Header list of 1c54.pdb file
Complete list - b 16 2 Bytes
HEADER HYDROLASE 22-OCT-99 1C54
TITLE SOLUTION STRUCTURE OF RIBONUCLEASE SA
COMPND MOL_ID: 1;
COMPND 2 MOLECULE: RIBONUCLEASE SA;
COMPND 3 CHAIN: A;
COMPND 4 EC: 3.1.27.3;
COMPND 5 ENGINEERED: YES
SOURCE MOL_ID: 1;
SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOMYCES AUREOFACIENS;
SOURCE 3 ORGANISM_TAXID: 1894;
SOURCE 4 EXPRESSION_SYSTEM: ESCHERICHIA COLI;
SOURCE 5 EXPRESSION_SYSTEM_TAXID: 562;
SOURCE 6 EXPRESSION_SYSTEM_PLASMID: PEH100
KEYWDS ALPHA+BETA PROTEIN, HYDROLASE
EXPDTA SOLUTION NMR
NUMMDL 20
AUTHOR D.V.LAURENTS,J.M.CANADILLAS-PEREZ,J.SANTORO,D.SCHELL,C.N.PACE,M.RICO,
AUTHOR 2 M.BRUIX
REVDAT 4 16-FEB-22 1C54 1 REMARK
REVDAT 3 24-FEB-09 1C54 1 VERSN
REVDAT 2 01-APR-03 1C54 1 JRNL
REVDAT 1 28-NOV-01 1C54 0
JRNL AUTH D.LAURENTS,J.M.PEREZ-CANADILLAS,J.SANTORO,M.RICO,D.SCHELL,
JRNL AUTH 2 C.N.PACE,M.BRUIX
JRNL TITL SOLUTION STRUCTURE AND DYNAMICS OF RIBONUCLEASE SA.
JRNL REF PROTEINS V. 44 200 2001
JRNL REFN ISSN 0887-3585
JRNL PMID 11455593
JRNL DOI 10.1002/PROT.1085
REMARK 1
REMARK 1 REFERENCE 1
REMARK 1 AUTH D.V.LAURENTS,J.M.CANADILLAS-PEREZ,J.SANTORO,D.SCHELL,
REMARK 1 AUTH 2 C.N.PACE,M.RICO,M.BRUIX
REMARK 1 TITL SEQUENTIAL ASSIGNMENT AND SOLUTION SECONDARY STRUCTURE OF
REMARK 1 TITL 2 DOUBLY LABELLED RIBONUCLEASE SA
REMARK 1 REF J.BIOMOL.NMR V. 14 89 1999
REMARK 1 REFN ISSN 0925-2738
REMARK 1 DOI 10.1023/A:1008312619872
REMARK 1 REFERENCE 2
REMARK 1 AUTH J.SEVCIK,Z.DAUTER,V.S.LAMZIN,K.S.WILSON
REMARK 1 TITL RIBONUCELASE FROM STREPTOMYCES AUREOFACIENS AT ATOMIC
REMARK 1 TITL 2 RESOLUTION
REMARK 1 REF ACTA CRYSTALLOGR.,SECT.D V. 52 327 1996
REMARK 1 REFN ISSN 0907-4449
REMARK 1 DOI 10.1107/S0907444995007669
REMARK 2
REMARK 2 RESOLUTION. NOT APPLICABLE.
REMARK 3
REMARK 3 REFINEMENT.
REMARK 3 PROGRAM : XWINNMR 1.3, GROMOS
REMARK 3 AUTHORS : BRUKER (XWINNMR), VAN GUNSTRUM (GROMOS)
REMARK 3
REMARK 3 OTHER REFINEMENT REMARKS:
REMARK 3 THE STRUCTURES ARE BASED ON A TOTAL OF 1924 UPPER DISTANCE
REMARK 3 RESTRAINTS, DERIVED
REMARK 3 FROM 2276 UNAMBIGUOUS NOES, AND 3 LOWER DISTANCE RESTRAINTS BASED
REMARK 3 ON THE
REMARK 3 PROTEINS C7-C96 DISULFIDE BOND.
REMARK 4
REMARK 4 1C54 COMPLIES WITH FORMAT V. 3.15, 01-DEC-08
REMARK 100
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 26-OCT-99.
REMARK 100 THE DEPOSITION ID IS D_1000001318.
