUP (A):  61.8137   7.8181  90.2284              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.4735 T22:   0.4274                                     
REMARK   3      T33:   0.1881 T12:  -0.0178                                     
REMARK   3      T13:   0.0559 T23:  -0.0379                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   2.8623 L22:  10.1144                                     
REMARK   3      L33:   2.8537 L12:  -1.3099                                     
REMARK   3      L13:  -1.9754 L23:   1.6166                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.1117 S12:   0.4610 S13:   0.1162                       
REMARK   3      S21:  -0.1608 S22:  -0.0400 S23:  -0.3422                       
REMARK   3      S31:   0.0891 S32:  -0.2513 S33:  -0.0717                       
REMARK   3                                                                      
REMARK   3   TLS GROUP : 16                                                     
REMARK   3    NUMBER OF COMPONENTS GROUP : 1                                    
REMARK   3    COMPONENTS        C SSSEQI   TO  C SSSEQI                         
REMARK   3    RESIDUE RANGE :   C    26        C    41                          
REMARK   3    ORIGIN FOR THE GROUP (A):  72.6783  -4.3972  98.0083              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.3702 T22:   0.4254                                     
REMARK   3      T33:   0.0272 T12:  -0.0028                                     
REMARK   3      T13:   0.0549 T23:  -0.0055                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   4.5883 L22:   9.0305                                     
REMARK   3      L33:   8.7591 L12:   2.9315                                     
REMARK   3      L13:   0.1392 L23:   2.6035                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.1547 S12:   0.4157 S13:  -0.0196                       
REMARK   3      S21:  -0.2690 S22:  -0.2906 S23:  -0.3296                       
REMARK   3      S31:   0.0521 S32:  -0.1242 S33:   0.1359                       
REMARK   3                                                                      
REMARK   3   TLS GROUP : 17                                                     
REMARK   3    NUMBER OF COMPONENTS GROUP : 1                                    
REMARK   3    COMPONENTS        C SSSEQI   TO  C SSSEQI                         
REMARK   3    RESIDUE RANGE :   C    42        C    72                          
REMARK   3    ORIGIN FOR THE GROUP (A):  77.4506   2.5782 117.9010              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.2822 T22:   0.3815                                     
REMARK   3      T33:   0.1022 T12:   0.0113                                     
REMARK   3      T13:   0.0777 T23:  -0.0308                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   2.2659 L22:   8.9322                                     
REMARK   3      L33:   2.0093 L12:   1.2666                                     
REMARK   3      L13:  -0.0512 L23:  -1.8374                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0034 S12:  -0.1312 S13:   0.0917                       
REMARK   3      S21:   0.1486 S22:  -0.1583 S23:  -0.4723                       
REMARK   3      S31:   0.0089 S32:   0.1100 S33:   0.1549                       
REMARK   3                                                                      
REMARK   3   TLS GROUP : 18                                                     
REMARK   3    NUMBER OF COMPONENTS GROUP : 1                                    
REMARK   3    COMPONENTS        C SSSEQI   TO  C SSSEQI                         
REMARK   3    RESIDUE RANGE :   C    73        C   140                          
REMARK   3    ORIGIN FOR THE GROUP (A):  69.0307  -0.7900 116.2354              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.2845 T22:   0.2788                                     
REMARK   3      T33:   0.0610 T12:   0.0262                                     
REMARK   3      T13:   0.0907 T23:   0.0388                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   1.2507 L22:   2.7344                                     
REMARK   3      L33:   1.9516 L12:   0.1911                                     
REMARK   3      L13:   0.7306 L23:   1.0803                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0007 S12:  -0.0212 S13:   0.0135                       
REMARK   3      S21:   0.0386 S22:   0.0414 S23:  -0.2032                       
REMARK   3      S31:  -0.0123 S32:   0.0666 S33:  -0.0407                       
REMARK   3                                                                      
REMARK   3   TLS GROUP : 19                                                     
REMARK   3    NUMBER OF COMPONENTS GROUP : 1                                    
REMARK   3    COMPONENTS        C SSSEQI   TO  C SSSEQI                         
REMARK   3    RESIDUE RANGE :   C   141        C   209                          
REMARK   3    ORIGIN FOR THE GROUP (A):  57.1949   0.0850 113.3480              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.3037 T22:   0.2300                                     
REMARK   3      T33:   0.0691 T12:   0.0353                                     
REMARK   3      T13:   0.0962 T23:  -0.0196                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   2.2448 L22:   0.9075                                     
REMARK   3      L33:   2.0973 L12:   0.1717                                     
REMARK   3      L13:   1.3313 L23:  -0.0695                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0681 S12:  -0.0474 S13:  -0.0979                       
REMARK   3      S21:   0.1075 S22:  -0.0246 S23:  -0.0993                       
REMARK   3      S31:   0.2359 S32:  -0.0307 S33:  -0.0435                       
REMARK   3                                                                      
REMARK   3   TLS GROUP : 20                                                     
REMARK   3    NUMBER OF COMPONENTS GROUP : 1                                    
REMARK   3    COMPONENTS        C SSSEQI   TO  C SSSEQI                         
REMARK   3    RESIDUE RANGE :   C   210        C   236                          
REMARK   3    ORIGIN FOR THE GROUP (A):  53.4361 -12.3201 110.2092              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.3797 T22:   0.2878                                     
REMARK   3      T33:   0.1890 T12:  -0.0198                                     
REMARK   3      T13:   0.1057 T23:  -0.0179                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   4.6007 L22:   5.3159                                     
REMARK   3      L33:   1.9750 L12:  -1.8233                                     
REMARK   3      L13:   0.2901 L23:   1.7343                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0618 S12:   0.4212 S13:  -0.2468                       
REMARK   3      S21:   0.0601 S22:  -0.0772 S23:  -0.0865                       
REMARK   3      S31:   0.3291 S32:  -0.1632 S33:   0.0153                       
