Header list of 1bw4.pdb file
Complete list - v 29 2 Bytes
HEADER LECTIN 06-JUL-92 1BW4
TITLE THREE-DIMENSIONAL STRUCTURE IN SOLUTION OF BARWIN, A PROTEIN FROM
TITLE 2 BARLEY SEED
COMPND MOL_ID: 1;
COMPND 2 MOLECULE: BARWIN, BASIC BARLEY SEED PROTEIN;
COMPND 3 CHAIN: A;
COMPND 4 ENGINEERED: YES
SOURCE MOL_ID: 1;
SOURCE 2 ORGANISM_SCIENTIFIC: HORDEUM VULGARE;
SOURCE 3 ORGANISM_TAXID: 4513
KEYWDS LECTIN
EXPDTA SOLUTION NMR
NUMMDL 20
AUTHOR F.M.POULSEN
REVDAT 3 29-NOV-17 1BW4 1 REMARK HELIX
REVDAT 2 24-FEB-09 1BW4 1 VERSN
REVDAT 1 31-OCT-93 1BW4 0
JRNL AUTH S.LUDVIGSEN,F.M.POULSEN
JRNL TITL THREE-DIMENSIONAL STRUCTURE IN SOLUTION OF BARWIN, A PROTEIN
JRNL TITL 2 FROM BARLEY SEED.
JRNL REF BIOCHEMISTRY V. 31 8783 1992
JRNL REFN ISSN 0006-2960
JRNL PMID 1390665
JRNL DOI 10.1021/BI00152A014
REMARK 1
REMARK 1 REFERENCE 1
REMARK 1 AUTH B.SVENSSON,I.SVENDSEN,P.HOJRUP,P.ROEPSTORFF,S.LUDVIGSEN,
REMARK 1 AUTH 2 F.M.POULSEN
REMARK 1 TITL PRIMARY STRUCTURE OF BARWIN. A BARLEY SEED PROTEIN CLOSELY
REMARK 1 TITL 2 RELATED TO THE C-TERMINAL DOMAIN OF PROTEINS ENCODED BY
REMARK 1 TITL 3 WOUND-INDUCED PLANT GENES
REMARK 1 REF BIOCHEMISTRY V. 31 8767 1992
REMARK 1 REFN ISSN 0006-2960
REMARK 1 REFERENCE 2
REMARK 1 AUTH S.LUDVIGSEN,F.M.POULSEN
REMARK 1 TITL THE SECONDARY STRUCTURE IN SOLUTION OF BARWIN FROM BARLEY
REMARK 1 TITL 2 SEED USING 1H NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY
REMARK 1 REF BIOCHEMISTRY V. 31 8771 1992
REMARK 1 REFN ISSN 0006-2960
REMARK 2
REMARK 2 RESOLUTION. NOT APPLICABLE.
REMARK 3
REMARK 3 REFINEMENT.
REMARK 3 PROGRAM : X-PLOR
REMARK 3 AUTHORS : BRUNGER
REMARK 3
REMARK 3 OTHER REFINEMENT REMARKS: NULL
REMARK 4
REMARK 4 1BW4 COMPLIES WITH FORMAT V. 3.15, 01-DEC-08
REMARK 100
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY BNL.
REMARK 100 THE DEPOSITION ID IS D_1000172118.
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 : NULL
REMARK 210
REMARK 210 NMR EXPERIMENTS CONDUCTED : NULL
REMARK 210 SPECTROMETER FIELD STRENGTH : NULL
REMARK 210 SPECTROMETER MODEL : NULL
REMARK 210 SPECTROMETER MANUFACTURER : NULL
REMARK 210
REMARK 210 STRUCTURE DETERMINATION.