REMARK 210
REMARK 210 EXPERIMENTAL DETAILS
REMARK 210 EXPERIMENT TYPE : NMR
REMARK 210 TEMPERATURE (KELVIN) : 303.2; 303.2; 303.2; 303.2
REMARK 210 PH : 5.5; 5.5; 5.5; 5.5
REMARK 210 IONIC STRENGTH : 0; 0; 0; 0
REMARK 210 PRESSURE : AMBIENT; AMBIENT; AMBIENT;
REMARK 210 AMBIENT
REMARK 210 SAMPLE CONTENTS : NA; NA; U-15N; U-15N
REMARK 210
REMARK 210 NMR EXPERIMENTS CONDUCTED : 2D_NOESY; 2D NOESY
REMARK 210 SPECTROMETER FIELD STRENGTH : 600 MHZ
REMARK 210 SPECTROMETER MODEL : AMX
REMARK 210 SPECTROMETER MANUFACTURER : BRUKER
REMARK 210
REMARK 210 STRUCTURE DETERMINATION.
REMARK 210 SOFTWARE USED : ANSIG 3.3, DYANA 1.4
REMARK 210 METHOD USED : MOLECULAR DYNAMICS
REMARK 210
REMARK 210 CONFORMERS, NUMBER CALCULATED : 40
REMARK 210 CONFORMERS, NUMBER SUBMITTED : 20
REMARK 210 CONFORMERS, SELECTION CRITERIA : LOWEST ENERGY AND REPRESENTATIVE
REMARK 210 OF DIFFERENT CONFORMERS
REMARK 210
REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : 1
REMARK 210
REMARK 210 REMARK:
REMARK 210 THIS STRUCTURE WAS DETERMINED WITH A 80MS MIXING TIME, AND
REMARK 210 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: 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 O PHE A 37 H ASN A 39 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 TYR A 30 CB - CG - CD2 ANGL. DEV. = -4.0 DEGREES
REMARK 500 1 TYR A 52 CB - CG - CD2 ANGL. DEV. = -4.2 DEGREES
REMARK 500 2 TYR A 30 CB - CG - CD2 ANGL. DEV. = -3.7 DEGREES
REMARK 500 2 ARG A 40 NE - CZ - NH1 ANGL. DEV. = 3.4 DEGREES
REMARK 500 2 TYR A 52 CB - CG - CD2 ANGL. DEV. = -4.7 DEGREES
REMARK 500 2 TYR A 81 CB - CG - CD2 ANGL. DEV. = -3.9 DEGREES
REMARK 500 3 TYR A 30 CB - CG - CD2 ANGL. DEV. = -4.1 DEGREES
REMARK 500 3 TYR A 52 CB - CG - CD2 ANGL. DEV. = -5.5 DEGREES
REMARK 500 3 ARG A 69 NE - CZ - NH1 ANGL. DEV. = 3.1 DEGREES
REMARK 500 3 TYR A 81 CB - CG - CD2 ANGL. DEV. = -3.7 DEGREES
REMARK 500 4 TYR A 30 CB - CG - CD2 ANGL. DEV. = -3.8 DEGREES
REMARK 500 4 TYR A 52 CB - CG - CD2 ANGL. DEV. = -5.9 DEGREES
REMARK 500 5 TYR A 30 CB - CG - CD2 ANGL. DEV. = -5.0 DEGREES
REMARK 500 5 TYR A 52 CB - CG - CD2 ANGL. DEV. = -5.1 DEGREES
REMARK 500 5 ARG A 69 NE - CZ - NH1 ANGL. DEV. = 3.6 DEGREES
REMARK 500 5 TYR A 81 CB - CG - CD2 ANGL. DEV. = -4.5 DEGREES
REMARK 500 6 TYR A 30 CB - CG - CD2 ANGL. DEV. = -4.0 DEGREES
REMARK 500 6 TYR A 52 CB - CG - CD2 ANGL. DEV. = -6.0 DEGREES
REMARK 500 6 TYR A 86 CB - CG - CD2 ANGL. DEV. = -5.1 DEGREES
REMARK 500 7 TYR A 30 CB - CG - CD2 ANGL. DEV. = -3.8 DEGREES
REMARK 500 7 TYR A 52 CB - CG - CD2 ANGL. DEV. = -5.9 DEGREES
REMARK 500 7 TYR A 86 CB - CG - CD2 ANGL. DEV. = -5.3 DEGREES
REMARK 500 8 TYR A 30 CB - CG - CD2 ANGL. DEV. = -4.6 DEGREES