REMARK   3                                                                      
REMARK   3   TLS GROUP : 21                                                     
REMARK   3    NUMBER OF COMPONENTS GROUP : 1                                    
REMARK   3    COMPONENTS        C SSSEQI   TO  C SSSEQI                         
REMARK   3    RESIDUE RANGE :   C   237        C   306                          
REMARK   3    ORIGIN FOR THE GROUP (A):  55.5113   9.6879 112.4649              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.3437 T22:   0.2442                                     
REMARK   3      T33:   0.0548 T12:   0.0110                                     
REMARK   3      T13:   0.0853 T23:   0.0095                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   1.7177 L22:   0.5895                                     
REMARK   3      L33:   2.3765 L12:  -0.1031                                     
REMARK   3      L13:   0.4570 L23:   0.1256                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0547 S12:  -0.0284 S13:   0.0424                       
REMARK   3      S21:   0.1449 S22:   0.0776 S23:  -0.0886                       
REMARK   3      S31:  -0.1496 S32:   0.0562 S33:  -0.0229                       
REMARK   3                                                                      
REMARK   3   TLS GROUP : 22                                                     
REMARK   3    NUMBER OF COMPONENTS GROUP : 1                                    
REMARK   3    COMPONENTS        C SSSEQI   TO  C SSSEQI                         
REMARK   3    RESIDUE RANGE :   D     1        D    17                          
REMARK   3    ORIGIN FOR THE GROUP (A):  35.6406  17.1495 122.1648              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.4434 T22:   0.4521                                     
REMARK   3      T33:   0.1961 T12:   0.0199                                     
REMARK   3      T13:   0.0734 T23:   0.0053                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:  11.7794 L22:  11.5589                                     
REMARK   3      L33:   4.6738 L12: -10.0519                                     
REMARK   3      L13:  -1.0596 L23:   3.8730                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.1151 S12:   0.0171 S13:  -0.3428                       
REMARK   3      S21:   0.2659 S22:  -0.1695 S23:   0.3251                       
REMARK   3      S31:   0.1339 S32:  -0.3220 S33:   0.2846                       
REMARK   3                                                                      
REMARK   3   TLS GROUP : 23                                                     
REMARK   3    NUMBER OF COMPONENTS GROUP : 1                                    
REMARK   3    COMPONENTS        C SSSEQI   TO  C SSSEQI                         
REMARK   3    RESIDUE RANGE :   D    18        D    41                          
REMARK   3    ORIGIN FOR THE GROUP (A):  32.5789  35.0934 122.9568              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.6028 T22:   0.6580                                     
REMARK   3      T33:   0.4461 T12:   0.0160                                     
REMARK   3      T13:   0.0636 T23:   0.0191                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   9.9019 L22:   0.9751                                     
REMARK   3      L33:   0.5205 L12:   0.2036                                     
REMARK   3      L13:  -2.0843 L23:  -0.2833                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0405 S12:  -0.4970 S13:  -0.4667                       
REMARK   3      S21:   0.1492 S22:   0.0261 S23:   0.6292                       
REMARK   3      S31:  -0.0458 S32:  -0.0257 S33:  -0.0666                       
REMARK   3                                                                      
REMARK   3   TLS GROUP : 24                                                     
REMARK   3    NUMBER OF COMPONENTS GROUP : 1                                    
REMARK   3    COMPONENTS        C SSSEQI   TO  C SSSEQI                         
REMARK   3    RESIDUE RANGE :   D    42        D    72                          
REMARK   3    ORIGIN FOR THE GROUP (A):  56.7292  41.8483 120.8840              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.3939 T22:   0.3285                                     
REMARK   3      T33:   0.1334 T12:  -0.0204                                     
REMARK   3      T13:   0.0130 T23:  -0.0735                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   3.2132 L22:   3.1896                                     
REMARK   3      L33:   2.4435 L12:  -0.9857                                     
REMARK   3      L13:   0.5187 L23:  -0.8875                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.1527 S12:   0.0498 S13:   0.1461                       
REMARK   3      S21:   0.1982 S22:   0.0486 S23:  -0.0499                       
REMARK   3      S31:  -0.1679 S32:   0.0986 S33:   0.1040                       
REMARK   3                                                                      
REMARK   3   TLS GROUP : 25                                                     
REMARK   3    NUMBER OF COMPONENTS GROUP : 1                                    
REMARK   3    COMPONENTS        C SSSEQI   TO  C SSSEQI                         
REMARK   3    RESIDUE RANGE :   D    73        D   170                          
REMARK   3    ORIGIN FOR THE GROUP (A):  53.5102  38.7088 111.6042              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.3919 T22:   0.2606                                     
REMARK   3      T33:   0.0929 T12:  -0.0084                                     
REMARK   3      T13:   0.0605 T23:  -0.0150                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   1.7120 L22:   1.6254                                     
REMARK   3      L33:   1.7761 L12:   0.4954                                     
REMARK   3      L13:   0.8953 L23:  -0.3063                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0622 S12:   0.0262 S13:   0.2717                       
REMARK   3      S21:  -0.0005 S22:  -0.0190 S23:  -0.1053                       
REMARK   3      S31:  -0.1182 S32:   0.0592 S33:   0.0813                       
REMARK   3                                                                      
REMARK   3   TLS GROUP : 26                                                     
REMARK   3    NUMBER OF COMPONENTS GROUP : 1                                    
REMARK   3    COMPONENTS        C SSSEQI   TO  C SSSEQI                         
REMARK   3    RESIDUE RANGE :   D   171        D   212                          
REMARK   3    ORIGIN FOR THE GROUP (A):  41.2298  27.6517 104.5553              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.3745 T22:   0.2699                                     
REMARK   3      T33:   0.0542 T12:   0.0500                                     
REMARK   3      T13:   0.0625 T23:  -0.0602                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   2.8488 L22:   2.5435                                     
