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Database: PDB
Entry: 1D0R
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HEADER    HORMONE/GROWTH FACTOR                   14-SEP-99   1D0R              
TITLE     SOLUTION STRUCTURE OF GLUCAGON-LIKE PEPTIDE-1-(7-36)-AMIDE IN         
TITLE    2 TRIFLUOROETHANOL/WATER                                               
COMPND    MOL_ID: 1;                                                            
COMPND   2 MOLECULE: GLUCAGON-LIKE PEPTIDE-1-(7-36)-AMIDE;                      
COMPND   3 CHAIN: A;                                                            
COMPND   4 ENGINEERED: YES;                                                     
COMPND   5 OTHER_DETAILS: RECOMBINANT FORM                                      
SOURCE    MOL_ID: 1;                                                            
SOURCE   2 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
SOURCE   3 ORGANISM_COMMON: HUMAN;                                              
SOURCE   4 ORGANISM_TAXID: 9606;                                                
SOURCE   5 EXPRESSION_SYSTEM: SACCHAROMYCES CEREVISIAE;                         
SOURCE   6 EXPRESSION_SYSTEM_COMMON: BAKER'S YEAST;                             
SOURCE   7 EXPRESSION_SYSTEM_TAXID: 4932                                        
KEYWDS    SYNTHETIC HORMONE, HORMONE-GROWTH FACTOR COMPLEX                      
EXPDTA    SOLUTION NMR                                                          
NUMMDL    20                                                                    
AUTHOR    X.CHANG,D.KELLER,S.BJORN,J.J.LED                                      
REVDAT   4   31-JAN-18 1D0R    1       JRNL   REMARK                            
REVDAT   3   24-FEB-09 1D0R    1       VERSN                                    
REVDAT   2   23-OCT-02 1D0R    1       HEADER                                   
REVDAT   1   16-OCT-02 1D0R    0                                                
JRNL        AUTH   X.CHANG,D.KELLER,S.BJORN,J.J.LED                             
JRNL        TITL   STRUCTURE AND FOLDING OF GLUCAGON-LIKE                       
JRNL        TITL 2 PEPTIDE-1-(7-36)-AMIDE IN TRIFLUOROETHANOL STUDIED BY NMR    
JRNL        REF    MAGN.RESON.CHEM.              V.  39   477 2001              
JRNL        REFN                   ISSN 0749-1581                               
JRNL        DOI    10.1002/MRC.880                                              
REMARK   1                                                                      
REMARK   1 REFERENCE 1                                                          
REMARK   1  AUTH   X.CHANG,D.KELLER,S.I.O'DONOGHUE,J.J.LED                      
REMARK   1  TITL   NMR STUDIES OF THE AGGREGATION OF GLUCAGON-LIKE PEPTIDE-1:   
REMARK   1  TITL 2 FORMATION OF A SYMMETRIC HELICAL DIMER                       
REMARK   1  REF    FEBS LETT.                    V. 515   165 2002              
REMARK   1  REFN                   ISSN 0014-5793                               
REMARK   1  DOI    10.1016/S0014-5793(02)02466-3                                
REMARK   2                                                                      
REMARK   2 RESOLUTION. NOT APPLICABLE.                                          
REMARK   3                                                                      
REMARK   3 REFINEMENT.                                                          
REMARK   3   PROGRAM     : X-PLOR 3.1                                           
REMARK   3   AUTHORS     : BRUNGER                                              
REMARK   3                                                                      
REMARK   3  OTHER REFINEMENT REMARKS:                                           
REMARK   3  THE STRUCTURES ARE BASED ON 280 NOE-DERIVED DISTANCE CONSTRAINTS,   
REMARK   3  AND 24                                                              
REMARK   3  DISTANCE RESTRAINTS FROM HYDROGEN BONDS                             
REMARK   4                                                                      
REMARK   4 1D0R COMPLIES WITH FORMAT V. 3.15, 01-DEC-08                         
REMARK 100                                                                      
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 20-SEP-99.                  
REMARK 100 THE DEPOSITION ID IS D_1000009690.                                   
