Header list of 1j7q.pdb file
Complete list - b 23 2 Bytes
HEADER METAL BINDING PROTEIN 18-MAY-01 1J7Q TITLE SOLUTION STRUCTURE AND BACKBONE DYNAMICS OF THE DEFUNCT EF-HAND DOMAIN TITLE 2 OF CALCIUM VECTOR PROTEIN CAVEAT 1J7Q CHIRALITY ERROR. COMPND MOL_ID: 1; COMPND 2 MOLECULE: CALCIUM VECTOR PROTEIN; COMPND 3 CHAIN: A; COMPND 4 FRAGMENT: N-TERMINAL DOMAIN (RESIDUES 1-86); COMPND 5 SYNONYM: CAVP; COMPND 6 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: BRANCHIOSTOMA LANCEOLATUM; SOURCE 3 ORGANISM_COMMON: AMPHIOXUS; SOURCE 4 ORGANISM_TAXID: 7740; SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI BL21(DE3); SOURCE 6 EXPRESSION_SYSTEM_TAXID: 469008; SOURCE 7 EXPRESSION_SYSTEM_STRAIN: BL21(DE3); SOURCE 8 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 9 EXPRESSION_SYSTEM_PLASMID: PET24A KEYWDS EF-HAND FAMILY, CALCIUM BINDING PROTEIN, METAL BINDING PROTEIN EXPDTA SOLUTION NMR NUMMDL 31 AUTHOR I.THERET,S.BALADI,J.A.COX,J.GALLAY,H.SAKAMOTO,C.T.CRAESCU REVDAT 4 23-FEB-22 1J7Q 1 REMARK REVDAT 3 24-FEB-09 1J7Q 1 VERSN REVDAT 2 28-DEC-01 1J7Q 1 JRNL REVDAT 1 06-JUN-01 1J7Q 0 JRNL AUTH I.THERET,S.BALADI,J.A.COX,J.GALLAY,H.SAKAMOTO,C.T.CRAESCU JRNL TITL SOLUTION STRUCTURE AND BACKBONE DYNAMICS OF THE DEFUNCT JRNL TITL 2 DOMAIN OF CALCIUM VECTOR PROTEIN. JRNL REF BIOCHEMISTRY V. 40 13888 2001 JRNL REFN ISSN 0006-2960 JRNL PMID 11705378 JRNL DOI 10.1021/BI011444Q REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : FELIX 97.0, DISCOVER REMARK 3 AUTHORS : MSI (FELIX), MSI (DISCOVER) REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: THE STRUCTURES ARE BASED ON 844 REMARK 3 DISTANCE CONTRAINTS, 104 DIHEDRAL CONSTRAINTS AND 62 HYDROGEN REMARK 3 BONDS. REMARK 4 REMARK 4 1J7Q COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 21-MAY-01. REMARK 100 THE DEPOSITION ID IS D_1000013464. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 298 REMARK 210 PH : 6.5 REMARK 210 IONIC STRENGTH : 100 MM KCL REMARK 210 PRESSURE : AMBIENT REMARK 210 SAMPLE CONTENTS : 1.5 MM N-CAVP UNLABELED, 20 MM REMARK 210 DEUTERATED TRIS BUFFER, 100 MM REMARK 210 KCL; 1.5 MM N-CAVP UNIFORMLY 15N REMARK 210 LABELED, 20 MM DEUTERATED TRIS REMARK 210 BUFFER, 100 MM KCL REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : 2D NOESY; 3D_15N-SEPARATED_NOESY REMARK 210 SPECTROMETER FIELD STRENGTH : 500 MHZ REMARK 210 SPECTROMETER MODEL : UNITY REMARK 210 SPECTROMETER