Header list of 1w2q.pdb file
Complete list - r 25 2 Bytes
HEADER ALLERGEN 08-JUL-04 1W2Q
TITLE ALLERGEN ARAH6 FROM PEANUT (ARACHIS HYPOGAEA)
COMPND MOL_ID: 1;
COMPND 2 MOLECULE: CONGLUTIN;
COMPND 3 CHAIN: A;
COMPND 4 FRAGMENT: RESIDUES 21-144;
COMPND 5 SYNONYM: ARA H 6;
COMPND 6 ENGINEERED: YES
SOURCE MOL_ID: 1;
SOURCE 2 ORGANISM_SCIENTIFIC: ARACHIS HYPOGAEA;
SOURCE 3 ORGANISM_COMMON: PEANUT;
SOURCE 4 ORGANISM_TAXID: 3818;
SOURCE 5 TISSUE: SEED;
SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI;
SOURCE 7 EXPRESSION_SYSTEM_TAXID: 562;
SOURCE 8 EXPRESSION_SYSTEM_STRAIN: ORIGAMI (DE3);
SOURCE 9 EXPRESSION_SYSTEM_VECTOR: PET32A;
SOURCE 10 EXPRESSION_SYSTEM_PLASMID: PET32A/ARAH6
KEYWDS ALLERGEN, ALLERGENE
EXPDTA SOLUTION NMR
NUMMDL 14
AUTHOR K.LEHMANN,K.SCHWEIMER,P.ROESCH
REVDAT 2 24-FEB-09 1W2Q 1 VERSN
REVDAT 1 02-NOV-05 1W2Q 0
JRNL AUTH K.LEHMANN,K.SCHWEIMER,G.REESE,S.RANDOW,M.SUHR,
JRNL AUTH 2 W.BECKER,S.VIETHS,P.ROESCH
JRNL TITL STRUCTURE AND STABILITY OF 2S ALBUMIN-TYPE PEANUT
JRNL TITL 2 ALLERGENS: IMPLICATIONS FOR THE SEVERITY OF PEANUT
JRNL TITL 3 ALLERGIC REACTIONS.
JRNL REF BIOCHEM.J. V. 395 463 2006
JRNL REFN ISSN 0264-6021
JRNL PMID 16372900
JRNL DOI 10.1042/BJ20051728
REMARK 2
REMARK 2 RESOLUTION. NOT APPLICABLE.
REMARK 3
REMARK 3 REFINEMENT.
REMARK 3 PROGRAM : X-PLOR 3.851
REMARK 3 AUTHORS : BRUNGER
REMARK 3
REMARK 3 OTHER REFINEMENT REMARKS: NULL
REMARK 4
REMARK 4 1W2Q COMPLIES WITH FORMAT V. 3.15, 01-DEC-08
REMARK 100
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBE ON 09-JUL-04.
REMARK 100 THE PDBE ID CODE IS EBI-15127.
REMARK 210
REMARK 210 EXPERIMENTAL DETAILS
REMARK 210 EXPERIMENT TYPE : NMR
REMARK 210 TEMPERATURE (KELVIN) : 298
REMARK 210 PH : 7.0
REMARK 210 IONIC STRENGTH : NULL
REMARK 210 PRESSURE : NULL
REMARK 210 SAMPLE CONTENTS : NULL
REMARK 210
REMARK 210 NMR EXPERIMENTS CONDUCTED : 3D-15N NOESY, 3D-13C
REMARK 210 NOESY, 3D (13C,15N)
REMARK 210 HMQC-NOESY-HSQC, 3D HNHA
REMARK 210 SPECTROMETER FIELD STRENGTH : 600; 750
REMARK 210 SPECTROMETER MODEL : DRX600; DMX750
REMARK 210 SPECTROMETER MANUFACTURER : BRUKER
REMARK 210
REMARK 210 STRUCTURE DETERMINATION.