REMARK   3      L33:   0.9817 L12:   1.5500                                     
REMARK   3      L13:   0.7529 L23:  -0.2313                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0187 S12:   0.0270 S13:   0.2031                       
REMARK   3      S21:   0.2051 S22:   0.0141 S23:   0.2455                       
REMARK   3      S31:  -0.2271 S32:  -0.1364 S33:  -0.0328                       
REMARK   3                                                                      
REMARK   3   TLS GROUP : 27                                                     
REMARK   3    NUMBER OF COMPONENTS GROUP : 1                                    
REMARK   3    COMPONENTS        C SSSEQI   TO  C SSSEQI                         
REMARK   3    RESIDUE RANGE :   D   213        D   285                          
REMARK   3    ORIGIN FOR THE GROUP (A):  45.8521  27.7275 102.0391              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.3639 T22:   0.2547                                     
REMARK   3      T33:   0.0471 T12:  -0.0167                                     
REMARK   3      T13:   0.0331 T23:  -0.0315                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   2.4916 L22:   2.4263                                     
REMARK   3      L33:   1.5867 L12:  -0.4489                                     
REMARK   3      L13:  -0.0535 L23:  -0.4053                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0095 S12:   0.1579 S13:   0.1426                       
REMARK   3      S21:  -0.2786 S22:  -0.0387 S23:   0.1880                       
REMARK   3      S31:  -0.0065 S32:  -0.0156 S33:   0.0291                       
REMARK   3                                                                      
REMARK   3   TLS GROUP : 28                                                     
REMARK   3    NUMBER OF COMPONENTS GROUP : 1                                    
REMARK   3    COMPONENTS        C SSSEQI   TO  C SSSEQI                         
REMARK   3    RESIDUE RANGE :   D   286        D   306                          
REMARK   3    ORIGIN FOR THE GROUP (A):  58.8882  23.1543 116.1397              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.3100 T22:   0.2602                                     
REMARK   3      T33:   0.0221 T12:   0.0184                                     
REMARK   3      T13:   0.0167 T23:  -0.0459                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   9.1369 L22:   4.7656                                     
REMARK   3      L33:   4.2343 L12:   1.5332                                     
REMARK   3      L13:  -3.1043 L23:  -1.1482                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0145 S12:  -0.2375 S13:  -0.0431                       
REMARK   3      S21:  -0.0261 S22:  -0.1125 S23:  -0.1371                       
REMARK   3      S31:   0.1617 S32:   0.3468 S33:   0.0980                       
REMARK   3                                                                      
REMARK   3  BULK SOLVENT MODELLING.                                             
REMARK   3   METHOD USED : NULL                                                 
REMARK   3   PARAMETERS FOR MASK CALCULATION                                    
REMARK   3   VDW PROBE RADIUS   : 1.20                                          
REMARK   3   ION PROBE RADIUS   : 0.80                                          
REMARK   3   SHRINKAGE RADIUS   : 0.80                                          
REMARK   3                                                                      
REMARK   3  OTHER REFINEMENT REMARKS: HYDROGENS HAVE BEEN ADDED IN THE RIDING   
REMARK   3  POSITIONS U VALUES : WITH TLS ADDED                                 
REMARK   4                                                                      
REMARK   4 5L2P COMPLIES WITH FORMAT V. 3.30, 13-JUL-11                         
REMARK 100                                                                      
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBJ ON 04-AUG-16.                  
REMARK 100 THE DEPOSITION ID IS D_1000223117.                                   
REMARK 200                                                                      
REMARK 200 EXPERIMENTAL DETAILS                                                 
REMARK 200  EXPERIMENT TYPE                : X-RAY DIFFRACTION                  
REMARK 200  DATE OF DATA COLLECTION        : 02-NOV-15                          
REMARK 200  TEMPERATURE           (KELVIN) : 100                                
REMARK 200  PH                             : 7.5                                
REMARK 200  NUMBER OF CRYSTALS USED        : 1                                  
REMARK 200                                                                      
REMARK 200  SYNCHROTRON              (Y/N) : Y                                  
REMARK 200  RADIATION SOURCE               : SSRL                               
REMARK 200  BEAMLINE                       : BL12-2                             
REMARK 200  X-RAY GENERATOR MODEL          : NULL                               
REMARK 200  MONOCHROMATIC OR LAUE    (M/L) : M                                  
REMARK 200  WAVELENGTH OR RANGE        (A) : 1.0332                             
REMARK 200  MONOCHROMATOR                  : LIQUID NITROGEN-COOLED DOUBLE      
REMARK 200                                   CRYSTAL                            
REMARK 200  OPTICS                         : NULL                               
REMARK 200                                                                      
REMARK 200  DETECTOR TYPE                  : PIXEL                              
REMARK 200  DETECTOR MANUFACTURER          : DECTRIS PILATUS 6M                 
REMARK 200  INTENSITY-INTEGRATION SOFTWARE : SCALEPACK                          
REMARK 200  DATA SCALING SOFTWARE          : NULL                               
REMARK 200                                                                      
REMARK 200  NUMBER OF UNIQUE REFLECTIONS   : 40400                              
REMARK 200  RESOLUTION RANGE HIGH      (A) : 2.560                              
REMARK 200  RESOLUTION RANGE LOW       (A) : 60.000                             
REMARK 200  REJECTION CRITERIA  (SIGMA(I)) : NULL                               
REMARK 200                                                                      
REMARK 200 OVERALL.                                                             
REMARK 200  COMPLETENESS FOR RANGE     (%) : 94.5                               
REMARK 200  DATA REDUNDANCY                : 2.800                              
REMARK 200  R MERGE                    (I) : 0.14100                            
REMARK 200  R SYM                      (I) : NULL                               
REMARK 200   FOR THE DATA SET  : 7.7000                             
REMARK 200                                                                      
REMARK 200 IN THE HIGHEST RESOLUTION SHELL.                                     