MANUFACTURER : VARIAN REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : FELIX 97.0, DGII REMARK 210 METHOD USED : DISTANCE GEOMETRY SIMULATED REMARK 210 ANNEALING REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : 97 REMARK 210 CONFORMERS, NUMBER SUBMITTED : 31 REMARK 210 CONFORMERS, SELECTION CRITERIA : STRUCTURES WITH ACCEPTABLE REMARK 210 COVALENT GEOMETRY,STRUCTURES REMARK 210 WITH THE LEAST RESTRAINT REMARK 210 VIOLATIONS,STRUCTURES WITH THE REMARK 210 LOWEST ENERGY REMARK 210 REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : NULL REMARK 210 REMARK 210 REMARK: NULL 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: CLOSE CONTACTS REMARK 500 REMARK 500 THE FOLLOWING ATOMS ARE IN CLOSE CONTACT. REMARK 500 REMARK 500 ATM1 RES C SSEQI ATM2 RES C SSEQI DISTANCE REMARK 500 OE2 GLU A 12 HH TYR A 47 1.42 REMARK 500 OE1 GLU A 72 HG1 THR A 76 1.53 REMARK 500 HZ2 LYS A 49 OE1 GLU A 51 1.55 REMARK 500 HZ3 LYS A 63 OD2 ASP A 65 1.55 REMARK 500 O MET A 37 HG1 THR A 41 1.60 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 TRP A 74 CD1 - NE1 - CE2 ANGL. DEV. = -5.5 DEGREES REMARK 500 1 TRP A 74 NE1 - CE2 - CZ2 ANGL. DEV. = -8.1 DEGREES REMARK 500 1 TRP A 74 CG - CD2 - CE3 ANGL. DEV. = -11.2 DEGREES REMARK 500 1 TRP A 81 NE1 - CE2 - CZ2 ANGL. DEV. = -8.2 DEGREES REMARK 500 1 TRP A 81 CG - CD2 - CE3 ANGL. DEV. = -11.7 DEGREES REMARK 500 2 TRP A 74 NE1 - CE2 - CZ2 ANGL. DEV. = -7.8 DEGREES REMARK 500 2 TRP A 74 CG - CD2 - CE3 ANGL. DEV. = -11.4 DEGREES REMARK 500 2 TRP A 81 CB - CG - CD2 ANGL. DEV. = -8.4 DEGREES REMARK 500 2 TRP A 81 NE1 - CE2 - CZ2 ANGL. DEV. = -9.3 DEGREES REMARK 500 2 TRP A 81 CG - CD2 - CE3 ANGL. DEV. = -11.8 DEGREES REMARK 500 3 TRP A 74 CB - CG - CD1 ANGL. DEV. = -11.3 DEGREES REMARK 500 3 TRP A 74 CD1 - NE1 - CE2 ANGL. DEV. = -5.9 DEGREES REMARK 500 3 TRP A 74 NE1 - CE2 - CZ2 ANGL. DEV. = -10.4 DEGREES REMARK 500 3 TRP A 74 CG - CD2 - CE3 ANGL. DEV. = -11.4 DEGREES REMARK 500 3 TRP A 81 NE1 - CE2 - CZ2 ANGL. DEV. = -9.3 DEGREES REMARK 500 3 TRP A 81 CG - CD2 - CE3 ANGL. DEV. = -11.8 DEGREES REMARK 500 4 TRP A 74 NE1 - CE2 - CZ2 ANGL. DEV. = -7.9 DEGREES REMARK 500 4 TRP A 74 CG - CD2 - CE3 ANGL. DEV. = -11.8 DEGREES REMARK 500 4 TRP A 81 CD1 - NE1 - CE2 ANGL. DEV. = -5.6 DEGREES REMARK 500 4 TRP A 81 NE1 - CE2 - CZ2 ANGL. DEV. = -7.9 DEGREES REMARK 500 4 TRP A 81 CG - CD2 - CE3 ANGL. DEV. = -11.7 DEGREES REMARK 