REMARK 210 SOFTWARE USED : XPLOR 3.8.5.1
REMARK 210 METHOD USED : RESTRAINT MOLECULAR DYNAMICS
REMARK 210
REMARK 210 CONFORMERS, NUMBER CALCULATED : NULL
REMARK 210 CONFORMERS, NUMBER SUBMITTED : 14
REMARK 210 CONFORMERS, SELECTION CRITERIA : LEAST RESTRAINT VIOLATION
REMARK 210
REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : 1
REMARK 210
REMARK 210 REMARK: THE STRUCTURE WAS DETERMINED USING MULTIDIMENSIONAL
REMARK 210 NMR SPECTROSCOPY ON 13C,15N LABELED ARA H 6
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 500
REMARK 500 GEOMETRY AND STEREOCHEMISTRY
REMARK 500 SUBTOPIC: CLOSE CONTACTS IN SAME ASYMMETRIC UNIT
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 GLU A 63 - H MET A 67 1.57
REMARK 500 O CYS A 86 - H LEU A 89 1.58
REMARK 500 O GLN A 93 - H GLN A 96 1.54
REMARK 500 O PHE A 98 - H LEU A 102 1.54
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 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 VAL A 23 -84.71 -53.09
REMARK 500 1 LEU A 25 65.63 -107.02
REMARK 500 1 GLU A 41 -163.58 -100.64
REMARK 500 1 CYS A 60 -81.06 -43.87
REMARK 500 1 MET A 67 -72.70 -81.18
REMARK 500 1 GLN A 85 48.99 -159.30
REMARK 500 1 GLN A 96 -85.41 -71.40
REMARK 500 1 ASN A 110 41.72 76.25
REMARK 500 1 ARG A 112 153.47 -42.80
REMARK 500 1 ALA A 113 -60.30 167.09
REMARK 500 2 SER A 15 33.28 179.42
REMARK 500 2 ASN A 24 76.48 38.74
REMARK 500 2 CYS A 60 -77.99 -44.57
REMARK 500 2 GLN A 85 52.76 -173.55
REMARK 500 2 MET A 94 -0.35 76.93
REMARK 500 2 VAL A 95 -91.63 -76.21
REMARK 500 2 CYS A 126 25.94 46.73
REMARK 500 3 VAL A 23 -81.16 -73.45
REMARK 500 3 ASN A 24 79.87 49.05
REMARK 500 3 GLN A 40 -76.30 62.26
REMARK 500 3 CYS A 60 -82.73 -43.84
REMARK 500 3 CYS A 73 52.00 -143.00
REMARK 500 3 GLN A 85 32.47 -156.43
REMARK 500 3 GLN A 90 96.15 60.82
REMARK 500 3 ASP A 91 94.48 -42.89
REMARK 500 3 ARG A 92 -139.57 -152.72
REMARK 500 3 GLN A 96 -75.53 -82.59
REMARK 500 4 SER A 13 150.06 -49.26
REMARK 500 4 VAL A 23 -90.42 -52.37
REMARK 500 4 LEU A 25 44.37 -100.24
REMARK 500 4 SER A 53 15.51 -149.09
REMARK 500 4 CYS A 60 -85.12 -40.83
REMARK 500 4 CYS A 73 29.48 -144.28
REMARK 500 4 GLN A 85 43.15 -162.20
REMARK 500 4 GLN A 96 -84.46 -77.14