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 2.60                     
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE LOW  (A) : 2.64                     
REMARK 200  COMPLETENESS FOR SHELL     (%) : 79.6                               
REMARK 200  DATA REDUNDANCY IN SHELL       : 1.80                               
REMARK 200  R MERGE FOR SHELL          (I) : 0.41100                            
REMARK 200  R SYM FOR SHELL            (I) : NULL                               
REMARK 200   FOR SHELL         : NULL                               
REMARK 200                                                                      
REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH                              
REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MOLECULAR REPLACEMENT        
REMARK 200 SOFTWARE USED: PHASER 2.5.1                                          
REMARK 200 STARTING MODEL: 3AIM                                                 
REMARK 200                                                                      
REMARK 200 REMARK: NULL                                                         
REMARK 280                                                                      
REMARK 280 CRYSTAL                                                              
REMARK 280 SOLVENT CONTENT, VS   (%): 50.41                                     
REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.48                     
REMARK 280                                                                      
REMARK 280 CRYSTALLIZATION CONDITIONS: 0.1M HEPES PH7.5, 70%(V/V) MPD, VAPOR    
REMARK 280  DIFFUSION, SITTING DROP, TEMPERATURE 293K                           
REMARK 290                                                                      
REMARK 290 CRYSTALLOGRAPHIC SYMMETRY                                            
REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 1 21 1                         
REMARK 290                                                                      
REMARK 290      SYMOP   SYMMETRY                                                
REMARK 290     NNNMMM   OPERATOR                                                
REMARK 290       1555   X,Y,Z                                                   
REMARK 290       2555   -X,Y+1/2,-Z                                             
REMARK 290                                                                      
REMARK 290     WHERE NNN -> OPERATOR NUMBER                                     
REMARK 290           MMM -> TRANSLATION VECTOR                                  
REMARK 290                                                                      
REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS                            
REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM             
REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY                
REMARK 290 RELATED MOLECULES.                                                   
REMARK 290   SMTRY1   1  1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY2   1  0.000000  1.000000  0.000000        0.00000            
REMARK 290   SMTRY3   1  0.000000  0.000000  1.000000        0.00000            
REMARK 290   SMTRY1   2 -1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY2   2  0.000000  1.000000  0.000000       54.65450            
REMARK 290   SMTRY3   2  0.000000  0.000000 -1.000000        0.00000            
REMARK 290                                                                      
REMARK 290 REMARK: NULL                                                         
REMARK 300                                                                      
REMARK 300 BIOMOLECULE: 1                                                       
REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM                
REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN                  
REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON               
REMARK 300 BURIED SURFACE AREA.                                                 
REMARK 350                                                                      
REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN           
REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE                
REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS          
REMARK 350 GIVEN BELOW.  BOTH NON-CRYSTALLOGRAPHIC AND                          
REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN.                               
REMARK 350                                                                      
REMARK 350 BIOMOLECULE: 1                                                       
REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: TETRAMERIC                        
REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: TETRAMERIC                 
REMARK 350 SOFTWARE USED: PISA                                                  
REMARK 350 TOTAL BURIED SURFACE AREA: 11170 ANGSTROM**2                         
REMARK 350 SURFACE AREA OF THE COMPLEX: 41520 ANGSTROM**2                       
REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -44.0 KCAL/MOL                        
REMARK 350 APPLY THE FOLLOWING TO CHAINS: A, B, C, D                            
REMARK 350   BIOMT1   1  1.000000  0.000000  0.000000        0.00000            
REMARK 350   BIOMT2   1  0.000000  1.000000  0.000000        0.00000            
REMARK 350   BIOMT3   1  0.000000  0.000000  1.000000        0.00000            
REMARK 465                                                                      
REMARK 465 MISSING RESIDUES                                                     
REMARK 465 THE FOLLOWING RESIDUES WERE NOT LOCATED IN THE                       
REMARK 465 EXPERIMENT. (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN               
REMARK 465 IDENTIFIER; SSSEQ=SEQUENCE NUMBER; I=INSERTION CODE.)                
REMARK 465                                                                      
REMARK 465   M RES C SSSEQI                                                     
REMARK 465     LYS B   306                                                      
REMARK 465     ILE C    20                                                      
REMARK 465     ASP C    21                                                      
REMARK 465     PHE C    22                                                      
REMARK 465     THR C    23                                                      
REMARK 465     LYS C    24                                                      
REMARK 470                                                                      
REMARK 470 MISSING ATOM                                                         
REMARK 470 THE FOLLOWING RESIDUES HAVE MISSING ATOMS (M=MODEL NUMBER;           
REMARK 470 RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER;          
REMARK 470 I=INSERTION CODE):                                                   
REMARK 470   M RES CSSEQI  ATOMS                                                
REMARK 470     LYS A 306    CG   CD   CE   NZ                                   
REMARK 500                                                                      
REMARK 500 GEOMETRY AND STEREOCHEMISTRY                                         
REMARK 500 SUBTOPIC: COVALENT BOND ANGLES                                       
REMARK 500                                                                      
REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES              
REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE               
REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN               
REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE).                 
REMARK 500                                                                      
REMARK 500 STANDARD TABLE:                                                      
REMARK 500 FORMAT: (10X,I3,1X,A3,1X,A1,I4,A1,3(1X,A4,2X),12X,F5.1)              
REMARK 500                                                                      
REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999                        
REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996                     
REMARK 500                                                                      
REMARK 500  M RES CSSEQI ATM1   ATM2   ATM3                                     
REMARK 500    ARG C 254   NE  -  CZ  -  NH2 ANGL. DEV. =  -3.2 DEGREES          
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 500                                                                      
REMARK 500 GEOMETRY AND STEREOCHEMISTRY                                         
REMARK 500 SUBTOPIC: TORSION ANGLES                                             
REMARK 500                                                                      
REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS:            
REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER;               
REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE).                             
