Header list of 1dzd.pdb file
Complete list - r 25 2 Bytes
HEADER GROWTH FACTOR 24-FEB-00 1DZD
TITLE HIGH RESOLUTION STRUCTURE OF ACIDIC FIBROBLAST GROWTH
TITLE 2 FACTOR (27-154), 24 NMR STRUCTURES
COMPND MOL_ID: 1;
COMPND 2 MOLECULE: ACIDIC FIBROBLAST GROWTH FACTOR;
COMPND 3 CHAIN: A;
COMPND 4 FRAGMENT: RESIDUES 27-154;
COMPND 5 ENGINEERED: YES
SOURCE MOL_ID: 1;
SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS;
SOURCE 3 ORGANISM_COMMON: HUMAN;
SOURCE 4 ORGANISM_TAXID: 9606;
SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI;
SOURCE 6 EXPRESSION_SYSTEM_TAXID: 562;
SOURCE 7 EXPRESSION_SYSTEM_PLASMID: PMG62
KEYWDS GROWTH FACTOR, FIBROBLAST GROWTH FACTOR, ANTITUMORAL
EXPDTA SOLUTION NMR
NUMMDL 24
AUTHOR R.M.LOZANO,A.PINEDA-LUCENA,C.GONZALEZ,M.A.JIMENEZ,P.CUEVAS,
AUTHOR 2 M.REDONDO-HORCAJO,J.M.SANZ,M.RICO,G.GIMENEZ-GALLEGO
REVDAT 3 24-FEB-09 1DZD 1 VERSN
REVDAT 2 09-JUN-00 1DZD 1 JRNL
REVDAT 1 16-MAR-00 1DZD 0
JRNL AUTH R.M.LOZANO,A.PINEDA-LUCENA,C.GONZALEZ,M.A.JIMENEZ,
JRNL AUTH 2 P.CUEVAS,M.REDONDE-HORCAJO,J.M.SANZ,M.RICO,
JRNL AUTH 3 G.GIMENEZ-GALLEGO
JRNL TITL 1H-NMR STRUCTURAL CHARACTERIZATION OF A NON
JRNL TITL 2 MITOGENIC, VASODILATORY, ISCHEMIA-PROTECTOR AND
JRNL TITL 3 NEUROMODULATORY ACIDIC FIBROBLAST GROWTH FACTOR
JRNL REF BIOCHEMISTRY V. 39 4982 2000
JRNL REFN ISSN 0006-2960
JRNL PMID 10819962
JRNL DOI 10.1021/BI992544N
REMARK 2
REMARK 2 RESOLUTION. NOT APPLICABLE.
REMARK 3
REMARK 3 REFINEMENT.
REMARK 3 PROGRAM : GROMOS
REMARK 3 AUTHORS : VAN GUNSTEREN,BERENDSEN
REMARK 3
REMARK 3 OTHER REFINEMENT REMARKS: REFINEMENT DETAILS CAN BE FOUND IN
REMARK 3 THE JRNL CITATION ABOVE
REMARK 4
REMARK 4 1DZD COMPLIES WITH FORMAT V. 3.15, 01-DEC-08
REMARK 100
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBE ON 27-FEB-00.
REMARK 100 THE PDBE ID CODE IS EBI-4623.
REMARK 210
REMARK 210 EXPERIMENTAL DETAILS
REMARK 210 EXPERIMENT TYPE : NMR
REMARK 210 TEMPERATURE (KELVIN) : 298
REMARK 210 PH : 6.0
REMARK 210 IONIC STRENGTH : NULL
REMARK 210 PRESSURE : 1 ATM
REMARK 210 SAMPLE CONTENTS : WATER
REMARK 210
REMARK 210 NMR EXPERIMENTS CONDUCTED : NOESY, TOCSY, COSY
REMARK 210 SPECTROMETER FIELD STRENGTH : 600
REMARK 210 SPECTROMETER MODEL : AMX600
REMARK 210 SPECTROMETER MANUFACTURER : BRUKER
REMARK 210
REMARK 210 STRUCTURE DETERMINATION.