500 5 TRP A 74 NE1 - CE2 - CZ2 ANGL. DEV. = -7.5 DEGREES REMARK 500 5 TRP A 74 CG - CD2 - CE3 ANGL. DEV. = -11.6 DEGREES REMARK 500 5 TRP A 81 CD1 - NE1 - CE2 ANGL. DEV. = -5.7 DEGREES REMARK 500 5 TRP A 81 NE1 - CE2 - CZ2 ANGL. DEV. = -8.3 DEGREES REMARK 500 5 TRP A 81 CG - CD2 - CE3 ANGL. DEV. = -11.6 DEGREES REMARK 500 6 TRP A 74 CB - CG - CD1 ANGL. DEV. = -8.2 DEGREES REMARK 500 6 TRP A 74 CD1 - NE1 - CE2 ANGL. DEV. = -6.5 DEGREES REMARK 500 6 TRP A 74 CG - CD2 - CE3 ANGL. DEV. = -9.3 DEGREES REMARK 500 6 TRP A 81 CD1 - NE1 - CE2 ANGL. DEV. = -5.6 DEGREES REMARK 500 6 TRP A 81 NE1 - CE2 - CZ2 ANGL. DEV. = -7.7 DEGREES REMARK 500 6 TRP A 81 CG - CD2 - CE3 ANGL. DEV. = -12.2 DEGREES REMARK 500 7 TRP A 74 CB - CG - CD2 ANGL. DEV. = -7.9 DEGREES REMARK 500 7 TRP A 74 CB - CG - CD1 ANGL. DEV. = -11.6 DEGREES REMARK 500 7 TRP A 74 CD1 - NE1 - CE2 ANGL. DEV. = -5.4 DEGREES REMARK 500 7 TRP A 74 NE1 - CE2 - CZ2 ANGL. DEV. = -9.6 DEGREES REMARK 500 7 TRP A 74 CG - CD2 - CE3 ANGL. DEV. = -11.6 DEGREES REMARK 500 7 TRP A 81 CD1 - NE1 - CE2 ANGL. DEV. = -5.6 DEGREES REMARK 500 7 TRP A 81 NE1 - CE2 - CZ2 ANGL. DEV. = -8.7 DEGREES REMARK 500 7 TRP A 81 CG - CD2 - CE3 ANGL. DEV. = -11.8 DEGREES REMARK 500 8 TRP A 74 CB - CG - CD1 ANGL. DEV. = -8.4 DEGREES REMARK 500 8 TRP A 74 CD1 - NE1 - CE2 ANGL. DEV. = -5.7 DEGREES REMARK 500 8 TRP A 74 NE1 - CE2 - CZ2 ANGL. DEV. = -7.5 DEGREES REMARK 500 8 TRP A 74 CG - CD2 - CE3 ANGL. DEV. = -10.4 DEGREES REMARK 500 8 TRP A 81 CB - CG - CD2 ANGL. DEV. = -7.9 DEGREES REMARK 500 8 TRP A 81 NE1 - CE2 - CZ2 ANGL. DEV. = -9.4 DEGREES REMARK 500 8 TRP A 81 CG - CD2 - CE3 ANGL. DEV. = -12.2 DEGREES REMARK 500 9 TRP A 74 CB - CG - CD1 ANGL. DEV. = -10.1 DEGREES REMARK 500 9 TRP A 74 NE1 - CE2 - CZ2 ANGL. DEV. = -8.6 DEGREES REMARK 500 9 TRP A 74 CG - CD2 - CE3 ANGL. DEV. = -11.2 DEGREES REMARK 500 REMARK 500 THIS ENTRY HAS 200 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 ARG A 25 14.46 -147.41 REMARK 500 1 ALA A 27 80.32 -164.85 REMARK 500 1 GLU A 28 -57.59 -154.67 REMARK 500 1 ASN A 29 12.18 55.86 REMARK 500 1 GLN A 45 -71.53 -166.75 REMARK 500 1 TYR A 47 -125.36 -118.44 REMARK 500 1 LYS A 49 -175.54 75.84 REMARK 500 1 ARG A 60 -94.40 -60.52 REMARK 500 1 LYS A 66 48.08 -147.38 REMARK 500 1 PRO A 71 -55.39 -27.25 REMARK 500 1 GLN A 84 111.95 85.48 REMARK 500 1 ASP A 85 77.70 -110.71 REMARK 500 2 ARG A 6 164.54 72.54 