REMARK 210 SOFTWARE USED : NULL
REMARK 210 METHOD USED : NULL
REMARK 210
REMARK 210 CONFORMERS, NUMBER CALCULATED : NULL
REMARK 210 CONFORMERS, NUMBER SUBMITTED : 20
REMARK 210 CONFORMERS, SELECTION CRITERIA : NULL
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
REMARK 500 REMARK: NULL
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 TRP A 48 CG TRP A 48 CD2 -0.103
REMARK 500 1 TRP A 48 NE1 TRP A 48 CE2 -0.080
REMARK 500 2 TRP A 48 CG TRP A 48 CD2 -0.108
REMARK 500 3 TRP A 48 CG TRP A 48 CD2 -0.104
REMARK 500 4 PHE A 51 CA PHE A 51 CB 0.135
REMARK 500 4 GLY A 64 CA GLY A 64 C 0.102
REMARK 500 5 TRP A 42 CA TRP A 42 CB -0.167
REMARK 500 5 TRP A 42 CG TRP A 42 CD2 -0.131
REMARK 500 6 PRO A 15 CA PRO A 15 CB -0.114
REMARK 500 6 TRP A 42 CA TRP A 42 CB -0.177
REMARK 500 6 GLY A 47 N GLY A 47 CA 0.092
REMARK 500 11 TRP A 48 CG TRP A 48 CD2 -0.113
REMARK 500 12 TRP A 48 CG TRP A 48 CD2 -0.103
REMARK 500 12 TRP A 48 NE1 TRP A 48 CE2 -0.083
REMARK 500 12 TRP A 48 CD2 TRP A 48 CE3 -0.090
REMARK 500 13 LEU A 93 CA LEU A 93 CB 0.155
REMARK 500 15 TRP A 48 NE1 TRP A 48 CE2 -0.087
REMARK 500 15 LEU A 93 CA LEU A 93 CB 0.145
REMARK 500 18 TRP A 48 CG TRP A 48 CD2 -0.105
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 ARG A 7 NE - CZ - NH2 ANGL. DEV. = -3.1 DEGREES
REMARK 500 1 ARG A 14 NE - CZ - NH2 ANGL. DEV. = -7.2 DEGREES
REMARK 500 1 TRP A 20 CD1 - NE1 - CE2 ANGL. DEV. = 6.3 DEGREES
REMARK 500 1 LEU A 22 CB - CG - CD1 ANGL. DEV. = -12.9 DEGREES
REMARK 500 1 TRP A 34 CG - CD1 - NE1 ANGL. DEV. = -7.6 DEGREES
REMARK 500 1 TRP A 34 CD1 - NE1 - CE2 ANGL. DEV. = 8.0 DEGREES
REMARK 500 1 TRP A 34 NE1 - CE2 - CZ2 ANGL. DEV. = 7.9 DEGREES
REMARK 500 1 TRP A 42 CG - CD1 - NE1 ANGL. DEV. = -7.3 DEGREES
REMARK 500 1 TRP A 42 CD1 - NE1 - CE2 ANGL. DEV. = 8.1 DEGREES
REMARK 500 1 ARG A 43 NE - CZ - NH1 ANGL. DEV. = -3.8 DEGREES
REMARK 500 1 TRP A 48 CB - CA - C ANGL. DEV. = -12.2 DEGREES
REMARK 500 1 TRP A 48 CD1 - NE1 - CE2 ANGL. DEV. = 8.0 DEGREES
REMARK 500 1 TRP A 48 NE1 - CE2 - CZ2 ANGL. DEV. = 9.2 DEGREES
REMARK 500 1 TRP A 48 NE1 - CE2 - CD2 ANGL. DEV. = -8.5 DEGREES
REMARK 500 1 TRP A 48 CE2 - CD2 - CG ANGL. DEV. = 6.5 DEGREES
REMARK 500 1 TRP A 48 CG - CD2 - CE3 ANGL. DEV. = -8.2 DEGREES
REMARK 500 1 ALA A 50 N - CA - CB ANGL. DEV. = 9.8 DEGREES
REMARK 500 1 ALA A 50 N - CA - C ANGL. DEV. = -20.4 DEGREES
REMARK 500 1 CYS A 52 CA - CB - SG ANGL. DEV. = 9.7 DEGREES
REMARK 500 1 ARG A 68 NE - CZ - NH1 ANGL. DEV. = -6.3 DEGREES
REMARK 500 1 ARG A 81 NE - CZ - NH2 ANGL. DEV. = -3.5 DEGREES
REMARK 500 1 CYS A 86 CA - CB - SG ANGL. DEV. = 8.4 DEGREES
REMARK 500 1 TRP A 95 CA - CB - CG ANGL. DEV. = -14.4 DEGREES
REMARK 500 1 TRP A 95 CG - CD1 - NE1 ANGL. DEV. = -7.7 DEGREES
REMARK 500 1 TRP A 95 CD1 - NE1 - CE2 ANGL. DEV. = 8.4 DEGREES