REMARK 210 SOFTWARE USED : GROMOS
REMARK 210 METHOD USED : RESTRAINED MOLECULAR
REMARK 210 DYNAMICS
REMARK 210
REMARK 210 CONFORMERS, NUMBER CALCULATED : 24
REMARK 210 CONFORMERS, NUMBER SUBMITTED : 24
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 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 38 CD - NE - CZ ANGL. DEV. = 9.2 DEGREES
REMARK 500 1 ARG A 38 NE - CZ - NH1 ANGL. DEV. = 3.4 DEGREES
REMARK 500 1 VAL A 68 CA - CB - CG1 ANGL. DEV. = 10.9 DEGREES
REMARK 500 1 ARG A 102 NE - CZ - NH1 ANGL. DEV. = 3.4 DEGREES
REMARK 500 1 TYR A 111 CB - CG - CD2 ANGL. DEV. = -3.7 DEGREES
REMARK 500 1 ARG A 133 NE - CZ - NH1 ANGL. DEV. = 3.8 DEGREES
REMARK 500 1 ARG A 136 NE - CZ - NH1 ANGL. DEV. = 3.2 DEGREES
REMARK 500 2 TYR A 29 CB - CG - CD2 ANGL. DEV. = -4.8 DEGREES
REMARK 500 2 ARG A 38 CD - NE - CZ ANGL. DEV. = 10.1 DEGREES
REMARK 500 2 ARG A 38 NE - CZ - NH1 ANGL. DEV. = 3.2 DEGREES
REMARK 500 2 ARG A 51 NE - CZ - NH1 ANGL. DEV. = 3.5 DEGREES
REMARK 500 2 VAL A 68 CG1 - CB - CG2 ANGL. DEV. = -16.8 DEGREES
REMARK 500 2 TYR A 88 CB - CG - CD2 ANGL. DEV. = -5.1 DEGREES
REMARK 500 2 TYR A 108 CB - CG - CD2 ANGL. DEV. = -4.7 DEGREES
REMARK 500 2 ARG A 136 NE - CZ - NH1 ANGL. DEV. = 3.6 DEGREES
REMARK 500 2 TYR A 139 CB - CG - CD2 ANGL. DEV. = -3.9 DEGREES
REMARK 500 3 TYR A 88 CB - CG - CD2 ANGL. DEV. = -5.9 DEGREES
REMARK 500 3 TYR A 139 CB - CG - CD2 ANGL. DEV. = -4.4 DEGREES
REMARK 500 4 ARG A 38 NE - CZ - NH2 ANGL. DEV. = -4.0 DEGREES
REMARK 500 4 VAL A 68 CA - CB - CG1 ANGL. DEV. = 12.9 DEGREES
REMARK 500 4 VAL A 68 CA - CB - CG2 ANGL. DEV. = 9.4 DEGREES
REMARK 500 4 TYR A 69 CB - CG - CD2 ANGL. DEV. = -5.0 DEGREES
REMARK 500 4 TYR A 108 CB - CG - CD2 ANGL. DEV. = -3.7 DEGREES
REMARK 500 4 TYR A 111 CB - CG - CD2 ANGL. DEV. = -3.6 DEGREES
REMARK 500 5 TYR A 88 CB - CG - CD2 ANGL. DEV. = -4.9 DEGREES
REMARK 500 5 TYR A 108 CB - CG - CD2 ANGL. DEV. = -3.9 DEGREES
REMARK 500 5 TYR A 111 CB - CG - CD1 ANGL. DEV. = -4.4 DEGREES
REMARK 500 5 ARG A 133 NE - CZ - NH1 ANGL. DEV. = 3.2 DEGREES
REMARK 500 6 TYR A 69 CB - CG - CD2 ANGL. DEV. = -3.6 DEGREES
REMARK 500 6 GLU A 74 CA - CB - CG ANGL. DEV. = -14.8 DEGREES
REMARK 500 6 TYR A 88 CB - CG - CD2 ANGL. DEV. = -4.6 DEGREES
REMARK 500 6 TYR A 111 CB - CG - CD2 ANGL. DEV. = -4.1 DEGREES
REMARK 500 7 VAL A 68 CA - CB - CG1 ANGL. DEV. = 12.9 DEGREES