REMARK 500 2 ALA A 7 -125.02 -83.00 REMARK 500 2 LEU A 8 -156.37 -164.64 REMARK 500 2 ASP A 24 45.12 -63.03 REMARK 500 2 ARG A 25 18.83 55.83 REMARK 500 2 ASN A 26 -58.85 94.43 REMARK 500 2 ALA A 27 60.85 -168.00 REMARK 500 2 GLU A 28 25.59 -155.53 REMARK 500 2 GLN A 45 -63.28 -171.76 REMARK 500 2 TYR A 47 -105.94 -104.34 REMARK 500 2 THR A 48 -88.21 -96.57 REMARK 500 2 LYS A 49 -51.71 -162.63 REMARK 500 2 ARG A 60 -89.40 -56.08 REMARK 500 2 LYS A 66 65.81 -150.77 REMARK 500 2 PRO A 71 -57.07 -27.44 REMARK 500 2 GLN A 84 82.00 72.56 REMARK 500 3 ARG A 25 50.45 81.46 REMARK 500 3 ASN A 26 -58.26 83.84 REMARK 500 3 ALA A 27 66.74 -172.31 REMARK 500 3 ASN A 29 -38.59 76.61 REMARK 500 3 GLN A 45 -76.28 77.23 REMARK 500 3 TYR A 47 -97.99 -104.83 REMARK 500 3 THR A 48 -55.86 -155.62 REMARK 500 3 ARG A 83 -78.80 -17.39 REMARK 500 3 GLN A 84 -90.73 63.53 REMARK 500 4 LYS A 4 142.25 -172.40 REMARK 500 4 ASN A 26 -60.86 86.14 REMARK 500 4 ALA A 27 62.44 -153.41 REMARK 500 4 GLU A 28 49.55 -149.77 REMARK 500 4 GLN A 45 -63.83 -175.34 REMARK 500 4 TYR A 47 -111.79 -112.54 REMARK 500 4 LYS A 49 179.25 76.14 REMARK 500 4 PRO A 71 -39.83 -38.42 REMARK 500 4 VAL A 82 -71.80 -87.49 REMARK 500 4 GLN A 84 55.53 71.57 REMARK 500 4 ASP A 85 102.62 -171.16 REMARK 500 5 GLU A 11 25.92 -69.09 REMARK 500 5 GLU A 12 -28.13 -34.53 REMARK 500 REMARK 500 THIS ENTRY HAS 393 RAMACHANDRAN OUTLIERS. REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: NON-CIS, NON-TRANS REMARK 500 REMARK 500 THE FOLLOWING PEPTIDE BONDS DEVIATE SIGNIFICANTLY FROM BOTH REMARK 500 CIS AND TRANS CONFORMATION. CIS BONDS, IF ANY, ARE LISTED REMARK 500 ON CISPEP RECORDS. TRANS IS DEFINED AS 180 +/- 30 AND REMARK 500 CIS IS DEFINED AS 0 +/- 30 DEGREES. REMARK 500 MODEL OMEGA REMARK 500 ASN A 26 ALA A 27 12 149.56 REMARK 500 ASN A 26 ALA A 27 15 147.62 REMARK 500 ASN A 26 ALA A 27 16 148.78 REMARK 500 ASN A 26 ALA A 27 19 146.93 REMARK 500 ASN A 26 ALA A 27 23 149.64 REMARK 500 ALA A 27 GLU A 28 25 147.58 REMARK 500 ASN A 26 ALA A 27 28 146.60 REMARK 500 ASN A 26 ALA A 27 29 145.29 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 6 0.13 SIDE CHAIN REMARK 500 1 PHE A 20 0.14 SIDE CHAIN REMARK 500 1 PHE A 23 0.13 SIDE CHAIN REMARK 500 1 ARG A 25 0.18 SIDE CHAIN REMARK 500 1 ARG A 50 0.20 SIDE CHAIN REMARK 500 1 ARG A 60 0.10 SIDE CHAIN REMARK 500 1 ARG A 83 0.14 SIDE CHAIN REMARK 500 2 ARG A 6 0.11 SIDE