REMARK 500 4 PHE A 111 -103.10 -79.51
REMARK 500 5 VAL A 23 -83.21 -43.40
REMARK 500 5 ASN A 24 75.39 52.88
REMARK 500 5 LEU A 25 68.52 -112.08
REMARK 500 5 ASP A 44 -45.08 174.23
REMARK 500 5 CYS A 60 -88.25 -45.84
REMARK 500 5 GLU A 66 -32.41 -143.77
REMARK 500 5 MET A 67 -76.09 -75.17
REMARK 500 5 ASN A 69 26.01 46.56
REMARK 500 5 THR A 70 159.10 -42.71
REMARK 500 5 GLN A 85 47.74 -170.50
REMARK 500 5 VAL A 95 -92.00 -40.30
REMARK 500 5 ARG A 112 154.23 -49.00
REMARK 500 6 VAL A 23 -87.38 -44.70
REMARK 500 6 ASN A 24 79.26 60.00
REMARK 500 6 ASP A 47 82.67 -69.78
REMARK 500 6 CYS A 60 -75.64 -51.93
REMARK 500 6 GLN A 85 54.36 -156.19
REMARK 500 6 GLN A 96 -77.10 -73.07
REMARK 500 6 ALA A 113 97.43 -38.17
REMARK 500 6 GLN A 115 -54.95 72.41
REMARK 500 6 ARG A 116 -35.59 -38.72
REMARK 500 7 LEU A 25 63.55 -107.94
REMARK 500 7 THR A 51 -76.18 -92.80
REMARK 500 7 GLU A 66 -31.86 -170.67
REMARK 500 7 GLN A 85 21.65 -140.59
REMARK 500 7 GLN A 96 -85.88 -79.08
REMARK 500 7 CYS A 126 79.54 -170.51
REMARK 500 8 VAL A 23 -80.01 -47.58
REMARK 500 8 LEU A 25 64.47 -102.80
REMARK 500 8 CYS A 60 -85.31 -43.85
REMARK 500 8 GLN A 85 40.34 -159.66
REMARK 500 8 GLN A 96 -81.77 -79.80
REMARK 500 9 VAL A 23 53.04 -94.63
REMARK 500 9 GLN A 85 46.85 -152.25
REMARK 500 9 ARG A 88 44.63 -102.50
REMARK 500 9 GLN A 90 101.75 69.92
REMARK 500 9 ARG A 92 179.33 -47.96
REMARK 500 9 GLN A 96 -70.67 -77.49
REMARK 500 9 GLN A 108 -29.99 -38.11
REMARK 500 9 CYS A 109 32.26 -148.01
REMARK 500 9 ALA A 113 -66.91 -156.28
REMARK 500 9 VAL A 121 69.15 -115.27
REMARK 500 10 VAL A 23 -76.08 -43.52
REMARK 500 10 ASN A 24 74.46 49.09
REMARK 500 10 LEU A 25 64.19 -102.27
REMARK 500 10 CYS A 60 -73.01 -44.30
REMARK 500 10 GLU A 66 -23.39 179.48
REMARK 500 10 ASN A 69 26.57 44.74
REMARK 500 10 GLN A 85 51.90 -172.01
REMARK 500 10 GLN A 96 -76.07 -77.66
REMARK 500 10 ALA A 113 176.28 50.73
REMARK 500 10 VAL A 121 25.50 46.13
REMARK 500 11 VAL A 23 -85.78 -45.78
REMARK 500 11 LEU A 25 52.15 -112.38
REMARK 500 11 CYS A 60 -86.49 -42.88
REMARK 500 11 MET A 67 -82.03 -80.65
REMARK 500 11 THR A 70 92.19 -62.73
REMARK 500 11 CYS A 73 -3.25 76.72
REMARK 500 11 GLN A 85 53.02 -164.40