REMARK 500 7 VAL A 68 CA - CB - CG2 ANGL. DEV. = 10.8 DEGREES
REMARK 500 7 TYR A 69 CB - CG - CD2 ANGL. DEV. = -4.0 DEGREES
REMARK 500 7 TYR A 88 CB - CG - CD2 ANGL. DEV. = -4.3 DEGREES
REMARK 500 7 TYR A 108 CB - CG - CD2 ANGL. DEV. = -3.7 DEGREES
REMARK 500 7 ARG A 133 NE - CZ - NH1 ANGL. DEV. = 4.1 DEGREES
REMARK 500 7 ARG A 136 NE - CZ - NH1 ANGL. DEV. = 4.6 DEGREES
REMARK 500 7 ARG A 136 NE - CZ - NH2 ANGL. DEV. = -4.0 DEGREES
REMARK 500 7 TYR A 139 CB - CG - CD2 ANGL. DEV. = -5.4 DEGREES
REMARK 500 7 PHE A 146 CB - CG - CD2 ANGL. DEV. = -4.8 DEGREES
REMARK 500 8 ARG A 38 NE - CZ - NH1 ANGL. DEV. = 3.6 DEGREES
REMARK 500 8 TYR A 69 CB - CG - CD2 ANGL. DEV. = -3.6 DEGREES
REMARK 500 8 ARG A 102 NE - CZ - NH1 ANGL. DEV. = 3.5 DEGREES
REMARK 500 8 TYR A 111 CB - CG - CD2 ANGL. DEV. = -4.0 DEGREES
REMARK 500 9 ARG A 49 NE - CZ - NH1 ANGL. DEV. = 3.3 DEGREES
REMARK 500 9 VAL A 68 CG1 - CB - CG2 ANGL. DEV. = -12.5 DEGREES
REMARK 500 9 TYR A 78 CB - CG - CD2 ANGL. DEV. = -4.3 DEGREES
REMARK 500 9 ARG A 102 NE - CZ - NH1 ANGL. DEV. = 3.0 DEGREES
REMARK 500
REMARK 500 THIS ENTRY HAS 111 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 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 SER A 31 26.56 -74.44
REMARK 500 1 LEU A 37 46.62 -83.51
REMARK 500 1 ARG A 51 100.94 -54.26
REMARK 500 1 SER A 52 -1.67 -59.47
REMARK 500 1 ASP A 53 -26.56 68.77
REMARK 500 1 HIS A 55 0.90 -67.77
REMARK 500 1 ILE A 56 72.44 -62.89
REMARK 500 1 LEU A 58 90.29 179.79
REMARK 500 1 GLN A 59 114.47 -163.15
REMARK 500 1 LEU A 86 144.77 -171.75
REMARK 500 1 LEU A 103 -38.06 69.50
REMARK 500 1 GLU A 105 -49.60 72.04
REMARK 500 1 ASN A 106 39.72 -81.20
REMARK 500 1 TYR A 108 69.45 -101.21
REMARK 500 1 ASN A 109 95.18 -62.19
REMARK 500 1 LYS A 127 8.10 -47.14
REMARK 500 1 CYS A 131 -32.27 -134.47
REMARK 500 1 LYS A 132 85.50 -58.80
REMARK 500 1 PRO A 148 43.58 -105.80
REMARK 500 1 PRO A 150 93.72 -58.78
REMARK 500 2 LEU A 37 42.13 -78.84
REMARK 500 2 ARG A 38 107.37 -58.21
REMARK 500 2 THR A 48 117.77 -168.05
REMARK 500 2 ASP A 53 -45.19 61.05
REMARK 500 2 GLN A 54 -62.40 -131.09
REMARK 500 2 ILE A 56 89.33 -54.26
REMARK 500 2 LEU A 58 99.54 -179.10
REMARK 500 2 SER A 64 -148.27 -161.06
REMARK 500 2 GLN A 77 106.27 -20.24
REMARK 500 2 LEU A 103 131.51 21.47
REMARK 500 2 GLU A 105 -52.77 60.03
REMARK 500 2 ASN A 106 46.31 -72.62
REMARK 500 2 HIS A 107 -34.02 74.03