REMARK 500                                                                      
REMARK 500 STANDARD TABLE:                                                      
REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2)                    
REMARK 500                                                                      
REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI-           
REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400            
REMARK 500                                                                      
REMARK 500  M RES CSSEQI        PSI       PHI                                   
REMARK 500    TRP A  86       -0.90     62.75                                   
REMARK 500    SER A 156     -109.11     68.62                                   
REMARK 500    VAL A 183       49.99     34.96                                   
REMARK 500    LYS A 200      114.82   -167.87                                   
REMARK 500    TYR A 202       50.69   -147.99                                   
REMARK 500    PHE A 203      -65.65     66.59                                   
REMARK 500    TYR A 250       47.87   -106.77                                   
REMARK 500    SER B 156     -110.58     69.67                                   
REMARK 500    VAL B 183       48.90     39.21                                   
REMARK 500    PHE B 203      -65.07     69.68                                   
REMARK 500    TYR B 250       51.31   -109.25                                   
REMARK 500    SER C 156     -106.78     69.97                                   
REMARK 500    PHE C 203      -69.08     66.40                                   
REMARK 500    TRP D  86       -3.49     65.48                                   
REMARK 500    SER D 156     -108.65     64.64                                   
REMARK 500    VAL D 183       48.10     39.53                                   
REMARK 500    PHE D 203      -67.33     67.14                                   
REMARK 500    TYR D 250       49.41   -108.19                                   
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
DBREF  5L2P A    1   306  UNP    B5BLW5   ARE_SULSF        1    306             
DBREF  5L2P B    1   306  UNP    B5BLW5   ARE_SULSF        1    306             
DBREF  5L2P C    1   306  UNP    B5BLW5   ARE_SULSF        1    306             
DBREF  5L2P D    1   306  UNP    B5BLW5   ARE_SULSF        1    306             
SEQRES   1 A  306  MET PRO LEU ASP PRO GLU VAL ARG ASN PHE LEU GLN VAL          
SEQRES   2 A  306  TYR TYR LYS ALA ASN ILE ILE ASP PHE THR LYS TYR GLN          
SEQRES   3 A  306  PHE GLN GLU ILE ARG GLN LYS VAL ASN GLU LEU LEU ALA          
SEQRES   4 A  306  LYS ALA VAL PRO LYS ASP PRO VAL GLY GLU THR ARG ASP          
SEQRES   5 A  306  MET LYS ILE LYS LEU GLU ASP TYR GLU LEU PRO ILE ARG          
SEQRES   6 A  306  ILE TYR SER PRO ILE LYS ARG THR ASN ASN GLY LEU VAL          
SEQRES   7 A  306  MET HIS PHE HIS GLY GLY ALA TRP ILE LEU GLY SER ILE          
SEQRES   8 A  306  GLU THR GLU ASP ALA ILE SER ARG ILE LEU SER ASN SER          
SEQRES   9 A  306  CYS GLU CYS THR VAL ILE SER VAL ASP TYR ARG LEU ALA          
SEQRES  10 A  306  PRO GLU TYR LYS PHE PRO THR ALA VAL TYR ASP CYS PHE          
SEQRES  11 A  306  ASN ALA ILE VAL TRP ALA ARG ASP ASN ALA GLY GLU LEU          
SEQRES  12 A  306  GLY ILE ASP LYS ASP LYS ILE ALA THR PHE GLY ILE SER          
SEQRES  13 A  306  ALA GLY GLY ASN LEU VAL ALA ALA THR SER LEU LEU ALA          
SEQRES  14 A  306  ARG ASP ASN LYS LEU LYS LEU THR ALA GLN VAL PRO VAL          
SEQRES  15 A  306  VAL PRO PHE VAL TYR LEU ASP LEU ALA SER LYS SER MET          
SEQRES  16 A  306  ASN ARG TYR ARG LYS GLY TYR PHE LEU ASP ILE ASN LEU          
SEQRES  17 A  306  PRO VAL ASP TYR GLY VAL LYS MET TYR ILE ARG ASP GLU          
SEQRES  18 A  306  LYS ASP LEU TYR ASN PRO LEU PHE SER PRO LEU ILE ALA          
SEQRES  19 A  306  GLU ASP LEU SER ASN LEU PRO GLN ALA ILE VAL VAL THR          
SEQRES  20 A  306  ALA GLU TYR ASP PRO LEU ARG ASP GLN GLY GLU ALA TYR          
SEQRES  21 A  306  ALA TYR ARG LEU MET GLU SER GLY VAL PRO THR LEU SER          
SEQRES  22 A  306  PHE ARG VAL ASN GLY ASN VAL HIS ALA PHE LEU GLY SER          
SEQRES  23 A  306  PRO ARG THR SER ARG GLN VAL THR VAL MET ILE GLY ALA          
SEQRES  24 A  306  LEU LEU LYS ASP ILE PHE LYS                                  
SEQRES   1 B  306  MET PRO LEU ASP PRO GLU VAL ARG ASN PHE LEU GLN VAL          
SEQRES   2 B  306  TYR TYR LYS ALA ASN ILE ILE ASP PHE THR LYS TYR GLN          
SEQRES   3 B  306  PHE GLN GLU ILE ARG GLN LYS VAL ASN GLU LEU LEU ALA          
SEQRES   4 B  306  LYS ALA VAL PRO LYS ASP PRO VAL GLY GLU THR ARG ASP          
SEQRES   5 B  306  MET LYS ILE LYS LEU GLU ASP TYR GLU LEU PRO ILE ARG          
SEQRES   6 B  306  ILE TYR SER PRO ILE LYS ARG THR ASN ASN GLY LEU VAL          