REMARK 500 11 GLN A 90 86.10 46.14
REMARK 500 11 GLN A 93 -36.40 -158.60
REMARK 500 11 VAL A 95 -28.46 -39.93
REMARK 500 11 GLN A 96 -81.00 -69.69
REMARK 500 11 CYS A 109 -71.21 -143.10
REMARK 500 11 ASN A 110 30.54 162.20
REMARK 500 11 ALA A 113 164.97 56.27
REMARK 500 12 VAL A 23 -88.16 -54.94
REMARK 500 12 CYS A 60 -83.53 -44.78
REMARK 500 12 GLU A 66 -24.33 -179.74
REMARK 500 12 GLN A 85 41.63 -162.31
REMARK 500 12 ALA A 113 -61.15 -175.46
REMARK 500 13 LEU A 25 95.74 -165.73
REMARK 500 13 CYS A 60 -83.48 -43.00
REMARK 500 13 CYS A 86 97.64 176.59
REMARK 500 13 ARG A 88 63.32 -110.86
REMARK 500 13 GLN A 90 104.03 76.43
REMARK 500 13 ASP A 91 96.27 -40.70
REMARK 500 13 ARG A 92 -71.86 -133.33
REMARK 500 13 GLN A 93 -41.42 -159.67
REMARK 500 13 GLN A 96 -82.84 -74.04
REMARK 500 13 GLN A 108 -30.32 -36.03
REMARK 500 13 ALA A 113 -70.40 -42.89
REMARK 500 13 VAL A 121 101.67 171.97
REMARK 500 14 ASN A 24 94.99 49.09
REMARK 500 14 CYS A 60 -81.86 -41.65
REMARK 500 14 GLU A 66 -26.48 -177.94
REMARK 500 14 THR A 70 138.63 -39.87
REMARK 500 14 CYS A 73 33.14 -93.15
REMARK 500 14 CYS A 86 96.40 160.17
REMARK 500 14 GLN A 96 -78.06 -74.35
REMARK 500 14 ALA A 113 125.47 60.05
REMARK 500 14 CYS A 117 91.53 55.70
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 4 0.19 SIDE CHAIN
REMARK 500 1 ARG A 5 0.16 SIDE CHAIN
REMARK 500 1 ARG A 7 0.25 SIDE CHAIN
REMARK 500 1 ARG A 9 0.28 SIDE CHAIN
REMARK 500 1 ARG A 18 0.24 SIDE CHAIN
REMARK 500 1 ARG A 22 0.17 SIDE CHAIN
REMARK 500 1 ARG A 35 0.31 SIDE CHAIN
REMARK 500 1 ARG A 49 0.17 SIDE CHAIN
REMARK 500 1 ARG A 52 0.08 SIDE CHAIN
REMARK 500 1 ARG A 59 0.26 SIDE CHAIN
REMARK 500 1 ARG A 88 0.17 SIDE CHAIN
REMARK 500 1 ARG A 92 0.29 SIDE CHAIN
REMARK 500 1 ARG A 100 0.21 SIDE CHAIN
REMARK 500 1 ARG A 112 0.23 SIDE CHAIN
REMARK 500 1 ARG A 125 0.21 SIDE CHAIN
REMARK 500 2 ARG A 4 0.22 SIDE CHAIN
REMARK 500 2 ARG A 5 0.15 SIDE CHAIN
REMARK 500 2 ARG A 7 0.24 SIDE CHAIN
REMARK 500 2 ARG A 18 0.32 SIDE CHAIN
REMARK 500 2 ARG A 22 0.31 SIDE CHAIN
REMARK 500 2 ARG A 35 0.31 SIDE CHAIN
REMARK 500 2 ARG A 49 0.27 SIDE CHAIN
REMARK 500 2 ARG A 52 0.08 SIDE CHAIN
REMARK 500 2 ARG A 59 0.30 SIDE CHAIN
REMARK 500 2 ARG A 88 0.32 SIDE CHAIN