REMARK 500 2 HIS A 116 35.07 -83.98
REMARK 500 2 LYS A 127 24.93 -64.16
REMARK 500 2 CYS A 131 -70.01 -120.82
REMARK 500 2 LYS A 132 94.72 -11.94
REMARK 500 2 PRO A 148 32.19 -72.33
REMARK 500 3 HIS A 35 -163.87 -127.01
REMARK 500 3 LEU A 37 104.39 -44.78
REMARK 500 3 ASP A 53 71.28 -53.57
REMARK 500 3 GLN A 54 -61.86 179.25
REMARK 500 3 LEU A 58 77.08 92.83
REMARK 500 3 GLU A 67 107.06 -44.35
REMARK 500 3 GLN A 77 122.83 -11.22
REMARK 500 3 GLU A 101 98.09 -68.65
REMARK 500 3 GLU A 105 -47.35 59.51
REMARK 500 3 HIS A 107 -30.10 72.11
REMARK 500 3 LYS A 127 -9.65 -57.53
REMARK 500 3 CYS A 131 -60.83 -129.53
REMARK 500 3 LYS A 132 88.56 -20.24
REMARK 500 3 THR A 137 77.15 -101.56
REMARK 500 4 HIS A 35 -165.69 -122.23
REMARK 500 4 LEU A 37 109.92 -56.34
REMARK 500 4 ASP A 50 108.90 -171.06
REMARK 500 4 ASP A 53 -62.75 11.29
REMARK 500 4 LEU A 58 98.25 -46.84
REMARK 500 4 GLU A 74 -48.99 -141.56
REMARK 500 4 GLN A 77 128.61 -32.21
REMARK 500 4 LEU A 103 124.90 40.31
REMARK 500 4 GLU A 105 -45.46 -13.98
REMARK 500 4 ASN A 106 36.30 -63.36
REMARK 500 4 LYS A 127 25.92 -61.31
REMARK 500 4 LYS A 132 82.78 -8.15
REMARK 500 4 ALA A 143 -34.70 -143.31
REMARK 500 4 PRO A 148 80.27 -66.64
REMARK 500 4 VAL A 151 143.53 53.53
REMARK 500 5 SER A 31 49.66 -83.31
REMARK 500 5 LEU A 37 106.36 -36.08
REMARK 500 5 THR A 48 118.45 -177.31
REMARK 500 5 GLN A 54 14.61 -17.30
REMARK 500 5 SER A 64 -158.46 -173.05
REMARK 500 5 GLN A 77 111.28 -39.37
REMARK 500 5 GLU A 101 92.55 -62.04
REMARK 500 5 LEU A 103 139.44 52.41
REMARK 500 5 GLU A 105 -54.14 56.43
REMARK 500 5 HIS A 107 -28.14 72.61
REMARK 500 5 ARG A 136 -36.61 -176.13
REMARK 500 6 THR A 48 143.00 179.96
REMARK 500 6 ARG A 51 99.92 -68.70
REMARK 500 6 GLN A 54 67.19 -40.29
REMARK 500 6 GLN A 57 -72.13 -75.40
REMARK 500 6 LEU A 58 97.92 -47.90
REMARK 500 6 SER A 64 -167.66 -161.81
REMARK 500 6 GLN A 77 124.42 -23.96
REMARK 500 6 GLU A 105 -44.27 63.69
REMARK 500 6 HIS A 107 -29.21 70.16
REMARK 500 6 LYS A 127 15.81 -61.91
REMARK 500 6 ARG A 136 -46.18 -176.29
REMARK 500 6 PRO A 150 43.68 -76.30
REMARK 500 7 ASP A 53 79.45 -60.85
REMARK 500 7 GLN A 54 -72.82 -171.04
REMARK 500 7 SER A 64 -150.23 -157.94
REMARK 500 7 THR A 73 0.39 -60.27
REMARK 500 7 GLN A 77 148.63 -39.91
REMARK 500 7 GLU A 101 91.29 -68.61
REMARK 500 7 GLU A 105 -45.00 63.41
REMARK 500 7 ASN A 106 42.07 -74.69
REMARK 500 7 HIS A 107 -22.95 69.22