SEQRES   7 B  306  MET HIS PHE HIS GLY GLY ALA TRP ILE LEU GLY SER ILE          
SEQRES   8 B  306  GLU THR GLU ASP ALA ILE SER ARG ILE LEU SER ASN SER          
SEQRES   9 B  306  CYS GLU CYS THR VAL ILE SER VAL ASP TYR ARG LEU ALA          
SEQRES  10 B  306  PRO GLU TYR LYS PHE PRO THR ALA VAL TYR ASP CYS PHE          
SEQRES  11 B  306  ASN ALA ILE VAL TRP ALA ARG ASP ASN ALA GLY GLU LEU          
SEQRES  12 B  306  GLY ILE ASP LYS ASP LYS ILE ALA THR PHE GLY ILE SER          
SEQRES  13 B  306  ALA GLY GLY ASN LEU VAL ALA ALA THR SER LEU LEU ALA          
SEQRES  14 B  306  ARG ASP ASN LYS LEU LYS LEU THR ALA GLN VAL PRO VAL          
SEQRES  15 B  306  VAL PRO PHE VAL TYR LEU ASP LEU ALA SER LYS SER MET          
SEQRES  16 B  306  ASN ARG TYR ARG LYS GLY TYR PHE LEU ASP ILE ASN LEU          
SEQRES  17 B  306  PRO VAL ASP TYR GLY VAL LYS MET TYR ILE ARG ASP GLU          
SEQRES  18 B  306  LYS ASP LEU TYR ASN PRO LEU PHE SER PRO LEU ILE ALA          
SEQRES  19 B  306  GLU ASP LEU SER ASN LEU PRO GLN ALA ILE VAL VAL THR          
SEQRES  20 B  306  ALA GLU TYR ASP PRO LEU ARG ASP GLN GLY GLU ALA TYR          
SEQRES  21 B  306  ALA TYR ARG LEU MET GLU SER GLY VAL PRO THR LEU SER          
SEQRES  22 B  306  PHE ARG VAL ASN GLY ASN VAL HIS ALA PHE LEU GLY SER          
SEQRES  23 B  306  PRO ARG THR SER ARG GLN VAL THR VAL MET ILE GLY ALA          
SEQRES  24 B  306  LEU LEU LYS ASP ILE PHE LYS                                  
SEQRES   1 C  306  MET PRO LEU ASP PRO GLU VAL ARG ASN PHE LEU GLN VAL          
SEQRES   2 C  306  TYR TYR LYS ALA ASN ILE ILE ASP PHE THR LYS TYR GLN          
SEQRES   3 C  306  PHE GLN GLU ILE ARG GLN LYS VAL ASN GLU LEU LEU ALA          
SEQRES   4 C  306  LYS ALA VAL PRO LYS ASP PRO VAL GLY GLU THR ARG ASP          
SEQRES   5 C  306  MET LYS ILE LYS LEU GLU ASP TYR GLU LEU PRO ILE ARG          
SEQRES   6 C  306  ILE TYR SER PRO ILE LYS ARG THR ASN ASN GLY LEU VAL          
SEQRES   7 C  306  MET HIS PHE HIS GLY GLY ALA TRP ILE LEU GLY SER ILE          
SEQRES   8 C  306  GLU THR GLU ASP ALA ILE SER ARG ILE LEU SER ASN SER          
SEQRES   9 C  306  CYS GLU CYS THR VAL ILE SER VAL ASP TYR ARG LEU ALA          
SEQRES  10 C  306  PRO GLU TYR LYS PHE PRO THR ALA VAL TYR ASP CYS PHE          
SEQRES  11 C  306  ASN ALA ILE VAL TRP ALA ARG ASP ASN ALA GLY GLU LEU          
SEQRES  12 C  306  GLY ILE ASP LYS ASP LYS ILE ALA THR PHE GLY ILE SER          
SEQRES  13 C  306  ALA GLY GLY ASN LEU VAL ALA ALA THR SER LEU LEU ALA          
SEQRES  14 C  306  ARG ASP ASN LYS LEU LYS LEU THR ALA GLN VAL PRO VAL          
SEQRES  15 C  306  VAL PRO PHE VAL TYR LEU ASP LEU ALA SER LYS SER MET          
SEQRES  16 C  306  ASN ARG TYR ARG LYS GLY TYR PHE LEU ASP ILE ASN LEU          
SEQRES  17 C  306  PRO VAL ASP TYR GLY VAL LYS MET TYR ILE ARG ASP GLU          
SEQRES  18 C  306  LYS ASP LEU TYR ASN PRO LEU PHE SER PRO LEU ILE ALA          
SEQRES  19 C  306  GLU ASP LEU SER ASN LEU PRO GLN ALA ILE VAL VAL THR          
SEQRES  20 C  306  ALA GLU TYR ASP PRO LEU ARG ASP GLN GLY GLU ALA TYR          
SEQRES  21 C  306  ALA TYR ARG LEU MET GLU SER GLY VAL PRO THR LEU SER          
SEQRES  22 C  306  PHE ARG VAL ASN GLY ASN VAL HIS ALA PHE LEU GLY SER          
SEQRES  23 C  306  PRO ARG THR SER ARG GLN VAL THR VAL MET ILE GLY ALA          
SEQRES  24 C  306  LEU LEU LYS ASP ILE PHE LYS                                  
SEQRES   1 D  306  MET PRO LEU ASP PRO GLU VAL ARG ASN PHE LEU GLN VAL          
SEQRES   2 D  306  TYR TYR LYS ALA ASN ILE ILE ASP PHE THR LYS TYR GLN          
SEQRES   3 D  306  PHE GLN GLU ILE ARG GLN LYS VAL ASN GLU LEU LEU ALA          
SEQRES   4 D  306  LYS ALA VAL PRO LYS ASP PRO VAL GLY GLU THR ARG ASP          
SEQRES   5 D  306  MET LYS ILE LYS LEU GLU ASP TYR GLU LEU PRO ILE ARG          
SEQRES   6 D  306  ILE TYR SER PRO ILE LYS ARG THR ASN ASN GLY LEU VAL          
SEQRES   7 D  306  MET HIS PHE HIS GLY GLY ALA TRP ILE LEU GLY SER ILE          
SEQRES   8 D  306  GLU THR GLU ASP ALA ILE SER ARG ILE LEU SER ASN SER          
SEQRES   9 D  306  CYS GLU CYS THR VAL ILE SER VAL ASP TYR ARG LEU ALA          
SEQRES  10 D  306  PRO GLU TYR LYS PHE PRO THR ALA VAL TYR ASP CYS PHE          
SEQRES  11 D  306  ASN ALA ILE VAL TRP ALA ARG ASP ASN ALA GLY GLU LEU          
SEQRES  12 D  306  GLY ILE ASP LYS ASP LYS ILE ALA THR PHE GLY ILE SER          
SEQRES  13 D  306  ALA GLY GLY ASN LEU VAL ALA ALA THR SER LEU LEU ALA          
SEQRES  14 D  306  ARG ASP ASN LYS LEU LYS LEU THR ALA GLN VAL PRO VAL          
SEQRES  15 D  306  VAL PRO PHE VAL TYR LEU ASP LEU ALA SER LYS SER MET          
SEQRES  16 D  306  ASN ARG TYR ARG LYS GLY TYR PHE LEU ASP ILE ASN LEU          
SEQRES  17 D  306  PRO VAL ASP TYR GLY VAL LYS MET TYR ILE ARG ASP GLU          
SEQRES  18 D  306  LYS ASP LEU TYR ASN PRO LEU PHE SER PRO LEU ILE ALA          