REMARK 210                                                                      
REMARK 210 EXPERIMENTAL DETAILS                                                 
REMARK 210  EXPERIMENT TYPE                : NMR                                
REMARK 210  TEMPERATURE           (KELVIN) : 300                                
REMARK 210  PH                             : 2.5                                
REMARK 210  IONIC STRENGTH                 : NULL                               
REMARK 210  PRESSURE                       : AMBIENT                            
REMARK 210  SAMPLE CONTENTS                : 1.4MM GLUCAGON-LIKE PEPTIDE 1-(7   
REMARK 210                                   -36)-AMIDE; 1.4MM GLUCAGON-LIKE    
REMARK 210                                   PEPTIDE 1-(7-36)-AMIDE             
REMARK 210                                                                      
REMARK 210  NMR EXPERIMENTS CONDUCTED      : 2D NOESY; DQF-COSY; TOCSY          
REMARK 210  SPECTROMETER FIELD STRENGTH    : 500 MHZ; 750 MHZ                   
REMARK 210  SPECTROMETER MODEL             : AM; INOVA                          
REMARK 210  SPECTROMETER MANUFACTURER      : BRUKER; VARIAN                     
REMARK 210                                                                      
REMARK 210  STRUCTURE DETERMINATION.                                            
REMARK 210   SOFTWARE USED                 : X-PLOR 3.1                         
REMARK 210   METHOD USED                   : DISTANCE GEOMETRY, SIMULATED       
REMARK 210                                   ANNEALING, RESTRAINED MOLECULAR    
REMARK 210                                   DYNAMICS                           
REMARK 210                                                                      
REMARK 210 CONFORMERS, NUMBER CALCULATED   : 40                                 
REMARK 210 CONFORMERS, NUMBER SUBMITTED    : 20                                 
REMARK 210 CONFORMERS, SELECTION CRITERIA  : STRUCTURES WITH THE LOWEST         
REMARK 210                                   ENERGY                             
REMARK 210                                                                      
REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : 10                  
REMARK 210                                                                      
REMARK 210 REMARK: THIS STRUCTURE WAS DETERMINED USING STANDARD 2D              
REMARK 210  HOMONUCLEAR TECHNIQUES.                                             
REMARK 215                                                                      
REMARK 215 NMR STUDY                                                            
REMARK 215 THE COORDINATES IN THIS ENTRY WERE GENERATED FROM SOLUTION           
REMARK 215 NMR DATA.  PROTEIN DATA BANK CONVENTIONS REQUIRE THAT                
REMARK 215 CRYST1 AND SCALE RECORDS BE INCLUDED, BUT THE VALUES ON              
REMARK 215 THESE RECORDS ARE MEANINGLESS.                                       
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: MONOMERIC                         
REMARK 350 APPLY THE FOLLOWING TO CHAINS: A                                     
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 500                                                                      
REMARK 500 GEOMETRY AND STEREOCHEMISTRY                                         
REMARK 500 SUBTOPIC: COVALENT BOND LENGTHS                                      
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,2(A3,1X,A1,I4,A1,1X,A4,3X),1X,F6.3)               