REMARK 500 7 LYS A 127 -14.40 -1.97
REMARK 500 7 CYS A 131 -67.95 -109.59
REMARK 500 7 LYS A 132 84.61 -6.81
REMARK 500 7 THR A 137 -56.80 -127.89
REMARK 500 7 HIS A 138 104.21 -3.67
REMARK 500 7 PRO A 148 -156.67 -94.53
REMARK 500 7 PRO A 150 47.10 -88.65
REMARK 500 8 HIS A 35 -165.70 -121.77
REMARK 500 8 LEU A 37 96.12 -43.90
REMARK 500 8 THR A 48 72.86 -101.36
REMARK 500 8 ASP A 50 79.35 59.75
REMARK 500 8 ARG A 51 103.47 -41.41
REMARK 500 8 ASP A 53 67.18 -57.18
REMARK 500 8 GLN A 54 -63.95 -162.22
REMARK 500 8 ILE A 56 109.41 -46.10
REMARK 500 8 LEU A 58 96.62 -174.19
REMARK 500 8 GLU A 63 68.42 -100.41
REMARK 500 8 SER A 64 -127.50 79.08
REMARK 500 8 GLU A 67 109.96 -53.86
REMARK 500 8 THR A 73 27.75 -73.25
REMARK 500 8 GLU A 74 -55.82 -136.11
REMARK 500 8 LEU A 86 144.09 -172.80
REMARK 500 8 GLU A 101 83.16 -68.30
REMARK 500 8 GLU A 105 -48.76 55.37
REMARK 500 8 LYS A 127 15.61 -64.88
REMARK 500 8 SER A 130 -155.53 -90.38
REMARK 500 8 ARG A 136 -42.50 -171.19
REMARK 500 8 PRO A 148 101.08 -52.30
REMARK 500 9 TYR A 29 117.92 49.66
REMARK 500 9 SER A 31 25.97 -72.24
REMARK 500 9 HIS A 35 -161.87 -107.39
REMARK 500 9 ARG A 38 -74.98 -63.16
REMARK 500 9 ILE A 39 89.07 61.28
REMARK 500 9 ASP A 53 -20.99 78.47
REMARK 500 9 SER A 64 -130.56 70.24
REMARK 500 9 LYS A 71 76.54 -106.14
REMARK 500 9 SER A 72 98.60 -57.50
REMARK 500 9 GLN A 77 122.84 -39.49
REMARK 500 9 LEU A 79 107.47 -52.11
REMARK 500 9 LEU A 103 -44.08 70.42
REMARK 500 9 GLU A 105 -59.44 65.23
REMARK 500 9 ASN A 106 24.46 -77.41
REMARK 500 9 ASN A 109 97.32 -53.89
REMARK 500 9 LYS A 127 -28.13 -18.59
REMARK 500 9 CYS A 131 42.83 -81.97
REMARK 500 9 ARG A 136 -45.57 -173.23
REMARK 500 9 LEU A 145 77.32 -100.58
REMARK 500 10 SER A 31 38.30 -86.03
REMARK 500 10 LEU A 37 81.68 -66.69
REMARK 500 10 ILE A 39 78.75 35.05
REMARK 500 10 THR A 48 121.31 -173.43
REMARK 500 10 ASP A 53 -14.73 60.34
REMARK 500 10 GLN A 54 -80.69 -94.40
REMARK 500 10 SER A 61 76.75 -106.20
REMARK 500 10 GLU A 63 64.75 -101.55
REMARK 500 10 SER A 64 -95.33 65.51
REMARK 500 10 SER A 72 90.88 -61.08
REMARK 500 10 GLN A 77 136.31 -35.66
REMARK 500 10 LEU A 103 127.83 33.24
REMARK 500 10 GLU A 105 -58.87 59.24
REMARK 500 10 ASN A 106 44.29 -73.28
REMARK 500 10 HIS A 107 -13.82 71.34
REMARK 500 10 TYR A 108 94.40 -68.87
REMARK 500 10 LYS A 127 77.54 -66.47
REMARK 500 10 CYS A 131 -78.72 -120.37
