Header list of 1ovf.pdb file
Complete list - 25 20 Bytes
HEADER DNA/ANTIBIOTIC 26-MAR-03 1OVF
TITLE NMR STRUCTURE OF ACTD/5'-CCGTTTTGTGG-3' COMPLEX
COMPND MOL_ID: 1;
COMPND 2 MOLECULE: (5'-D(*CP*CP*GP*TP*TP*TP*TP*GP*TP*GP*G)-3');
COMPND 3 CHAIN: A;
COMPND 4 ENGINEERED: YES;
COMPND 5 MOL_ID: 2;
COMPND 6 MOLECULE: ACTINOMYCIN D;
COMPND 7 CHAIN: B;
COMPND 8 SYNONYM: DACTINOMYCIN;
COMPND 9 ENGINEERED: YES
SOURCE MOL_ID: 1;
SOURCE 2 SYNTHETIC: YES;
SOURCE 3 MOL_ID: 2;
SOURCE 4 SYNTHETIC: YES;
SOURCE 5 ORGANISM_SCIENTIFIC: STREPTOMYCES ANTIBIOTICUS;
SOURCE 6 ORGANISM_TAXID: 1890
KEYWDS ACTINOMYCIN D, ACTINOMYCIN, ANTIBIOTIC, ANTI CANCER, ANTITUMOR,
KEYWDS 2 CHROMOPHORE, DEPSIPEPTIDE, MISMATCH, DNA-ANTIBIOTIC COMPLEX
EXPDTA SOLUTION NMR
NUMMDL 10
AUTHOR K.-H.CHIN,S.-H.CHOU,F.-M.CHEN
REVDAT 4 27-JUL-11 1OVF 1 ATOM REMARK
REVDAT 3 13-JUL-11 1OVF 1 VERSN
REVDAT 2 24-FEB-09 1OVF 1 VERSN
REVDAT 1 27-MAY-03 1OVF 0
JRNL AUTH K.-H.CHIN,F.-M.CHEN,S.-H.CHOU
JRNL TITL SOLUTION STRUCTURE OF THE ACTD-5'-CCGTT(3)GTGG-3' COMPLEX:
JRNL TITL 2 DRUG INTERACTION WITH TANDEM G.T MISMATCHES AND HAIRPIN LOOP
JRNL TITL 3 BACKBONE.
JRNL REF NUCLEIC ACIDS RES. V. 31 2622 2003
JRNL REFN ISSN 0305-1048
JRNL PMID 12736312
JRNL DOI 10.1093/NAR/GKG353
REMARK 2
REMARK 2 RESOLUTION. NOT APPLICABLE.
REMARK 3
REMARK 3 REFINEMENT.
REMARK 3 PROGRAM : DGII
REMARK 3 AUTHORS : NULL
REMARK 3
REMARK 3 OTHER REFINEMENT REMARKS: NULL
REMARK 4
REMARK 4 1OVF COMPLIES WITH FORMAT V. 3.15, 01-DEC-08
REMARK 100
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 02-APR-03.
REMARK 100 THE RCSB ID CODE IS RCSB018704.
REMARK 210
REMARK 210 EXPERIMENTAL DETAILS
REMARK 210 EXPERIMENT TYPE : NMR
REMARK 210 TEMPERATURE (KELVIN) : NULL
REMARK 210 PH : NULL
REMARK 210 IONIC STRENGTH : NULL
REMARK 210 PRESSURE : NULL
REMARK 210 SAMPLE CONTENTS : 10MM PHOSPHATE BUFFER; 20MM
REMARK 210 NACL, 90% H2O, 10% D2O; 10MM
REMARK 210 PHOSPHATE BUFFER; 20MM NACL
REMARK 210
REMARK 210 NMR EXPERIMENTS CONDUCTED : 2D NOESY; DQF-COSY; 2D TOCSY
REMARK 210 SPECTROMETER FIELD STRENGTH : 600 MHZ
REMARK 210 SPECTROMETER MODEL : NULL
REMARK 210 SPECTROMETER MANUFACTURER : VARIAN
REMARK 210
REMARK 210 STRUCTURE DETERMINATION.