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   RES CSSEQI ATM2   DEVIATION                     
REMARK 500  1 GLU A   3   CB    GLU A   3   CG      0.116                       
REMARK 500  1 ARG A  30   CZ    ARG A  30   NH1    -0.080                       
REMARK 500  1 ARG A  30   CZ    ARG A  30   NH2    -0.080                       
REMARK 500  2 ARG A  30   CZ    ARG A  30   NH1    -0.082                       
REMARK 500  3 ARG A  30   CZ    ARG A  30   NH1    -0.091                       
REMARK 500  4 ARG A  30   CZ    ARG A  30   NH1    -0.086                       
REMARK 500  4 ARG A  30   CZ    ARG A  30   NH2    -0.079                       
REMARK 500  5 ARG A  30   CZ    ARG A  30   NH1    -0.081                       
REMARK 500  5 ARG A  30   CZ    ARG A  30   NH2    -0.086                       
REMARK 500  6 ARG A  30   CZ    ARG A  30   NH1    -0.083                       
REMARK 500  7 ARG A  30   CZ    ARG A  30   NH1    -0.080                       
REMARK 500  7 ARG A  30   CZ    ARG A  30   NH2    -0.079                       
REMARK 500  9 TRP A  25   CG    TRP A  25   CD2    -0.108                       
REMARK 500  9 ARG A  30   CZ    ARG A  30   NH1    -0.079                       
REMARK 500  9 ARG A  30   CZ    ARG A  30   NH2    -0.086                       
REMARK 500 10 ARG A  30   CZ    ARG A  30   NH1    -0.084                       
REMARK 500 10 ARG A  30   CZ    ARG A  30   NH2    -0.087                       
REMARK 500 11 ARG A  30   CZ    ARG A  30   NH1    -0.086                       
REMARK 500 11 ARG A  30   CZ    ARG A  30   NH2    -0.082                       
REMARK 500 12 ARG A  30   CZ    ARG A  30   NH1    -0.087                       
REMARK 500 12 ARG A  30   CZ    ARG A  30   NH2    -0.086                       
REMARK 500 13 ARG A  30   CZ    ARG A  30   NH1    -0.084                       
REMARK 500 13 ARG A  30   CZ    ARG A  30   NH2    -0.079                       
REMARK 500 14 ARG A  30   CZ    ARG A  30   NH1    -0.078                       
REMARK 500 15 ARG A  30   CZ    ARG A  30   NH1    -0.085                       
REMARK 500 15 ARG A  30   CZ    ARG A  30   NH2    -0.083                       
REMARK 500 16 ARG A  30   CZ    ARG A  30   NH1    -0.084                       
REMARK 500 16 ARG A  30   CZ    ARG A  30   NH2    -0.084                       
REMARK 500 17 ARG A  30   CZ    ARG A  30   NH1    -0.086                       
REMARK 500 18 ARG A  30   CZ    ARG A  30   NH1    -0.083                       
REMARK 500 19 ARG A  30   CZ    ARG A  30   NH1    -0.086                       
REMARK 500 19 ARG A  30   CZ    ARG A  30   NH2    -0.080                       
REMARK 500 20 ARG A  30   CZ    ARG A  30   NH1    -0.082                       
REMARK 500 20 ARG A  30   CZ    ARG A  30   NH2    -0.091                       
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
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  1 GLY A   4   N   -  CA  -  C   ANGL. DEV. = -15.3 DEGREES          
REMARK 500  1 ASP A   9   CB  -  CG  -  OD2 ANGL. DEV. =  -5.5 DEGREES          
REMARK 500  1 TRP A  25   CG  -  CD1 -  NE1 ANGL. DEV. =  -6.5 DEGREES          
REMARK 500  1 TRP A  25   CD1 -  NE1 -  CE2 ANGL. DEV. =   7.3 DEGREES          
REMARK 500  2 TRP A  25   CG  -  CD1 -  NE1 ANGL. DEV. =  -6.8 DEGREES          
REMARK 500  2 TRP A  25   CD1 -  NE1 -  CE2 ANGL. DEV. =   8.3 DEGREES          
REMARK 500  2 TRP A  25   NE1 -  CE2 -  CZ2 ANGL. DEV. =   7.3 DEGREES          
REMARK 500  3 TRP A  25   CG  -  CD1 -  NE1 ANGL. DEV. =  -6.8 DEGREES          