REMARK 500 10 LYS A 132 73.90 -16.20
REMARK 500 10 PRO A 150 85.71 -67.10
REMARK 500 10 SER A 152 -59.57 64.14
REMARK 500 11 ARG A 38 -45.03 63.27
REMARK 500 11 ILE A 39 80.73 47.82
REMARK 500 11 ASP A 53 70.59 -57.82
REMARK 500 11 GLN A 54 -87.36 -157.89
REMARK 500 11 GLU A 63 70.09 -100.76
REMARK 500 11 SER A 64 -153.83 74.39
REMARK 500 11 GLU A 74 -56.41 -164.00
REMARK 500 11 GLN A 77 132.57 -37.53
REMARK 500 11 GLU A 105 -58.78 56.69
REMARK 500 11 HIS A 107 -24.49 67.33
REMARK 500 11 LYS A 114 -73.02 0.92
REMARK 500 11 LYS A 127 46.93 -64.24
REMARK 500 11 CYS A 131 -142.18 -116.90
REMARK 500 11 LYS A 132 104.03 71.44
REMARK 500 11 ARG A 136 -50.07 -177.20
REMARK 500 11 PRO A 150 45.71 -78.64
REMARK 500 11 VAL A 151 -84.98 42.44
REMARK 500 11 SER A 152 -113.88 18.37
REMARK 500 11 SER A 153 61.43 -116.15
REMARK 500 12 TYR A 29 44.22 -89.73
REMARK 500 12 HIS A 35 -134.39 -101.37
REMARK 500 12 ARG A 38 -56.92 62.36
REMARK 500 12 ILE A 39 65.28 38.50
REMARK 500 12 THR A 48 118.93 -164.23
REMARK 500 12 ARG A 51 79.15 -67.85
REMARK 500 12 ASP A 53 37.07 -54.50
REMARK 500 12 GLN A 54 -74.59 -131.11
REMARK 500 12 GLU A 63 68.71 -119.56
REMARK 500 12 SER A 64 -128.46 87.06
REMARK 500 12 LEU A 79 100.30 -56.81
REMARK 500 12 GLU A 101 89.43 -65.16
REMARK 500 12 GLU A 105 -46.99 59.62
REMARK 500 12 HIS A 116 34.56 -92.10
REMARK 500 12 CYS A 131 -63.29 -103.13
REMARK 500 12 LYS A 132 108.86 -43.05
REMARK 500 12 ALA A 143 -38.51 -141.40
REMARK 500 12 VAL A 151 -95.41 50.66
REMARK 500 13 SER A 31 41.85 -78.06
REMARK 500 13 HIS A 35 -161.40 -119.00
REMARK 500 13 ARG A 38 -61.37 62.47
REMARK 500 13 ASP A 53 -1.27 69.89
REMARK 500 13 GLN A 54 -75.62 -120.84
REMARK 500 13 GLU A 63 75.40 -118.66
REMARK 500 13 SER A 64 -141.70 89.44
REMARK 500 13 GLN A 77 138.39 -26.96
REMARK 500 13 GLU A 105 -54.68 59.57
REMARK 500 13 HIS A 107 33.13 -79.35
REMARK 500 13 LYS A 126 104.80 -36.50
REMARK 500 13 LYS A 127 -22.16 3.12
REMARK 500 13 LYS A 132 109.10 -53.77
REMARK 500 13 SER A 153 -40.61 76.67
REMARK 500 14 CYS A 30 157.98 179.40
REMARK 500 14 HIS A 35 -139.19 -142.57
REMARK 500 14 ILE A 39 80.66 53.64
REMARK 500 14 THR A 48 133.94 -179.33
REMARK 500 14 SER A 52 46.24 -82.13
REMARK 500 14 ASP A 53 -27.36 48.01
REMARK 500 14 GLN A 54 -78.79 -101.92
REMARK 500 14 ILE A 56 -34.06 -36.05
REMARK 500 14 SER A 64 -149.52 -169.79
REMARK 500 14 GLN A 77 156.19 -33.93