CHAIN REMARK 500 2 PHE A 20 0.15 SIDE CHAIN REMARK 500 2 PHE A 23 0.14 SIDE CHAIN REMARK 500 2 ARG A 25 0.12 SIDE CHAIN REMARK 500 2 ARG A 50 0.22 SIDE CHAIN REMARK 500 2 ARG A 60 0.15 SIDE CHAIN REMARK 500 2 ARG A 83 0.18 SIDE CHAIN REMARK 500 3 ARG A 6 0.19 SIDE CHAIN REMARK 500 3 PHE A 23 0.13 SIDE CHAIN REMARK 500 3 TYR A 47 0.11 SIDE CHAIN REMARK 500 3 ARG A 50 0.08 SIDE CHAIN REMARK 500 3 ARG A 60 0.16 SIDE CHAIN REMARK 500 3 ARG A 83 0.12 SIDE CHAIN REMARK 500 4 ARG A 6 0.09 SIDE CHAIN REMARK 500 4 PHE A 20 0.15 SIDE CHAIN REMARK 500 4 PHE A 23 0.13 SIDE CHAIN REMARK 500 4 ARG A 25 0.19 SIDE CHAIN REMARK 500 4 TYR A 47 0.10 SIDE CHAIN REMARK 500 4 ARG A 50 0.14 SIDE CHAIN REMARK 500 4 ARG A 60 0.14 SIDE CHAIN REMARK 500 4 ARG A 83 0.09 SIDE CHAIN REMARK 500 5 ARG A 6 0.14 SIDE CHAIN REMARK 500 5 PHE A 20 0.16 SIDE CHAIN REMARK 500 5 PHE A 23 0.09 SIDE CHAIN REMARK 500 5 ARG A 25 0.14 SIDE CHAIN REMARK 500 5 TYR A 47 0.15 SIDE CHAIN REMARK 500 5 ARG A 50 0.14 SIDE CHAIN REMARK 500 5 ARG A 60 0.12 SIDE CHAIN REMARK 500 5 ARG A 83 0.10 SIDE CHAIN REMARK 500 6 ARG A 6 0.14 SIDE CHAIN REMARK 500 6 PHE A 23 0.18 SIDE CHAIN REMARK 500 6 ARG A 25 0.13 SIDE CHAIN REMARK 500 6 ARG A 50 0.21 SIDE CHAIN REMARK 500 6 ARG A 60 0.13 SIDE CHAIN REMARK 500 6 ARG A 83 0.11 SIDE CHAIN REMARK 500 7 ARG A 6 0.18 SIDE CHAIN REMARK 500 7 PHE A 20 0.16 SIDE CHAIN REMARK 500 7 PHE A 23 0.17 SIDE CHAIN REMARK 500 7 ARG A 25 0.11 SIDE CHAIN REMARK 500 7 TYR A 47 0.09 SIDE CHAIN REMARK 500 7 ARG A 50 0.21 SIDE CHAIN REMARK 500 7 ARG A 60 0.10 SIDE CHAIN REMARK 500 7 ARG A 83 0.17 SIDE CHAIN REMARK 500 REMARK 500 THIS ENTRY HAS 218 PLANE DEVIATIONS. REMARK 500 REMARK 500 REMARK: NULL DBREF 1J7Q A 1 86 UNP P04573 CAVP_BRALA 1 86 SEQRES 1 A 86 ALA ALA PRO LYS ALA ARG ALA LEU GLY PRO GLU GLU LYS SEQRES 2 A 86 ASP GLU CYS MET LYS ILE PHE ASP ILE PHE ASP ARG ASN SEQRES 3 A 86 ALA GLU ASN ILE ALA PRO VAL SER ASP THR MET ASP MET SEQRES 4 A 86 LEU THR LYS LEU GLY GLN THR TYR THR LYS ARG GLU THR SEQRES 5 A 86 GLU ALA ILE MET LYS GLU ALA ARG GLY PRO LYS GLY ASP SEQRES 6 A 86 LYS LYS ASN ILE GLY PRO GLU GLU TRP LEU THR LEU CYS SEQRES 7 A 86 SER LYS TRP VAL ARG GLN ASP ASP HELIX 1 1 GLU A 11 ASP A 24 1 14 HELIX 2 2 PRO A 32 LEU A 43 1 12 HELIX 3 3 THR A 48 GLY A 61 1 14 HELIX 4 4 GLU A 72 ARG A 83 1 12 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
Complete list - b 23 2 Bytes