REMARK 210 SOFTWARE USED : VNMR, FELIX, DGII
REMARK 210 METHOD USED : DISTANCE GEOMETRY, SIMULATED
REMARK 210 ANNEALING, MOLECULAR DYNAMICS
REMARK 210
REMARK 210 CONFORMERS, NUMBER CALCULATED : NULL
REMARK 210 CONFORMERS, NUMBER SUBMITTED : 10
REMARK 210 CONFORMERS, SELECTION CRITERIA : NULL
REMARK 210
REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : 1
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: DIMERIC
REMARK 350 APPLY THE FOLLOWING TO CHAINS: A, B
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 400
REMARK 400 COMPOUND
REMARK 400 ACTINOMYCIN D IS A BICYCLIC PEPTIDE, A MEMBER OF THE
REMARK 400 ACTINOMYCIN FAMILY.
REMARK 400 HERE, ACTINOMYCIN D IS REPRESENTED BY THE SEQUENCE (SEQRES)
REMARK 400
REMARK 400 GROUP: 1
REMARK 400 NAME: ACTINOMYCIN D
REMARK 400 CHAIN: B
REMARK 400 COMPONENT_1: PEPTIDE LIKE SEQUENCE RESIDUES 1 TO 11
REMARK 400 DESCRIPTION: ACTINOMYCIN D CONSISTS OF TWO PENTAMER
REMARK 400 RINGS LINKED BY THE CHROMOPHORE (PXZ)
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 DC A 1 O4' - C1' - N1 ANGL. DEV. = 6.4 DEGREES
REMARK 500 1 DC A 2 O4' - C1' - N1 ANGL. DEV. = 2.0 DEGREES
REMARK 500 1 DG A 3 O4' - C1' - N9 ANGL. DEV. = 3.7 DEGREES
REMARK 500 1 DT A 4 O4' - C1' - N1 ANGL. DEV. = 4.1 DEGREES
REMARK 500 1 DT A 4 C6 - C5 - C7 ANGL. DEV. = -3.6 DEGREES
REMARK 500 1 DT A 5 O4' - C1' - N1 ANGL. DEV. = 5.2 DEGREES
REMARK 500 1 DT A 6 O4' - C1' - N1 ANGL. DEV. = 2.4 DEGREES
REMARK 500 1 DT A 7 O4' - C1' - N1 ANGL. DEV. = 3.3 DEGREES
REMARK 500 1 DG A 10 O4' - C1' - N9 ANGL. DEV. = 2.7 DEGREES
REMARK 500 1 DG A 11 O4' - C1' - N9 ANGL. DEV. = 3.2 DEGREES
REMARK 500 2 DC A 1 O4' - C1' - N1 ANGL. DEV. = 6.7 DEGREES
REMARK 500 2 DC A 2 O4' - C1' - N1 ANGL. DEV. = 2.3 DEGREES
REMARK 500 2 DG A 3 O4' - C1' - N9 ANGL. DEV. = 3.9 DEGREES
REMARK 500 2 DT A 4 O4' - C1' - N1 ANGL. DEV. = 4.1 DEGREES
REMARK 500 2 DT A 5 O4' - C1' - N1 ANGL. DEV. = 5.1 DEGREES
REMARK 500 2 DT A 6 O4' - C1' - N1 ANGL. DEV. = 2.6 DEGREES
REMARK 500 2 DT A 7 O4' - C1' - N1 ANGL. DEV. = 3.5 DEGREES
REMARK 500 2 DG A 10 O4' - C1' - N9 ANGL. DEV. = 3.0 DEGREES