REMARK 500  3 TRP A  25   CD1 -  NE1 -  CE2 ANGL. DEV. =   7.5 DEGREES          
REMARK 500  3 TRP A  25   NE1 -  CE2 -  CZ2 ANGL. DEV. =   7.5 DEGREES          
REMARK 500  4 TRP A  25   CG  -  CD1 -  NE1 ANGL. DEV. =  -6.9 DEGREES          
REMARK 500  4 TRP A  25   CD1 -  NE1 -  CE2 ANGL. DEV. =   8.2 DEGREES          
REMARK 500  4 TRP A  25   NE1 -  CE2 -  CZ2 ANGL. DEV. =   8.4 DEGREES          
REMARK 500  4 TRP A  25   NE1 -  CE2 -  CD2 ANGL. DEV. =  -6.2 DEGREES          
REMARK 500  5 GLU A  15   N   -  CA  -  CB  ANGL. DEV. = -11.4 DEGREES          
REMARK 500  5 TRP A  25   CG  -  CD1 -  NE1 ANGL. DEV. =  -6.2 DEGREES          
REMARK 500  5 TRP A  25   CD1 -  NE1 -  CE2 ANGL. DEV. =   7.3 DEGREES          
REMARK 500  5 TRP A  25   NE1 -  CE2 -  CZ2 ANGL. DEV. =   8.2 DEGREES          
REMARK 500  5 TRP A  25   NE1 -  CE2 -  CD2 ANGL. DEV. =  -6.1 DEGREES          
REMARK 500  5 ARG A  30   NE  -  CZ  -  NH2 ANGL. DEV. =  -3.4 DEGREES          
REMARK 500  6 TRP A  25   CG  -  CD1 -  NE1 ANGL. DEV. =  -6.7 DEGREES          
REMARK 500  6 TRP A  25   CD1 -  NE1 -  CE2 ANGL. DEV. =   7.5 DEGREES          
REMARK 500  6 TRP A  25   NE1 -  CE2 -  CZ2 ANGL. DEV. =   7.1 DEGREES          
REMARK 500  7 ASP A   9   N   -  CA  -  CB  ANGL. DEV. = -14.8 DEGREES          
REMARK 500  7 TRP A  25   CG  -  CD1 -  NE1 ANGL. DEV. =  -7.2 DEGREES          
REMARK 500  7 TRP A  25   CD1 -  NE1 -  CE2 ANGL. DEV. =   7.9 DEGREES          
REMARK 500  7 TRP A  25   NE1 -  CE2 -  CZ2 ANGL. DEV. =   6.9 DEGREES          
REMARK 500  7 LEU A  26   N   -  CA  -  CB  ANGL. DEV. = -13.3 DEGREES          
REMARK 500  8 TRP A  25   CG  -  CD1 -  NE1 ANGL. DEV. =  -7.3 DEGREES          
REMARK 500  8 TRP A  25   CD1 -  NE1 -  CE2 ANGL. DEV. =   7.7 DEGREES          
REMARK 500  8 TRP A  25   NE1 -  CE2 -  CZ2 ANGL. DEV. =   8.1 DEGREES          
REMARK 500  9 TRP A  25   CG  -  CD1 -  NE1 ANGL. DEV. =  -7.2 DEGREES          
REMARK 500  9 TRP A  25   CD1 -  NE1 -  CE2 ANGL. DEV. =   8.6 DEGREES          
REMARK 500  9 TRP A  25   NE1 -  CE2 -  CZ2 ANGL. DEV. =  12.0 DEGREES          
REMARK 500  9 TRP A  25   NE1 -  CE2 -  CD2 ANGL. DEV. =  -8.2 DEGREES          
REMARK 500  9 TRP A  25   CE2 -  CD2 -  CG  ANGL. DEV. =   5.5 DEGREES          
REMARK 500  9 TRP A  25   CG  -  CD2 -  CE3 ANGL. DEV. =  -9.5 DEGREES          
REMARK 500 10 TRP A  25   CG  -  CD1 -  NE1 ANGL. DEV. =  -6.2 DEGREES          
REMARK 500 10 TRP A  25   CD1 -  NE1 -  CE2 ANGL. DEV. =   7.3 DEGREES          
REMARK 500 10 ARG A  30   NE  -  CZ  -  NH1 ANGL. DEV. =  -3.0 DEGREES          
REMARK 500 11 THR A   5   OG1 -  CB  -  CG2 ANGL. DEV. = -14.1 DEGREES          
REMARK 500 11 TRP A  25   CG  -  CD1 -  NE1 ANGL. DEV. =  -7.2 DEGREES          
REMARK 500 11 TRP A  25   CD1 -  NE1 -  CE2 ANGL. DEV. =   8.2 DEGREES          
REMARK 500 11 TRP A  25   NE1 -  CE2 -  CZ2 ANGL. DEV. =  10.2 DEGREES          
REMARK 500 11 TRP A  25   NE1 -  CE2 -  CD2 ANGL. DEV. =  -7.1 DEGREES          
REMARK 500 11 TRP A  25   CG  -  CD2 -  CE3 ANGL. DEV. =  -7.0 DEGREES          
REMARK 500 11 ARG A  30   NE  -  CZ  -  NH1 ANGL. DEV. =  -4.0 DEGREES          
REMARK 500 12 TRP A  25   CG  -  CD1 -  NE1 ANGL. DEV. =  -7.1 DEGREES          
REMARK 500 12 TRP A  25   CD1 -  NE1 -  CE2 ANGL. DEV. =   7.8 DEGREES          
REMARK 500 12 TRP A  25   NE1 -  CE2 -  CZ2 ANGL. DEV. =   8.1 DEGREES          
REMARK 500                                                                      
REMARK 500 THIS ENTRY HAS      87 ANGLE DEVIATIONS.                             