REMARK 500 1 ARG A 124 NE - CZ - NH1 ANGL. DEV. = -5.9 DEGREES
REMARK 500 2 ARG A 7 NE - CZ - NH2 ANGL. DEV. = -3.8 DEGREES
REMARK 500 2 TRP A 20 CA - CB - CG ANGL. DEV. = 12.0 DEGREES
REMARK 500 2 TRP A 20 CD1 - NE1 - CE2 ANGL. DEV. = 5.8 DEGREES
REMARK 500 2 TYR A 30 CB - CG - CD1 ANGL. DEV. = -3.8 DEGREES
REMARK 500 2 TRP A 34 CG - CD1 - NE1 ANGL. DEV. = -7.6 DEGREES
REMARK 500 2 TRP A 34 CD1 - NE1 - CE2 ANGL. DEV. = 7.9 DEGREES
REMARK 500 2 TRP A 34 NE1 - CE2 - CZ2 ANGL. DEV. = 7.7 DEGREES
REMARK 500 2 TRP A 42 CG - CD1 - NE1 ANGL. DEV. = -7.2 DEGREES
REMARK 500 2 TRP A 42 CD1 - NE1 - CE2 ANGL. DEV. = 8.3 DEGREES
REMARK 500 2 TRP A 42 NE1 - CE2 - CZ2 ANGL. DEV. = 8.3 DEGREES
REMARK 500 2 TRP A 48 CD1 - CG - CD2 ANGL. DEV. = 5.9 DEGREES
REMARK 500 2 TRP A 48 CG - CD1 - NE1 ANGL. DEV. = -9.6 DEGREES
REMARK 500 2 TRP A 48 CD1 - NE1 - CE2 ANGL. DEV. = 7.3 DEGREES
REMARK 500 2 TRP A 48 NE1 - CE2 - CZ2 ANGL. DEV. = 6.9 DEGREES
REMARK 500 2 CYS A 52 CA - CB - SG ANGL. DEV. = 8.1 DEGREES
REMARK 500 2 ARG A 68 NE - CZ - NH2 ANGL. DEV. = -3.9 DEGREES
REMARK 500 2 ARG A 81 NE - CZ - NH1 ANGL. DEV. = -3.9 DEGREES
REMARK 500 2 CYS A 86 CA - CB - SG ANGL. DEV. = 9.8 DEGREES
REMARK 500 2 LEU A 93 CB - CA - C ANGL. DEV. = -13.2 DEGREES
REMARK 500 2 LEU A 93 N - CA - CB ANGL. DEV. = 13.6 DEGREES
REMARK 500 2 LEU A 93 N - CA - C ANGL. DEV. = -21.9 DEGREES
REMARK 500 2 ASP A 94 CB - CG - OD2 ANGL. DEV. = -6.1 DEGREES
REMARK 500 2 TRP A 95 CA - CB - CG ANGL. DEV. = -13.2 DEGREES
REMARK 500 2 TRP A 95 CG - CD1 - NE1 ANGL. DEV. = -6.8 DEGREES
REMARK 500
REMARK 500 THIS ENTRY HAS 580 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 5 60.78 37.25
REMARK 500 1 PRO A 15 -73.68 -56.57
REMARK 500 1 ALA A 16 -50.19 -20.92
REMARK 500 1 GLN A 17 -58.31 -19.21
REMARK 500 1 ASN A 19 22.32 38.36
REMARK 500 1 LEU A 22 -17.88 -49.27
REMARK 500 1 ALA A 24 116.69 -39.61
REMARK 500 1 ALA A 26 -9.43 -53.47
REMARK 500 1 VAL A 27 -64.61 -108.43
REMARK 500 1 SER A 28 66.95 30.46
REMARK 500 1 LEU A 40 -35.83 -16.52
REMARK 500 1 SER A 41 -79.76 -43.49
REMARK 500 1 GLN A 60 -91.21 -21.02
REMARK 500 1 CYS A 63 76.51 -56.74
REMARK 500 1 ILE A 82 104.17 -58.34
REMARK 500 1 LEU A 91 -66.56 144.41
REMARK 500 1 LEU A 93 77.11 -114.21
REMARK 500 1 ASP A 94 -85.67 -90.13
REMARK 500 1 TRP A 95 -42.54 71.17
REMARK 500 1 VAL A 98 -73.91 -90.14
REMARK 500 1 THR A 100 -7.30 -51.30
REMARK 500 1 THR A 104 -148.60 -89.53
REMARK 500 1 ASN A 105 34.16 -80.07
REMARK 500 1 ARG A 124 72.43 30.06
REMARK 500 2 ASP A 5 48.75 30.92
REMARK 500 2 ARG A 14 -55.99 -15.74
REMARK 500 2 ALA A 16 -38.38 -30.13
REMARK 500 2 GLN A 17 -50.17 -25.08
REMARK 500 2 ASN A 18 62.89 -109.64
REMARK 500 2 ASN A 19 38.20 32.78
REMARK 500 2 TRP A 20 46.89 29.85
REMARK 500 2 ASP A 21 92.20 -59.42
REMARK 500 2 LEU A 22 -4.13 -53.90