REMARK 500 8 TYR A 52 CB - CG - CD2 ANGL. DEV. = -4.3 DEGREES
REMARK 500 8 ARG A 65 NE - CZ - NH1 ANGL. DEV. = 3.4 DEGREES
REMARK 500 8 TYR A 81 CB - CG - CD2 ANGL. DEV. = -3.9 DEGREES
REMARK 500 8 TYR A 86 CB - CG - CD2 ANGL. DEV. = -5.5 DEGREES
REMARK 500 9 TYR A 30 CB - CG - CD2 ANGL. DEV. = -4.0 DEGREES
REMARK 500 9 TYR A 52 CB - CG - CD2 ANGL. DEV. = -5.3 DEGREES
REMARK 500 9 ARG A 65 NE - CZ - NH1 ANGL. DEV. = 3.4 DEGREES
REMARK 500 9 TYR A 81 CB - CG - CD2 ANGL. DEV. = -4.1 DEGREES
REMARK 500 9 TYR A 86 CB - CG - CD2 ANGL. DEV. = -5.2 DEGREES
REMARK 500 10 TYR A 30 CB - CG - CD2 ANGL. DEV. = -4.3 DEGREES
REMARK 500 10 TYR A 52 CB - CG - CD2 ANGL. DEV. = -4.2 DEGREES
REMARK 500 10 TYR A 86 CB - CG - CD2 ANGL. DEV. = -5.5 DEGREES
REMARK 500 11 TYR A 30 CB - CG - CD2 ANGL. DEV. = -3.9 DEGREES
REMARK 500 11 TYR A 52 CB - CG - CD2 ANGL. DEV. = -5.1 DEGREES
REMARK 500 11 TYR A 81 CB - CG - CD2 ANGL. DEV. = -4.0 DEGREES
REMARK 500 11 TYR A 86 CB - CG - CD2 ANGL. DEV. = -4.0 DEGREES
REMARK 500 12 TYR A 30 CB - CG - CD2 ANGL. DEV. = -4.1 DEGREES
REMARK 500 12 TYR A 52 CB - CG - CD2 ANGL. DEV. = -6.2 DEGREES
REMARK 500 12 ARG A 69 NE - CZ - NH1 ANGL. DEV. = 4.0 DEGREES
REMARK 500 12 TYR A 81 CB - CG - CD1 ANGL. DEV. = -4.4 DEGREES
REMARK 500 12 TYR A 86 CB - CG - CD2 ANGL. DEV. = -5.5 DEGREES
REMARK 500 13 TYR A 30 CB - CG - CD2 ANGL. DEV. = -3.9 DEGREES
REMARK 500 13 TYR A 52 CB - CG - CD2 ANGL. DEV. = -3.6 DEGREES
REMARK 500 13 TYR A 86 CB - CG - CD2 ANGL. DEV. = -5.4 DEGREES
REMARK 500 14 TYR A 30 CB - CG - CD2 ANGL. DEV. = -4.1 DEGREES
REMARK 500 14 TYR A 52 CB - CG - CD2 ANGL. DEV. = -4.6 DEGREES
REMARK 500 14 TYR A 86 CB - CG - CD2 ANGL. DEV. = -4.5 DEGREES
REMARK 500
REMARK 500 THIS ENTRY HAS 66 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 ASP A 25 49.97 39.77
REMARK 500 1 ASP A 33 136.10 166.58
REMARK 500 1 ASN A 39 52.33 25.47
REMARK 500 1 GLN A 47 -39.66 170.70
REMARK 500 1 TYR A 55 62.13 -161.32
REMARK 500 1 ILE A 58 162.04 -42.30
REMARK 500 1 THR A 64 -162.30 -129.79
REMARK 500 1 GLN A 77 56.49 81.24
REMARK 500 1 GLU A 78 54.93 -166.44
REMARK 500 1 THR A 82 -75.94 -44.49
REMARK 500 1 HIS A 85 83.83 69.09
REMARK 500 1 LEU A 91 161.89 -43.22
REMARK 500 2 VAL A 2 135.21 -37.34
REMARK 500 2 ASP A 33 148.50 -177.54
REMARK 500 2 ASN A 39 56.12 26.18
REMARK 500 2 THR A 46 -165.20 -75.43
REMARK 500 2 GLN A 47 -38.81 168.50
REMARK 500 2 TYR A 55 69.67 -158.78
REMARK 500 2 ILE A 58 151.69 -43.32
REMARK 500 2 ARG A 63 -33.64 -39.41
REMARK 500 2 GLN A 77 32.97 74.82
REMARK 500 2 HIS A 85 81.28 61.92
REMARK 500 2 LEU A 91 157.29 -40.47
REMARK 500 3 ASP A 25 52.50 39.52