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  1 ALA A   2       73.99    109.57                                   
REMARK 500  1 GLU A   3       86.62     -1.28                                   
REMARK 500  1 THR A   5       71.99    -20.51                                   
REMARK 500  1 PHE A   6      -65.65     77.04                                   
REMARK 500  1 THR A   7      -48.32    -14.89                                   
REMARK 500  1 ASP A   9      -80.69    -49.85                                   
REMARK 500  1 VAL A  10      -52.51    -28.94                                   
REMARK 500  1 GLN A  17      -70.20    -79.89                                   
REMARK 500  1 ALA A  18      -57.78    -27.97                                   
REMARK 500  1 ALA A  19      -41.30    -24.63                                   
REMARK 500  1 LEU A  26      -16.25    -43.29                                   
REMARK 500  1 LYS A  28       48.00    -83.22                                   
REMARK 500  2 ALA A   2      -71.07     60.44                                   
REMARK 500  2 GLU A   3      -65.15   -101.05                                   
REMARK 500  2 THR A   5     -158.56    126.50                                   
REMARK 500  2 PHE A   6       71.27    -23.26                                   
REMARK 500  2 THR A   7      -70.44    165.41                                   
REMARK 500  2 GLN A  17      -63.27    -91.71                                   
REMARK 500  2 ALA A  24       36.93    -93.39                                   
REMARK 500  2 TRP A  25      -83.59   -114.14                                   
REMARK 500  2 LEU A  26       -9.12    -51.12                                   
REMARK 500  2 LYS A  28      -48.58   -144.69                                   
REMARK 500  3 ALA A   2      -55.13   -129.62                                   
REMARK 500  3 THR A   5      -27.14    -39.46                                   
REMARK 500  3 THR A   7       26.16     10.20                                   
REMARK 500  3 ASP A   9      -91.41   -125.68                                   
REMARK 500  3 GLU A  15      -73.46   -102.55                                   
REMARK 500  3 GLN A  17      -67.64   -103.34                                   
REMARK 500  3 ALA A  18      -51.93    -24.93                                   
REMARK 500  3 PHE A  22       38.30    -84.94                                   
REMARK 500  3 TRP A  25      -55.01    -23.66                                   
REMARK 500  3 LEU A  26       73.62   -100.84                                   
REMARK 500  3 VAL A  27       28.05     45.32                                   
REMARK 500  3 LYS A  28       43.45     73.05                                   
REMARK 500  4 ALA A   2      151.72    -39.69                                   
REMARK 500  4 GLU A   3       25.68     36.18                                   
REMARK 500  4 THR A   5     -101.28     20.60                                   
REMARK 500  4 THR A   7      -38.08    173.51                                   
REMARK 500  4 SER A   8      -55.14    -26.02                                   
REMARK 500  4 ASP A   9      -86.15    -60.18                                   
REMARK 500  4 LEU A  14      -62.43    -94.35                                   
REMARK 500  4 TRP A  25      -66.85    -28.60                                   
REMARK 500  4 LEU A  26      -18.10    -43.45                                   
REMARK 500  5 ALA A   2      -53.46   -137.81                                   
REMARK 500  5 GLU A   3      -60.27     -5.54                                   
REMARK 500  5 THR A   5      -33.12     66.40                                   
REMARK 500  5 PHE A   6     -102.35     40.78                                   
REMARK 500  5 THR A   7      -75.85      4.11                                   
REMARK 500  5 ASP A   9      -49.61    -28.36                                   
REMARK 500  5 VAL A  10      -41.41    -28.69                                   
REMARK 500                                                                      
REMARK 500 THIS ENTRY HAS     156 RAMACHANDRAN OUTLIERS.                        