REMARK 500 2 PRO A 25 -58.47 -28.59
REMARK 500 2 VAL A 27 -71.08 -102.26
REMARK 500 2 SER A 28 53.37 29.96
REMARK 500 2 TYR A 30 -56.36 -22.69
REMARK 500 2 PRO A 39 150.24 -49.50
REMARK 500 2 SER A 41 -59.10 -28.03
REMARK 500 2 TYR A 46 -162.26 -106.58
REMARK 500 2 TRP A 48 49.97 93.52
REMARK 500 2 CYS A 52 64.73 -160.03
REMARK 500 2 PRO A 54 -75.49 -62.93
REMARK 500 2 ARG A 58 59.14 -105.87
REMARK 500 2 ALA A 62 -66.85 -104.47
REMARK 500 2 CYS A 63 105.33 -43.07
REMARK 500 2 PRO A 72 -9.95 -55.41
REMARK 500 2 ASN A 88 -143.76 -138.25
REMARK 500 2 LEU A 91 -58.34 166.05
REMARK 500 2 ASP A 92 -162.53 -162.53
REMARK 500
REMARK 500 THIS ENTRY HAS 555 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 ARG A 14 PRO A 15 2 -37.52
REMARK 500 ARG A 14 PRO A 15 11 -65.72
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 7 0.29 SIDE CHAIN
REMARK 500 1 ARG A 14 0.10 SIDE CHAIN
REMARK 500 1 ARG A 43 0.31 SIDE CHAIN
REMARK 500 1 ARG A 58 0.30 SIDE CHAIN
REMARK 500 1 ARG A 68 0.26 SIDE CHAIN
REMARK 500 1 ARG A 81 0.11 SIDE CHAIN
REMARK 500 1 ARG A 124 0.31 SIDE CHAIN
REMARK 500 2 ARG A 7 0.29 SIDE CHAIN
REMARK 500 2 ARG A 14 0.25 SIDE CHAIN
REMARK 500 2 ARG A 43 0.24 SIDE CHAIN
REMARK 500 2 ARG A 58 0.29 SIDE CHAIN
REMARK 500 2 ARG A 68 0.11 SIDE CHAIN
REMARK 500 2 ARG A 81 0.25 SIDE CHAIN
REMARK 500 2 ARG A 124 0.10 SIDE CHAIN
REMARK 500 3 ARG A 7 0.30 SIDE CHAIN
REMARK 500 3 ARG A 14 0.14 SIDE CHAIN
REMARK 500 3 ARG A 43 0.13 SIDE CHAIN
REMARK 500 3 ARG A 58 0.31 SIDE CHAIN
REMARK 500 3 ARG A 68 0.17 SIDE CHAIN
REMARK 500 3 ARG A 81 0.22 SIDE CHAIN
REMARK 500 3 ARG A 124 0.31 SIDE CHAIN
REMARK 500 4 ARG A 7 0.27 SIDE CHAIN
REMARK 500 4 ARG A 14 0.30 SIDE CHAIN
REMARK 500 4 ARG A 43 0.28 SIDE CHAIN
REMARK 500 4 ARG A 58 0.24 SIDE CHAIN
REMARK 500 4 ARG A 68 0.16 SIDE CHAIN
REMARK 500 4 ARG A 81 0.12 SIDE CHAIN
REMARK 500 4 ARG A 124 0.28 SIDE CHAIN
REMARK 500 5 ARG A 7 0.30 SIDE CHAIN
REMARK 500 5 ARG A 14 0.25 SIDE CHAIN
REMARK 500 5 ARG A 43 0.27 SIDE CHAIN
REMARK 500 5 ARG A 58 0.21 SIDE CHAIN
REMARK 500 5 ARG A 81 0.18 SIDE CHAIN
REMARK 500 5 ARG A 124 0.27 SIDE CHAIN
REMARK 500 6 ARG A 7 0.30 SIDE CHAIN
REMARK 500 6 ARG A 14 0.20 SIDE CHAIN
REMARK 500 6 ARG A 43 0.29 SIDE CHAIN
REMARK 500 6 ARG A 58 0.32 SIDE CHAIN
REMARK 500 6 ARG A 68 0.14 SIDE CHAIN
REMARK 500 6 ARG A 81 0.25 SIDE CHAIN
REMARK 500 6 ARG A 124 0.21 SIDE CHAIN
REMARK 500 7 ARG A 7 0.10 SIDE CHAIN
REMARK 500 7 ARG A 14 0.28 SIDE CHAIN
REMARK 500 7 ARG A 43 0.13 SIDE CHAIN
REMARK 500 7 ARG A 58 0.28 SIDE CHAIN
REMARK 500 7 ARG A 68 0.27 SIDE CHAIN
REMARK 500 7 ARG A 81 0.17 SIDE CHAIN
REMARK 500 7 ARG A 124 0.32 SIDE CHAIN
REMARK 500 8 ARG A 7 0.29 SIDE CHAIN
REMARK 500 8 ARG A 14 0.19 SIDE CHAIN
REMARK 500
REMARK 500 THIS ENTRY HAS 138 PLANE DEVIATIONS.