REMARK 500 3 ASP A 33 136.33 172.29
REMARK 500 3 GLN A 38 52.86 -69.66
REMARK 500 3 ASN A 39 55.17 31.23
REMARK 500 3 THR A 46 -144.91 -156.52
REMARK 500 3 GLN A 47 -35.98 168.63
REMARK 500 3 SER A 48 148.88 -37.87
REMARK 500 3 TYR A 55 75.52 -151.60
REMARK 500 3 ILE A 58 147.04 -39.36
REMARK 500 3 ARG A 63 -32.22 -39.96
REMARK 500 3 THR A 64 -159.00 -131.26
REMARK 500 3 GLN A 77 34.57 79.60
REMARK 500 3 HIS A 85 80.13 64.88
REMARK 500 3 LEU A 91 160.94 -42.80
REMARK 500 4 ASP A 33 134.16 169.99
REMARK 500 4 GLN A 38 47.69 -68.93
REMARK 500 4 ASN A 39 53.00 28.91
REMARK 500 4 THR A 46 -138.08 -155.84
REMARK 500 4 GLN A 47 -34.58 161.85
REMARK 500 4 SER A 48 155.52 -42.95
REMARK 500 4 TYR A 55 61.90 -153.09
REMARK 500 4 THR A 56 124.39 -38.24
REMARK 500 4 ILE A 58 146.37 -38.23
REMARK 500 4 THR A 64 -163.69 -126.24
REMARK 500 4 GLN A 77 32.04 81.28
REMARK 500 4 HIS A 85 80.81 67.76
REMARK 500 4 LEU A 91 164.66 -42.05
REMARK 500
REMARK 500 THIS ENTRY HAS 269 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 TYR A 51 0.08 SIDE CHAIN
REMARK 500 1 TYR A 52 0.08 SIDE CHAIN
REMARK 500 1 TYR A 86 0.08 SIDE CHAIN
REMARK 500 2 TYR A 51 0.09 SIDE CHAIN
REMARK 500 2 TYR A 52 0.09 SIDE CHAIN
REMARK 500 2 TYR A 80 0.07 SIDE CHAIN
REMARK 500 4 TYR A 51 0.06 SIDE CHAIN
REMARK 500 4 TYR A 86 0.07 SIDE CHAIN
REMARK 500 5 TYR A 81 0.09 SIDE CHAIN
REMARK 500 5 TYR A 86 0.06 SIDE CHAIN
REMARK 500 6 TYR A 80 0.06 SIDE CHAIN
REMARK 500 6 TYR A 81 0.06 SIDE CHAIN
REMARK 500 6 TYR A 86 0.07 SIDE CHAIN
REMARK 500 8 TYR A 52 0.09 SIDE CHAIN
REMARK 500 8 TYR A 81 0.10 SIDE CHAIN
REMARK 500 8 TYR A 86 0.07 SIDE CHAIN
REMARK 500 9 TYR A 86 0.10 SIDE CHAIN
REMARK 500 10 TYR A 86 0.07 SIDE CHAIN
REMARK 500 11 TYR A 81 0.11 SIDE CHAIN
REMARK 500 11 TYR A 86 0.06 SIDE CHAIN
REMARK 500 12 TYR A 51 0.07 SIDE CHAIN
REMARK 500 12 TYR A 81 0.09 SIDE CHAIN
REMARK 500 13 TYR A 52 0.10 SIDE CHAIN
REMARK 500 13 TYR A 81 0.08 SIDE CHAIN
REMARK 500 13 TYR A 86 0.08 SIDE CHAIN
REMARK 500 15 TYR A 81 0.07 SIDE CHAIN
REMARK 500 16 TYR A 51 0.08 SIDE CHAIN
REMARK 500 16 TYR A 86 0.08 SIDE CHAIN
REMARK 500 18 TYR A 86 0.08 SIDE CHAIN
REMARK 500 19 TYR A 30 0.10 SIDE CHAIN
REMARK 500 19 TYR A 86 0.08 SIDE CHAIN
REMARK 500 20 TYR A 30 0.08 SIDE CHAIN
REMARK 500
REMARK 500 REMARK: NULL
REMARK 500
REMARK 500 GEOMETRY AND STEREOCHEMISTRY
REMARK 500 SUBTOPIC: MAIN CHAIN PLANARITY
REMARK 500
REMARK 500 THE FOLLOWING RESIDUES HAVE A PSEUDO PLANARITY
REMARK 500 TORSION ANGLE, C(I) - CA(I) - N(I+1) - O(I), GREATER
REMARK 500 10.0 DEGREES. (M=MODEL NUMBER; RES=RESIDUE NAME;
REMARK 500 C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER;
REMARK 500 I=INSERTION CODE).