REMARK 500 2 ARG A 92 0.31 SIDE CHAIN
REMARK 500 2 ARG A 100 0.32 SIDE CHAIN
REMARK 500 2 ARG A 112 0.32 SIDE CHAIN
REMARK 500 2 ARG A 116 0.23 SIDE CHAIN
REMARK 500 2 ARG A 125 0.21 SIDE CHAIN
REMARK 500 3 ARG A 4 0.23 SIDE CHAIN
REMARK 500 3 ARG A 5 0.20 SIDE CHAIN
REMARK 500 3 ARG A 7 0.20 SIDE CHAIN
REMARK 500 3 ARG A 9 0.31 SIDE CHAIN
REMARK 500 3 ARG A 18 0.14 SIDE CHAIN
REMARK 500 3 ARG A 22 0.29 SIDE CHAIN
REMARK 500 3 ARG A 49 0.28 SIDE CHAIN
REMARK 500 3 ARG A 52 0.29 SIDE CHAIN
REMARK 500 3 ARG A 59 0.28 SIDE CHAIN
REMARK 500 3 ARG A 88 0.31 SIDE CHAIN
REMARK 500 3 ARG A 92 0.31 SIDE CHAIN
REMARK 500 3 ARG A 100 0.30 SIDE CHAIN
REMARK 500 3 ARG A 112 0.20 SIDE CHAIN
REMARK 500 3 ARG A 116 0.31 SIDE CHAIN
REMARK 500 3 ARG A 125 0.08 SIDE CHAIN
REMARK 500 4 ARG A 4 0.25 SIDE CHAIN
REMARK 500 4 ARG A 5 0.31 SIDE CHAIN
REMARK 500 4 ARG A 7 0.21 SIDE CHAIN
REMARK 500 4 ARG A 9 0.27 SIDE CHAIN
REMARK 500 4 ARG A 18 0.28 SIDE CHAIN
REMARK 500 4 ARG A 22 0.13 SIDE CHAIN
REMARK 500 4 ARG A 35 0.19 SIDE CHAIN
REMARK 500 4 ARG A 49 0.17 SIDE CHAIN
REMARK 500 4 ARG A 52 0.08 SIDE CHAIN
REMARK 500 4 ARG A 59 0.19 SIDE CHAIN
REMARK 500 4 ARG A 88 0.14 SIDE CHAIN
REMARK 500 4 ARG A 92 0.32 SIDE CHAIN
REMARK 500 4 ARG A 112 0.13 SIDE CHAIN
REMARK 500 4 ARG A 116 0.14 SIDE CHAIN
REMARK 500 4 ARG A 125 0.21 SIDE CHAIN
REMARK 500 5 ARG A 4 0.23 SIDE CHAIN
REMARK 500 5 ARG A 5 0.24 SIDE CHAIN
REMARK 500 5 ARG A 7 0.31 SIDE CHAIN
REMARK 500 5 ARG A 9 0.23 SIDE CHAIN
REMARK 500 5 ARG A 18 0.31 SIDE CHAIN
REMARK 500 5 ARG A 22 0.31 SIDE CHAIN
REMARK 500 5 ARG A 35 0.20 SIDE CHAIN
REMARK 500 5 ARG A 52 0.28 SIDE CHAIN
REMARK 500 5 ARG A 59 0.32 SIDE CHAIN
REMARK 500 5 ARG A 88 0.31 SIDE CHAIN
REMARK 500 5 ARG A 92 0.20 SIDE CHAIN
REMARK 500 5 ARG A 100 0.29 SIDE CHAIN
REMARK 500 5 ARG A 112 0.32 SIDE CHAIN
REMARK 500 5 ARG A 125 0.22 SIDE CHAIN
REMARK 500 6 ARG A 4 0.31 SIDE CHAIN
REMARK 500 6 ARG A 5 0.11 SIDE CHAIN
REMARK 500 6 ARG A 7 0.16 SIDE CHAIN
REMARK 500 6 ARG A 9 0.27 SIDE CHAIN
REMARK 500 6 ARG A 18 0.19 SIDE CHAIN
REMARK 500 6 ARG A 22 0.11 SIDE CHAIN
REMARK 500 6 ARG A 35 0.21 SIDE CHAIN
REMARK 500 6 ARG A 49 0.31 SIDE CHAIN