REMARK 500
REMARK 500 REMARK: NULL
DBREF 1BW4 A 2 125 UNP P28814 BARW_HORVU 2 125
SEQRES 1 A 125 GLU GLN ALA ASN ASP VAL ARG ALA THR TYR HIS TYR TYR
SEQRES 2 A 125 ARG PRO ALA GLN ASN ASN TRP ASP LEU GLY ALA PRO ALA
SEQRES 3 A 125 VAL SER ALA TYR CYS ALA THR TRP ASP ALA SER LYS PRO
SEQRES 4 A 125 LEU SER TRP ARG SER LYS TYR GLY TRP THR ALA PHE CYS
SEQRES 5 A 125 GLY PRO ALA GLY PRO ARG GLY GLN ALA ALA CYS GLY LYS
SEQRES 6 A 125 CYS LEU ARG VAL THR ASN PRO ALA THR GLY ALA GLN ILE
SEQRES 7 A 125 THR ALA ARG ILE VAL ASP GLN CYS ALA ASN GLY GLY LEU
SEQRES 8 A 125 ASP LEU ASP TRP ASP THR VAL PHE THR LYS ILE ASP THR
SEQRES 9 A 125 ASN GLY ILE GLY TYR GLN GLN GLY HIS LEU ASN VAL ASN
SEQRES 10 A 125 TYR GLN PHE VAL ASP CYS ARG ASP
HELIX 1 A1 TYR A 30 LYS A 38 1 9
HELIX 2 A2 LEU A 40 TYR A 46 1 7
HELIX 3 A3 THR A 97 ASP A 103 1 7
HELIX 4 A4 GLY A 106 GLN A 111 5 6
SHEET 1 IA 4 GLN A 2 THR A 9 0
SHEET 2 IA 4 HIS A 113 VAL A 121 -1 N LEU A 114 O ALA A 8
SHEET 3 IA 4 CYS A 66 ASN A 71 -1 N CYS A 66 O VAL A 121
SHEET 4 IA 4 GLY A 75 ARG A 81 -1 N ILE A 78 O VAL A 69
SHEET 1 IB 4 TYR A 10 TYR A 13 0
SHEET 2 IB 4 GLY A 90 ASP A 94 1 N ASP A 92 O HIS A 11
SHEET 3 IB 4 TRP A 48 CYS A 52 -1 N CYS A 52 O LEU A 91
SHEET 4 IB 4 VAL A 83 ALA A 87 1 N VAL A 83 O THR A 49
SSBOND 1 CYS A 31 CYS A 63 1555 1555 2.02
SSBOND 2 CYS A 52 CYS A 86 1555 1555 2.02
SSBOND 3 CYS A 66 CYS A 123 1555 1555 2.02
CISPEP 1 ARG A 14 PRO A 15 6 -25.60
CISPEP 2 GLY A 53 PRO A 54 9 -6.66
CISPEP 3 ARG A 14 PRO A 15 15 -10.71
CISPEP 4 GLY A 53 PRO A 54 17 9.10
CISPEP 5 ARG A 14 PRO A 15 20 -27.70
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 - v 29 2 Bytes