REMARK 500 2 DG A 11 O4' - C1' - N9 ANGL. DEV. = 3.2 DEGREES
REMARK 500 3 DC A 1 O4' - C1' - N1 ANGL. DEV. = 6.1 DEGREES
REMARK 500 3 DG A 3 O4' - C1' - N9 ANGL. DEV. = 2.8 DEGREES
REMARK 500 3 DT A 4 O4' - C1' - N1 ANGL. DEV. = 4.1 DEGREES
REMARK 500 3 DT A 4 C6 - C5 - C7 ANGL. DEV. = -3.7 DEGREES
REMARK 500 3 DT A 5 O4' - C1' - N1 ANGL. DEV. = 5.4 DEGREES
REMARK 500 3 DT A 6 O4' - C1' - N1 ANGL. DEV. = 2.5 DEGREES
REMARK 500 3 DT A 7 O4' - C1' - N1 ANGL. DEV. = 3.3 DEGREES
REMARK 500 3 DG A 10 O4' - C1' - N9 ANGL. DEV. = 2.7 DEGREES
REMARK 500 4 DC A 1 O4' - C1' - N1 ANGL. DEV. = 3.8 DEGREES
REMARK 500 4 DG A 3 O4' - C1' - N9 ANGL. DEV. = 4.7 DEGREES
REMARK 500 4 DT A 4 O4' - C1' - N1 ANGL. DEV. = 4.5 DEGREES
REMARK 500 4 DT A 5 O4' - C1' - N1 ANGL. DEV. = 4.3 DEGREES
REMARK 500 4 DT A 6 O4' - C1' - N1 ANGL. DEV. = 6.2 DEGREES
REMARK 500 4 DT A 7 O4' - C1' - N1 ANGL. DEV. = 4.1 DEGREES
REMARK 500 4 DT A 7 C6 - C5 - C7 ANGL. DEV. = -3.7 DEGREES
REMARK 500 4 DG A 8 O4' - C1' - N9 ANGL. DEV. = 2.0 DEGREES
REMARK 500 4 DT A 9 O4' - C1' - N1 ANGL. DEV. = 2.7 DEGREES
REMARK 500 4 DG A 10 O4' - C1' - N9 ANGL. DEV. = 3.1 DEGREES
REMARK 500 4 DG A 11 O4' - C1' - N9 ANGL. DEV. = 2.9 DEGREES
REMARK 500 5 DC A 1 O4' - C1' - N1 ANGL. DEV. = 5.2 DEGREES
REMARK 500 5 DG A 3 O4' - C1' - N9 ANGL. DEV. = 4.1 DEGREES
REMARK 500 5 DT A 4 O4' - C1' - N1 ANGL. DEV. = 4.2 DEGREES
REMARK 500 5 DT A 5 O4' - C1' - N1 ANGL. DEV. = 4.9 DEGREES
REMARK 500 5 DT A 6 O4' - C1' - N1 ANGL. DEV. = 3.3 DEGREES
REMARK 500 5 DT A 7 O4' - C1' - N1 ANGL. DEV. = 3.6 DEGREES
REMARK 500 5 DT A 7 C6 - C5 - C7 ANGL. DEV. = -3.7 DEGREES
REMARK 500 5 DT A 9 O4' - C1' - N1 ANGL. DEV. = 2.4 DEGREES
REMARK 500 5 DG A 10 O4' - C1' - N9 ANGL. DEV. = 3.1 DEGREES
REMARK 500 5 DG A 11 O4' - C1' - N9 ANGL. DEV. = 2.9 DEGREES
REMARK 500 6 DC A 1 O4' - C1' - N1 ANGL. DEV. = 3.8 DEGREES
REMARK 500 6 DG A 3 O4' - C1' - N9 ANGL. DEV. = 4.2 DEGREES
REMARK 500
REMARK 500 THIS ENTRY HAS 97 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 DVA B 8 -109.54 59.54
REMARK 500 2 DVA B 8 -109.43 59.09
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 DC A 2 0.13 SIDE CHAIN