REMARK 500
REMARK 500 M RES CSSEQI ANGLE
REMARK 500 8 ALA A 15 -10.05
REMARK 500 13 VAL A 6 10.18
REMARK 500 16 TYR A 52 -10.59
REMARK 500 17 TYR A 52 -10.29
REMARK 500 18 VAL A 6 10.41
REMARK 500 19 VAL A 57 10.54
REMARK 500
REMARK 500 REMARK: NULL
REMARK 900
REMARK 900 RELATED ENTRIES
REMARK 900 RELATED ID: 4259 RELATED DB: BMRB
REMARK 900 THE 1H AND 15N ASSIGNMENTS OF RIBONUCLEASE SA AT PH 5.5 30C.
DBREF 1C54 A 1 96 UNP P05798 RNSA_STRAU 1 96
SEQADV 1C54 THR A 72 UNP P05798 CYS 72 SEE REMARK 999
SEQRES 1 A 96 ASP VAL SER GLY THR VAL CYS LEU SER ALA LEU PRO PRO
SEQRES 2 A 96 GLU ALA THR ASP THR LEU ASN LEU ILE ALA SER ASP GLY
SEQRES 3 A 96 PRO PHE PRO TYR SER GLN ASP GLY VAL VAL PHE GLN ASN
SEQRES 4 A 96 ARG GLU SER VAL LEU PRO THR GLN SER TYR GLY TYR TYR
SEQRES 5 A 96 HIS GLU TYR THR VAL ILE THR PRO GLY ALA ARG THR ARG
SEQRES 6 A 96 GLY THR ARG ARG ILE ILE THR GLY GLU ALA THR GLN GLU
SEQRES 7 A 96 ASP TYR TYR THR GLY ASP HIS TYR ALA THR PHE SER LEU
SEQRES 8 A 96 ILE ASP GLN THR CYS
HELIX 1 1 SER A 9 LEU A 11 5 3
HELIX 2 2 GLU A 14 SER A 24 1 11
SHEET 1 A 2 THR A 5 CYS A 7 0
SHEET 2 A 2 LEU A 91 ASP A 93 1 O LEU A 91 N VAL A 6
SHEET 1 B 4 VAL A 35 VAL A 36 0
SHEET 2 B 4 TYR A 52 GLU A 54 -1 N GLU A 54 O VAL A 35
SHEET 3 B 4 ILE A 70 GLY A 73 -1 O THR A 72 N HIS A 53
SHEET 4 B 4 TYR A 80 TYR A 81 -1 N TYR A 80 O ILE A 71
SSBOND 1 CYS A 7 CYS A 96 1555 1555 2.04
CISPEP 1 GLY A 26 PRO A 27 1 -0.89
CISPEP 2 GLY A 26 PRO A 27 2 -1.51
CISPEP 3 GLY A 26 PRO A 27 3 -2.62
CISPEP 4 GLY A 26 PRO A 27 4 0.13
CISPEP 5 GLY A 26 PRO A 27 5 -3.87
CISPEP 6 GLY A 26 PRO A 27 6 -2.72
CISPEP 7 GLY A 26 PRO A 27 7 -1.16
CISPEP 8 GLY A 26 PRO A 27 8 -3.29
CISPEP 9 GLY A 26 PRO A 27 9 -2.89
CISPEP 10 GLY A 26 PRO A 27 10 -0.33
CISPEP 11 GLY A 26 PRO A 27 11 -2.89
CISPEP 12 GLY A 26 PRO A 27 12 -1.62
CISPEP 13 GLY A 26 PRO A 27 13 -3.58
CISPEP 14 GLY A 26 PRO A 27 14 -3.00
CISPEP 15 GLY A 26 PRO A 27 15 -0.44
CISPEP 16 GLY A 26 PRO A 27 16 -2.89
CISPEP 17 GLY A 26 PRO A 27 17 -2.16
CISPEP 18 GLY A 26 PRO A 27 18 -4.44
CISPEP 19 GLY A 26 PRO A 27 19 -2.15
CISPEP 20 GLY A 26 PRO A 27 20 -2.01
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 16 2 Bytes