REMARK 500 6 ARG A 52 0.28 SIDE CHAIN
REMARK 500 6 ARG A 59 0.27 SIDE CHAIN
REMARK 500 6 ARG A 88 0.30 SIDE CHAIN
REMARK 500 6 ARG A 92 0.21 SIDE CHAIN
REMARK 500 6 ARG A 100 0.21 SIDE CHAIN
REMARK 500 6 ARG A 112 0.32 SIDE CHAIN
REMARK 500 6 ARG A 116 0.32 SIDE CHAIN
REMARK 500 6 ARG A 125 0.09 SIDE CHAIN
REMARK 500 7 ARG A 4 0.11 SIDE CHAIN
REMARK 500 7 ARG A 5 0.29 SIDE CHAIN
REMARK 500 7 ARG A 7 0.31 SIDE CHAIN
REMARK 500 7 ARG A 9 0.22 SIDE CHAIN
REMARK 500 7 ARG A 18 0.32 SIDE CHAIN
REMARK 500 7 ARG A 22 0.32 SIDE CHAIN
REMARK 500 7 ARG A 35 0.27 SIDE CHAIN
REMARK 500 7 ARG A 49 0.21 SIDE CHAIN
REMARK 500 7 ARG A 52 0.31 SIDE CHAIN
REMARK 500 7 ARG A 59 0.19 SIDE CHAIN
REMARK 500 7 ARG A 88 0.24 SIDE CHAIN
REMARK 500 7 ARG A 92 0.26 SIDE CHAIN
REMARK 500 7 ARG A 100 0.30 SIDE CHAIN
REMARK 500 7 ARG A 112 0.30 SIDE CHAIN
REMARK 500 7 ARG A 116 0.10 SIDE CHAIN
REMARK 500 7 ARG A 125 0.27 SIDE CHAIN
REMARK 500 8 ARG A 4 0.30 SIDE CHAIN
REMARK 500 8 ARG A 5 0.23 SIDE CHAIN
REMARK 500 8 ARG A 7 0.27 SIDE CHAIN
REMARK 500 8 ARG A 9 0.15 SIDE CHAIN
REMARK 500 8 ARG A 18 0.25 SIDE CHAIN
REMARK 500 8 ARG A 22 0.32 SIDE CHAIN
REMARK 500 8 ARG A 35 0.32 SIDE CHAIN
REMARK 500 8 ARG A 49 0.25 SIDE CHAIN
REMARK 500 8 ARG A 52 0.32 SIDE CHAIN
REMARK 500 8 ARG A 59 0.24 SIDE CHAIN
REMARK 500 8 ARG A 88 0.31 SIDE CHAIN
REMARK 500 8 ARG A 92 0.31 SIDE CHAIN
REMARK 500 8 ARG A 100 0.13 SIDE CHAIN
REMARK 500 8 ARG A 112 0.28 SIDE CHAIN
REMARK 500 8 ARG A 116 0.31 SIDE CHAIN
REMARK 500 8 ARG A 125 0.29 SIDE CHAIN
REMARK 500 9 ARG A 4 0.31 SIDE CHAIN
REMARK 500 9 ARG A 5 0.19 SIDE CHAIN
REMARK 500 9 ARG A 7 0.28 SIDE CHAIN
REMARK 500 9 ARG A 9 0.27 SIDE CHAIN
REMARK 500 9 ARG A 18 0.23 SIDE CHAIN
REMARK 500 9 ARG A 22 0.21 SIDE CHAIN
REMARK 500 9 ARG A 35 0.27 SIDE CHAIN
REMARK 500 9 ARG A 49 0.18 SIDE CHAIN
REMARK 500 9 ARG A 52 0.23 SIDE CHAIN
REMARK 500 9 ARG A 59 0.32 SIDE CHAIN
REMARK 500 9 ARG A 88 0.17 SIDE CHAIN
REMARK 500 9 ARG A 92 0.23 SIDE CHAIN
REMARK 500 9 ARG A 100 0.22 SIDE CHAIN
REMARK 500 9 ARG A 112 0.08 SIDE CHAIN
REMARK 500 9 ARG A 116 0.25 SIDE CHAIN
REMARK 500 9 ARG A 125 0.31 SIDE CHAIN
REMARK 500 10 ARG A 4 0.31 SIDE CHAIN