REMARK 500 1 DT A 5 0.08 SIDE CHAIN
REMARK 500 1 DT A 7 0.07 SIDE CHAIN
REMARK 500 1 DG A 8 0.09 SIDE CHAIN
REMARK 500 2 DC A 2 0.14 SIDE CHAIN
REMARK 500 2 DT A 5 0.08 SIDE CHAIN
REMARK 500 2 DT A 7 0.07 SIDE CHAIN
REMARK 500 2 DG A 8 0.09 SIDE CHAIN
REMARK 500 3 DC A 1 0.07 SIDE CHAIN
REMARK 500 3 DC A 2 0.16 SIDE CHAIN
REMARK 500 3 DT A 5 0.08 SIDE CHAIN
REMARK 500 3 DT A 7 0.07 SIDE CHAIN
REMARK 500 3 DG A 8 0.09 SIDE CHAIN
REMARK 500 4 DC A 2 0.12 SIDE CHAIN
REMARK 500 4 DT A 6 0.07 SIDE CHAIN
REMARK 500 4 DT A 7 0.06 SIDE CHAIN
REMARK 500 4 DG A 8 0.05 SIDE CHAIN
REMARK 500 5 DC A 2 0.12 SIDE CHAIN
REMARK 500 5 DT A 5 0.08 SIDE CHAIN
REMARK 500 5 DT A 7 0.06 SIDE CHAIN
REMARK 500 5 DG A 8 0.07 SIDE CHAIN
REMARK 500 6 DC A 2 0.14 SIDE CHAIN
REMARK 500 6 DT A 5 0.08 SIDE CHAIN
REMARK 500 6 DT A 6 0.08 SIDE CHAIN
REMARK 500 6 DT A 7 0.07 SIDE CHAIN
REMARK 500 6 DG A 8 0.07 SIDE CHAIN
REMARK 500 7 DC A 2 0.12 SIDE CHAIN
REMARK 500 7 DT A 5 0.07 SIDE CHAIN
REMARK 500 7 DT A 6 0.08 SIDE CHAIN
REMARK 500 7 DT A 7 0.07 SIDE CHAIN
REMARK 500 7 DG A 8 0.06 SIDE CHAIN
REMARK 500 8 DC A 2 0.13 SIDE CHAIN
REMARK 500 8 DT A 5 0.07 SIDE CHAIN
REMARK 500 8 DT A 6 0.07 SIDE CHAIN
REMARK 500 8 DT A 7 0.07 SIDE CHAIN
REMARK 500 8 DG A 8 0.06 SIDE CHAIN
REMARK 500 9 DC A 2 0.13 SIDE CHAIN
REMARK 500 9 DT A 7 0.08 SIDE CHAIN
REMARK 500 9 DG A 8 0.07 SIDE CHAIN
REMARK 500 10 DC A 2 0.14 SIDE CHAIN
REMARK 500 10 DT A 5 0.09 SIDE CHAIN
REMARK 500 10 DT A 6 0.09 SIDE CHAIN
REMARK 500 10 DT A 7 0.08 SIDE CHAIN
REMARK 500 10 DG A 8 0.09 SIDE CHAIN
REMARK 500
REMARK 500 REMARK: NULL
REMARK 800
REMARK 800 SITE
REMARK 800 SITE_IDENTIFIER: AC1
REMARK 800 EVIDENCE_CODE: SOFTWARE
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR CHAIN B OF ACTINOMYCIN D
REMARK 900
REMARK 900 RELATED ENTRIES
REMARK 900 RELATED ID: 1A7Z RELATED DB: PDB
REMARK 900 CRYSTAL STRUCTURE OF ACTINOMYCIN Z3
REMARK 900 RELATED ID: 209D RELATED DB: PDB
REMARK 900 CRYSTAL STRUCTURE OF N8-ACTINOMYCIN D COMPLEXED WITH
REMARK 900 D(GAAGCTTC)2
REMARK 900 RELATED ID: 1UNM RELATED DB: PDB