SEQRES  19 D  306  GLU ASP LEU SER ASN LEU PRO GLN ALA ILE VAL VAL THR          
SEQRES  20 D  306  ALA GLU TYR ASP PRO LEU ARG ASP GLN GLY GLU ALA TYR          
SEQRES  21 D  306  ALA TYR ARG LEU MET GLU SER GLY VAL PRO THR LEU SER          
SEQRES  22 D  306  PHE ARG VAL ASN GLY ASN VAL HIS ALA PHE LEU GLY SER          
SEQRES  23 D  306  PRO ARG THR SER ARG GLN VAL THR VAL MET ILE GLY ALA          
SEQRES  24 D  306  LEU LEU LYS ASP ILE PHE LYS                                  
HELIX    1 AA1 ASP A    4  ASN A   18  1                                  15    
HELIX    2 AA2 GLN A   26  LYS A   40  1                                  15    
HELIX    3 AA3 GLU A   94  GLU A  106  1                                  13    
HELIX    4 AA4 PRO A  123  ASN A  139  1                                  17    
HELIX    5 AA5 ASN A  139  GLY A  144  1                                   6    
HELIX    6 AA6 SER A  156  ASN A  172  1                                  17    
HELIX    7 AA7 SER A  192  TYR A  198  1                                   7    
HELIX    8 AA8 ASP A  211  ILE A  218  1                                   8    
HELIX    9 AA9 ASP A  220  ASN A  226  5                                   7    
HELIX   10 AB1 SER A  230  ALA A  234  5                                   5    
HELIX   11 AB2 LEU A  253  SER A  267  1                                  15    
HELIX   12 AB3 ALA A  282  LEU A  284  5                                   3    
HELIX   13 AB4 SER A  286  LYS A  306  1                                  21    
HELIX   14 AB5 ASP B    4  ASN B   18  1                                  15    
HELIX   15 AB6 GLN B   26  LYS B   40  1                                  15    
HELIX   16 AB7 GLU B   94  GLU B  106  1                                  13    
HELIX   17 AB8 PRO B  123  ASN B  139  1                                  17    
HELIX   18 AB9 ASN B  139  GLY B  144  1                                   6    
HELIX   19 AC1 ASP B  146  ASP B  148  5                                   3    
HELIX   20 AC2 SER B  156  ASN B  172  1                                  17    
HELIX   21 AC3 SER B  192  ARG B  199  1                                   8    
HELIX   22 AC4 ASP B  211  ILE B  218  1                                   8    
HELIX   23 AC5 ASP B  220  ASN B  226  5                                   7    
HELIX   24 AC6 SER B  230  ALA B  234  5                                   5    
HELIX   25 AC7 LEU B  253  SER B  267  1                                  15    
HELIX   26 AC8 ALA B  282  LEU B  284  5                                   3    
HELIX   27 AC9 SER B  286  PHE B  305  1                                  20    
HELIX   28 AD1 ASP C    4  ASN C   18  1                                  15    
HELIX   29 AD2 GLN C   26  LYS C   40  1                                  15    
HELIX   30 AD3 GLU C   94  GLU C  106  1                                  13    
HELIX   31 AD4 PRO C  123  ASN C  139  1                                  17    
HELIX   32 AD5 ASN C  139  GLY C  144  1                                   6    
HELIX   33 AD6 SER C  156  ASN C  172  1                                  17    
HELIX   34 AD7 SER C  192  ARG C  199  1                                   8    
HELIX   35 AD8 ASP C  211  ILE C  218  1                                   8    
HELIX   36 AD9 ASP C  220  ASN C  226  5                                   7    
HELIX   37 AE1 SER C  230  ALA C  234  5                                   5    
HELIX   38 AE2 LEU C  253  SER C  267  1                                  15    
HELIX   39 AE3 VAL C  280  LEU C  284  5                                   5    
HELIX   40 AE4 SER C  286  PHE C  305  1                                  20    
HELIX   41 AE5 ASP D    4  ASN D   18  1                                  15    
HELIX   42 AE6 GLN D   26  LYS D   40  1                                  15    
HELIX   43 AE7 GLU D   94  GLU D  106  1                                  13    
HELIX   44 AE8 PRO D  123  ASN D  139  1                                  17    
HELIX   45 AE9 ASN D  139  GLY D  144  1                                   6    
HELIX   46 AF1 ASP D  146  ASP D  148  5                                   3    
HELIX   47 AF2 SER D  156  ASN D  172  1                                  17    
HELIX   48 AF3 SER D  192  ARG D  199  1                                   8    
HELIX   49 AF4 ASP D  211  ILE D  218  1                                   8    
HELIX   50 AF5 ASP D  220  ASN D  226  5                                   7    
HELIX   51 AF6 SER D  230  ALA D  234  5                                   5    
HELIX   52 AF7 LEU D  253  SER D  267  1                                  15    
HELIX   53 AF8 ALA D  282  LEU D  284  5                                   3    
HELIX   54 AF9 SER D  286  PHE D  305  1                                  20    