REMARK 500 10 ARG A 5 0.23 SIDE CHAIN
REMARK 500 10 ARG A 7 0.24 SIDE CHAIN
REMARK 500 10 ARG A 9 0.25 SIDE CHAIN
REMARK 500 10 ARG A 18 0.23 SIDE CHAIN
REMARK 500 10 ARG A 22 0.25 SIDE CHAIN
REMARK 500 10 ARG A 35 0.27 SIDE CHAIN
REMARK 500 10 ARG A 49 0.32 SIDE CHAIN
REMARK 500 10 ARG A 52 0.30 SIDE CHAIN
REMARK 500 10 ARG A 59 0.10 SIDE CHAIN
REMARK 500 10 ARG A 88 0.25 SIDE CHAIN
REMARK 500 10 ARG A 92 0.17 SIDE CHAIN
REMARK 500 10 ARG A 100 0.22 SIDE CHAIN
REMARK 500 10 ARG A 112 0.25 SIDE CHAIN
REMARK 500 10 ARG A 116 0.27 SIDE CHAIN
REMARK 500 10 ARG A 125 0.32 SIDE CHAIN
REMARK 500 11 ARG A 4 0.31 SIDE CHAIN
REMARK 500 11 ARG A 5 0.28 SIDE CHAIN
REMARK 500 11 ARG A 7 0.21 SIDE CHAIN
REMARK 500 11 ARG A 9 0.12 SIDE CHAIN
REMARK 500 11 ARG A 18 0.17 SIDE CHAIN
REMARK 500 11 ARG A 22 0.13 SIDE CHAIN
REMARK 500 11 ARG A 49 0.23 SIDE CHAIN
REMARK 500 11 ARG A 52 0.32 SIDE CHAIN
REMARK 500 11 ARG A 59 0.20 SIDE CHAIN
REMARK 500 11 ARG A 88 0.32 SIDE CHAIN
REMARK 500 11 ARG A 92 0.31 SIDE CHAIN
REMARK 500 11 ARG A 100 0.24 SIDE CHAIN
REMARK 500 11 ARG A 112 0.27 SIDE CHAIN
REMARK 500 11 ARG A 116 0.21 SIDE CHAIN
REMARK 500 11 ARG A 125 0.29 SIDE CHAIN
REMARK 500 12 ARG A 4 0.30 SIDE CHAIN
REMARK 500 12 ARG A 5 0.26 SIDE CHAIN
REMARK 500 12 ARG A 7 0.30 SIDE CHAIN
REMARK 500 12 ARG A 35 0.28 SIDE CHAIN
REMARK 500 12 ARG A 49 0.30 SIDE CHAIN
REMARK 500 12 ARG A 52 0.28 SIDE CHAIN
REMARK 500 12 ARG A 59 0.30 SIDE CHAIN
REMARK 500 12 ARG A 88 0.32 SIDE CHAIN
REMARK 500 12 ARG A 92 0.25 SIDE CHAIN
REMARK 500 12 ARG A 100 0.29 SIDE CHAIN
REMARK 500 12 ARG A 112 0.31 SIDE CHAIN
REMARK 500 12 ARG A 116 0.27 SIDE CHAIN
REMARK 500 12 ARG A 125 0.23 SIDE CHAIN
REMARK 500 13 ARG A 4 0.32 SIDE CHAIN
REMARK 500 13 ARG A 5 0.28 SIDE CHAIN
REMARK 500 13 ARG A 7 0.27 SIDE CHAIN
REMARK 500 13 ARG A 9 0.28 SIDE CHAIN
REMARK 500 13 ARG A 18 0.27 SIDE CHAIN
REMARK 500 13 ARG A 22 0.31 SIDE CHAIN
REMARK 500 13 ARG A 35 0.30 SIDE CHAIN
REMARK 500 13 ARG A 49 0.08 SIDE CHAIN
REMARK 500 13 ARG A 52 0.29 SIDE CHAIN
REMARK 500 13 ARG A 59 0.16 SIDE CHAIN
REMARK 500 13 ARG A 92 0.29 SIDE CHAIN
REMARK 500 13 ARG A 100 0.22 SIDE CHAIN
REMARK 500 13 ARG A 112 0.31 SIDE CHAIN