REMARK 900 CRYSTAL STRUCTURE OF 7-AMINOACTINOMYCIN D COMPLEXED WITH
REMARK 900 NON-COMPLEMENTARY DNA
REMARK 900 RELATED ID: 1I3W RELATED DB: PDB
REMARK 900 CRYSTAL STRUCTURE OF ACTINOMYCIN D COMPLEXED WITH DNA
REMARK 900 (CGATCGATCG)2
REMARK 900 RELATED ID: 1A7Y RELATED DB: PDB
REMARK 900 CRYSTAL STRUCTURE OF ACTINOMYCIN D
REMARK 900 RELATED ID: 1FJA RELATED DB: PDB
REMARK 900 SOLUTION STRUCTURE OF ACTINOMYCIN D COMPLEXED WITH DNA
REMARK 900 (AAGCGCTT)2
REMARK 900 RELATED ID: 173D RELATED DB: PDB
REMARK 900 CRYSTAL STRUCTURE OF ACTINOMYCIN D COMPLEXED WITH DNA
REMARK 900 (GAAGCTTC)2
REMARK 900 RELATED ID: 2D55 RELATED DB: PDB
REMARK 900 CRYSTAL STRUCTURE OF ACTINOMYCIN D COMPLEXED WITH DNA
REMARK 900 (GAAGCTTC)2
REMARK 900 RELATED ID: 1DSC RELATED DB: PDB
REMARK 900 SOLUTION STRUCTURE OF ACTINOMYCIN D COMPLEXED WITH DNA
REMARK 900 (GAAGCTTC)2
REMARK 900 RELATED ID: 1L1V RELATED DB: PDB
REMARK 900 SOLUTION STRUCTURE OF ACTNIOMYCIN D COMPLEXED WITH
REMARK 900 MISMATCHED DNA (GTCACCGAC)
REMARK 900 RELATED ID: 316D RELATED DB: PDB
REMARK 900 CRYSTAL STRUCTURE OF F8-ACTINOMYCIN D COMPLEXED WITH DNA
REMARK 900 (GAAGCTTC)2
REMARK 900 RELATED ID: 1DSD RELATED DB: PDB
REMARK 900 SOLUTION STRUCTURE OF ACTINOMYCIN D COMPLEXED WITH DNA
REMARK 900 (GATGCTTC)2
REMARK 900 RELATED ID: 1MNV RELATED DB: PDB
REMARK 900 CRYSTAL STRUCTURE OF ACTINOMYCIN D COMPLEXED WITH DNA
REMARK 900 (ATGCTGCAT)2
REMARK 900 RELATED ID: 1UNJ RELATED DB: PDB
REMARK 900 CRYSTAL STRUCTURE OF 7-AMINO-ACTINOMYCIN D COMPLEXED WITH A
REMARK 900 NON-COMPLEMENTARY DNA (TTAGT)2
REMARK 900 RELATED ID: 1QFI RELATED DB: PDB
REMARK 900 CRYSTAL STRUCTURE OF ACTINOMYCIN X2
DBREF 1OVF A 1 11 PDB 1OVF 1OVF 1 11
DBREF 1OVF B 1 11 NOR NOR00228 NOR00228 1 11
SEQRES 1 A 11 DC DC DG DT DT DT DT DG DT DG DG
SEQRES 1 B 11 THR DVA PRO SAR MVA PXZ THR DVA PRO SAR MVA
HET DVA B 2 16
HET SAR B 4 10
HET MVA B 5 19
HET PXZ B 6 32
HET DVA B 8 16
HET SAR B 10 10
HET MVA B 11 19
HETNAM DVA D-VALINE
HETNAM SAR SARCOSINE
HETNAM MVA N-METHYLVALINE
HETNAM PXZ 2-AMINO-1,9-DICARBONYL-4,6-DIMETHYL-10-DEHYDRO-
HETNAM 2 PXZ PHENOXAZIN-3-ONE
HETSYN PXZ PHENOXAZINE