SHEET    1 AA116 GLU A  49  LYS A  56  0                                        
SHEET    2 AA116 GLU A  61  SER A  68 -1  O  LEU A  62   N  ILE A  55           
SHEET    3 AA116 THR A 108  VAL A 112 -1  O  VAL A 109   N  TYR A  67           
SHEET    4 AA116 LEU A  77  PHE A  81  1  N  HIS A  80   O  ILE A 110           
SHEET    5 AA116 ILE A 150  ILE A 155  1  O  ALA A 151   N  MET A  79           
SHEET    6 AA116 ALA A 178  VAL A 182  1  O  VAL A 182   N  GLY A 154           
SHEET    7 AA116 GLN A 242  TYR A 250  1  O  ILE A 244   N  GLN A 179           
SHEET    8 AA116 THR A 271  VAL A 280  1  O  VAL A 276   N  THR A 247           
SHEET    9 AA116 THR B 271  VAL B 280 -1  O  SER B 273   N  ASN A 277           
SHEET   10 AA116 GLN B 242  TYR B 250  1  N  THR B 247   O  VAL B 276           
SHEET   11 AA116 ALA B 178  VAL B 182  1  N  GLN B 179   O  ILE B 244           
SHEET   12 AA116 ILE B 150  ILE B 155  1  N  GLY B 154   O  VAL B 182           
SHEET   13 AA116 LEU B  77  PHE B  81  1  N  LEU B  77   O  ALA B 151           
SHEET   14 AA116 THR B 108  VAL B 112  1  O  ILE B 110   N  HIS B  80           
SHEET   15 AA116 GLU B  61  SER B  68 -1  N  TYR B  67   O  VAL B 109           
SHEET   16 AA116 GLU B  49  LYS B  56 -1  N  ARG B  51   O  ILE B  66           
SHEET    1 AA216 GLU C  49  LYS C  56  0                                        
SHEET    2 AA216 GLU C  61  SER C  68 -1  O  ILE C  66   N  ARG C  51           
SHEET    3 AA216 THR C 108  VAL C 112 -1  O  VAL C 109   N  TYR C  67           
SHEET    4 AA216 LEU C  77  PHE C  81  1  N  HIS C  80   O  ILE C 110           
SHEET    5 AA216 ILE C 150  ILE C 155  1  O  ALA C 151   N  LEU C  77           
SHEET    6 AA216 ALA C 178  VAL C 182  1  O  VAL C 182   N  GLY C 154           
SHEET    7 AA216 GLN C 242  ALA C 248  1  O  GLN C 242   N  GLN C 179           
SHEET    8 AA216 THR C 271  VAL C 276  1  O  VAL C 276   N  THR C 247           
SHEET    9 AA216 THR D 271  VAL D 280 -1  O  ASN D 277   N  SER C 273           
SHEET   10 AA216 GLN D 242  TYR D 250  1  N  THR D 247   O  VAL D 276           
SHEET   11 AA216 ALA D 178  VAL D 182  1  N  GLN D 179   O  GLN D 242           
SHEET   12 AA216 ILE D 150  ILE D 155  1  N  GLY D 154   O  VAL D 182           
SHEET   13 AA216 LEU D  77  PHE D  81  1  N  LEU D  77   O  ALA D 151           
SHEET   14 AA216 THR D 108  VAL D 112  1  O  ILE D 110   N  HIS D  80           
SHEET   15 AA216 GLU D  61  SER D  68 -1  N  TYR D  67   O  VAL D 109           
SHEET   16 AA216 GLU D  49  LYS D  56 -1  N  ARG D  51   O  ILE D  66           
CISPEP   1 ALA A  117    PRO A  118          0        -2.11                     
CISPEP   2 PHE A  122    PRO A  123          0         5.10                     
CISPEP   3 LEU A  208    PRO A  209          0         5.75                     
CISPEP   4 ALA B  117    PRO B  118          0         3.27                     
CISPEP   5 PHE B  122    PRO B  123          0         3.49                     
CISPEP   6 LEU B  208    PRO B  209          0         2.97                     
CISPEP   7 ALA C  117    PRO C  118          0         2.16                     
CISPEP   8 PHE C  122    PRO C  123          0         6.45                     
CISPEP   9 LEU C  208    PRO C  209          0         4.23                     
CISPEP  10 ALA D  117    PRO D  118          0         1.00                     
CISPEP  11 PHE D  122    PRO D  123          0         2.70                     
CISPEP  12 LEU D  208    PRO D  209          0         3.76                     
CRYST1   73.913  109.309   90.044  90.00 109.37  90.00 P 1 21 1      8          
ORIGX1      1.000000  0.000000  0.000000        0.00000                         
ORIGX2      0.000000  1.000000  0.000000        0.00000                         
ORIGX3      0.000000  0.000000  1.000000        0.00000                         
SCALE1      0.013529  0.000000  0.004757        0.00000                         
SCALE2      0.000000  0.009148  0.000000        0.00000                         
SCALE3      0.000000  0.000000  0.011772        0.00000                         
TER    2432      LYS A 306                                                      
TER    4859      PHE B 305                                                      
TER    7252      LYS C 306                                                      
TER    9688      LYS D 306                                                      
MASTER      809    0    0   54   32    0    0    6 9684    4    0   96          
END                                                                             

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Mail to: Nicolas Lenfant, Thierry Hotelier, Yves Bourne, Pascale Marchot and Arnaud Chatonnet.
Please cite: Lenfant 2013 Nucleic.Acids.Res. or Marchot Chatonnet 2012 Prot.Pept Lett.
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