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 500                                                                      
REMARK 500 GEOMETRY AND STEREOCHEMISTRY                                         
REMARK 500 SUBTOPIC: PLANAR GROUPS                                              
REMARK 500                                                                      
REMARK 500 PLANAR GROUPS IN THE FOLLOWING RESIDUES HAVE A TOTAL                 
REMARK 500 RMS DISTANCE OF ALL ATOMS FROM THE BEST-FIT PLANE                    
REMARK 500 BY MORE THAN AN EXPECTED VALUE OF 6*RMSD, WITH AN                    
REMARK 500 RMSD 0.02 ANGSTROMS, OR AT LEAST ONE ATOM HAS                        
REMARK 500 AN RMSD GREATER THAN THIS VALUE                                      
REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER;               
REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE).                             
REMARK 500                                                                      
REMARK 500  M RES CSSEQI        RMS     TYPE                                    
REMARK 500  1 ARG A  30         0.31    SIDE CHAIN                              
REMARK 500  3 ARG A  30         0.21    SIDE CHAIN                              
REMARK 500  4 ARG A  30         0.31    SIDE CHAIN                              
REMARK 500  5 ARG A  30         0.26    SIDE CHAIN                              
REMARK 500  6 ARG A  30         0.32    SIDE CHAIN                              
REMARK 500  7 ARG A  30         0.25    SIDE CHAIN                              
REMARK 500  8 ARG A  30         0.14    SIDE CHAIN                              
REMARK 500  9 ARG A  30         0.17    SIDE CHAIN                              
REMARK 500 10 ARG A  30         0.31    SIDE CHAIN                              
REMARK 500 11 ARG A  30         0.27    SIDE CHAIN                              
REMARK 500 12 ARG A  30         0.28    SIDE CHAIN                              
REMARK 500 13 ARG A  30         0.29    SIDE CHAIN                              
REMARK 500 14 ARG A  30         0.29    SIDE CHAIN                              
REMARK 500 15 ARG A  30         0.30    SIDE CHAIN                              
REMARK 500 16 ARG A  30         0.31    SIDE CHAIN                              
REMARK 500 17 ARG A  30         0.23    SIDE CHAIN                              
REMARK 500 18 ARG A  30         0.29    SIDE CHAIN                              
REMARK 500 19 ARG A  30         0.32    SIDE CHAIN                              
REMARK 500 20 ARG A  30         0.28    SIDE CHAIN                              
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
DBREF  1D0R A    1    30  UNP    P01275   GLUC_HUMAN      98    127             
SEQRES   1 A   30  HIS ALA GLU GLY THR PHE THR SER ASP VAL SER SER TYR          
SEQRES   2 A   30  LEU GLU GLY GLN ALA ALA LYS GLU PHE ILE ALA TRP LEU          
SEQRES   3 A   30  VAL LYS GLY ARG                                              
HELIX    1   1 THR A    7  ALA A   19  1                                  13    
HELIX    2   2 ALA A   19  LEU A   26  1                                   8    
CRYST1    1.000    1.000    1.000  90.00  90.00  90.00 P 1           1          
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      1.000000  0.000000  0.000000        0.00000                         
SCALE2      0.000000  1.000000  0.000000        0.00000                         
SCALE3      0.000000  0.000000  1.000000        0.00000                         
MODEL        1                                                                  
(ATOM LINES ARE NOT SHOWN.)
END                                                                             
DBGET integrated database retrieval system