FORMUL 2 DVA 2(C5 H11 N O2)
FORMUL 2 SAR 2(C3 H7 N O2)
FORMUL 2 MVA 2(C6 H13 N O2)
FORMUL 2 PXZ C16 H12 N2 O4
LINK C THR B 1 N DVA B 2 1555 1555 1.34
LINK OG1 THR B 1 C MVA B 5 1555 1555 1.37
LINK N THR B 1 C PXZ B 6 1555 1555 1.34
LINK C DVA B 2 N PRO B 3 1555 1555 1.35
LINK C PRO B 3 N SAR B 4 1555 1555 1.35
LINK C SAR B 4 N MVA B 5 1555 1555 1.35
LINK C' PXZ B 6 N THR B 7 1555 1555 1.35
LINK C THR B 7 N DVA B 8 1555 1555 1.34
LINK OG1 THR B 7 C MVA B 11 1555 1555 1.38
LINK C DVA B 8 N PRO B 9 1555 1555 1.34
LINK C PRO B 9 N SAR B 10 1555 1555 1.35
LINK C SAR B 10 N MVA B 11 1555 1555 1.35
CISPEP 1 DVA B 2 PRO B 3 1 2.89
CISPEP 2 PRO B 3 SAR B 4 1 2.71
CISPEP 3 DVA B 8 PRO B 9 1 4.65
CISPEP 4 PRO B 9 SAR B 10 1 -8.26
CISPEP 5 DVA B 2 PRO B 3 2 2.87
CISPEP 6 PRO B 3 SAR B 4 2 3.04
CISPEP 7 DVA B 8 PRO B 9 2 4.79
CISPEP 8 PRO B 9 SAR B 10 2 -8.38
CISPEP 9 DVA B 2 PRO B 3 3 4.15
CISPEP 10 PRO B 3 SAR B 4 3 0.06
CISPEP 11 DVA B 8 PRO B 9 3 3.40
CISPEP 12 PRO B 9 SAR B 10 3 -7.33
CISPEP 13 DVA B 2 PRO B 3 4 4.07
CISPEP 14 PRO B 3 SAR B 4 4 -2.81
CISPEP 15 DVA B 8 PRO B 9 4 9.60
CISPEP 16 PRO B 9 SAR B 10 4 -10.63
CISPEP 17 DVA B 2 PRO B 3 5 2.42
CISPEP 18 PRO B 3 SAR B 4 5 -2.89
CISPEP 19 DVA B 8 PRO B 9 5 6.08
CISPEP 20 PRO B 9 SAR B 10 5 -8.35
CISPEP 21 DVA B 2 PRO B 3 6 2.64
CISPEP 22 PRO B 3 SAR B 4 6 -0.67
CISPEP 23 DVA B 8 PRO B 9 6 3.87
CISPEP 24 PRO B 9 SAR B 10 6 -7.99
CISPEP 25 DVA B 2 PRO B 3 7 2.42
CISPEP 26 PRO B 3 SAR B 4 7 -3.36
CISPEP 27 DVA B 8 PRO B 9 7 5.97
CISPEP 28 PRO B 9 SAR B 10 7 -8.61
CISPEP 29 DVA B 2 PRO B 3 8 2.20
CISPEP 30 PRO B 3 SAR B 4 8 -3.28
CISPEP 31 DVA B 8 PRO B 9 8 6.03
CISPEP 32 PRO B 9 SAR B 10 8 -8.74
CISPEP 33 DVA B 2 PRO B 3 9 2.67
CISPEP 34 PRO B 3 SAR B 4 9 -3.87
CISPEP 35 DVA B 8 PRO B 9 9 5.31
CISPEP 36 PRO B 9 SAR B 10 9 -7.76
CISPEP 37 DVA B 2 PRO B 3 10 4.51
CISPEP 38 PRO B 3 SAR B 4 10 -0.15
CISPEP 39 DVA B 8 PRO B 9 10 3.58
CISPEP 40 PRO B 9 SAR B 10 10 -7.03
SITE 1 AC1 9 DC A 2 DG A 3 DT A 4 DT A 5
SITE 2 AC1 9 DT A 6 DT A 7 DG A 8 DT A 9
SITE 3 AC1 9 DG A 10
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 - 25 20 Bytes