REMARK 500 13 ARG A 116 0.20 SIDE CHAIN
REMARK 500 13 ARG A 125 0.31 SIDE CHAIN
REMARK 500 14 ARG A 4 0.32 SIDE CHAIN
REMARK 500 14 ARG A 5 0.20 SIDE CHAIN
REMARK 500 14 ARG A 7 0.19 SIDE CHAIN
REMARK 500 14 ARG A 9 0.24 SIDE CHAIN
REMARK 500 14 ARG A 18 0.31 SIDE CHAIN
REMARK 500 14 ARG A 22 0.20 SIDE CHAIN
REMARK 500 14 ARG A 35 0.29 SIDE CHAIN
REMARK 500 14 ARG A 49 0.20 SIDE CHAIN
REMARK 500 14 ARG A 52 0.25 SIDE CHAIN
REMARK 500 14 ARG A 59 0.25 SIDE CHAIN
REMARK 500 14 ARG A 88 0.32 SIDE CHAIN
REMARK 500 14 ARG A 92 0.29 SIDE CHAIN
REMARK 500 14 ARG A 100 0.31 SIDE CHAIN
REMARK 500 14 ARG A 112 0.16 SIDE CHAIN
REMARK 500 14 ARG A 116 0.20 SIDE CHAIN
REMARK 500 14 ARG A 125 0.20 SIDE CHAIN
REMARK 500
REMARK 500 REMARK: NULL
DBREF 1W2Q A 1 2 PDB 1W2Q 1W2Q 1 2
DBREF 1W2Q A 3 126 UNP Q8W251 Q8W251 21 144
DBREF 1W2Q A 127 127 PDB 1W2Q 1W2Q 127 127
SEQADV 1W2Q ASN A 65 UNP Q8W251 ASP 83 CONFLICT
SEQADV 1W2Q GLU A 66 UNP Q8W251 GLN 84 CONFLICT
SEQADV 1W2Q GLN A 71 UNP Q8W251 GLU 89 CONFLICT
SEQADV 1W2Q GLY A 72 UNP Q8W251 ARG 90 CONFLICT
SEQRES 1 A 127 GLY PRO MET ARG ARG GLU ARG GLY ARG GLN GLY ASP SER
SEQRES 2 A 127 SER SER CYS GLU ARG GLN VAL ASP ARG VAL ASN LEU LYS
SEQRES 3 A 127 PRO CYS GLU GLN HIS ILE MET GLN ARG ILE MET GLY GLU
SEQRES 4 A 127 GLN GLU GLN TYR ASP SER TYR ASP ILE ARG SER THR ARG
SEQRES 5 A 127 SER SER ASP GLN GLN GLN ARG CYS CYS ASP GLU LEU ASN
SEQRES 6 A 127 GLU MET GLU ASN THR GLN GLY CYS MET CYS GLU ALA LEU
SEQRES 7 A 127 GLN GLN ILE MET GLU ASN GLN CYS ASP ARG LEU GLN ASP
SEQRES 8 A 127 ARG GLN MET VAL GLN GLN PHE LYS ARG GLU LEU MET SER
SEQRES 9 A 127 LEU PRO GLN GLN CYS ASN PHE ARG ALA PRO GLN ARG CYS
SEQRES 10 A 127 ASP LEU ASP VAL SER GLY GLY ARG CYS SER
HELIX 1 1 SER A 15 ASP A 21 1 7
HELIX 2 2 LEU A 25 GLN A 34 1 10
HELIX 3 3 ARG A 35 GLY A 38 5 4
HELIX 4 4 ARG A 52 MET A 67 1 16
HELIX 5 5 CYS A 73 GLN A 85 1 13
HELIX 6 6 MET A 94 ASN A 110 1 17
SSBOND 1 CYS A 16 CYS A 73 1555 1555 2.02
SSBOND 2 CYS A 28 CYS A 60 1555 1555 2.02
SSBOND 3 CYS A 61 CYS A 109 1555 1555 2.02
SSBOND 4 CYS A 75 CYS A 117 1555 1555 2.02
SSBOND 5 CYS A 86 CYS A 126 1555 1555 2.02
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 - r 25 2 Bytes