REMARK 500 14 LEU A 79 106.93 -55.99
REMARK 500 14 GLU A 104 24.16 -77.09
REMARK 500 14 GLU A 105 -51.86 56.92
REMARK 500 14 LEU A 125 71.74 -100.03
REMARK 500 14 LYS A 127 15.46 -51.88
REMARK 500 15 TYR A 29 -88.81 56.55
REMARK 500 15 HIS A 35 -159.57 -141.12
REMARK 500 15 ARG A 38 -56.57 53.75
REMARK 500 15 ILE A 39 80.36 50.20
REMARK 500 15 ARG A 51 96.87 -19.96
REMARK 500 15 SER A 52 78.48 -69.53
REMARK 500 15 ASP A 53 62.44 -50.09
REMARK 500 15 GLN A 54 -79.51 -146.98
REMARK 500 15 GLN A 57 89.83 -69.13
REMARK 500 15 SER A 64 -166.48 79.30
REMARK 500 15 GLN A 77 126.78 -21.20
REMARK 500 15 GLU A 104 26.46 -79.78
REMARK 500 15 GLU A 105 -45.04 56.34
REMARK 500 15 LYS A 127 22.15 -52.02
REMARK 500 15 CYS A 131 -65.39 -128.93
REMARK 500 15 LYS A 132 105.84 -39.65
REMARK 500 15 ALA A 143 -41.37 -148.30
REMARK 500 15 PRO A 148 -131.15 -91.74
REMARK 500 15 PRO A 150 82.68 -62.90
REMARK 500 16 SER A 31 45.06 -78.35
REMARK 500 16 LEU A 37 85.80 -69.82
REMARK 500 16 ILE A 39 87.63 57.42
REMARK 500 16 ASP A 53 -50.20 23.03
REMARK 500 16 ILE A 56 77.21 -60.73
REMARK 500 16 SER A 64 168.71 78.00
REMARK 500 16 LEU A 103 136.49 12.46
REMARK 500 16 GLU A 104 24.85 -78.69
REMARK 500 16 GLU A 105 -47.35 56.92
REMARK 500 16 HIS A 107 24.85 -76.22
REMARK 500 16 ASN A 109 97.37 -68.91
REMARK 500 16 HIS A 116 24.35 -73.95
REMARK 500 16 LYS A 127 39.92 -75.96
REMARK 500 16 PRO A 135 36.10 -76.76
REMARK 500 16 PRO A 148 -125.57 -113.69
REMARK 500 17 HIS A 35 -168.52 -125.03
REMARK 500 17 THR A 48 115.92 -160.48
REMARK 500 17 ASP A 50 118.92 -163.93
REMARK 500 17 ASP A 53 36.16 -60.06
REMARK 500 17 GLN A 54 -70.47 -127.27
REMARK 500 17 SER A 64 -150.26 -160.48
REMARK 500 17 SER A 72 38.16 -82.72
REMARK 500 17 THR A 73 -79.57 30.01
REMARK 500 17 GLN A 77 105.55 -16.97
REMARK 500 17 THR A 83 34.29 -70.06
REMARK 500 17 LEU A 86 34.97 -151.33
REMARK 500 17 LEU A 87 -144.55 44.13
REMARK 500 17 GLU A 101 93.34 -64.23
REMARK 500 17 GLU A 105 -44.14 63.83
REMARK 500 17 HIS A 107 20.50 -76.62
REMARK 500 17 LYS A 127 32.43 -57.21
REMARK 500 17 CYS A 131 -69.80 -108.98
REMARK 500 17 LYS A 132 81.66 -0.06
REMARK 500 17 PRO A 148 39.69 -99.20
REMARK 500 17 VAL A 151 -58.41 73.21
REMARK 500 18 HIS A 35 -152.93 -108.23
REMARK 500 18 ARG A 51 96.61 -66.62
REMARK 500 18 ASP A 53 -15.74 84.35
REMARK 500 18 GLN A 54 -80.53 -79.22
REMARK 500 18 SER A 64 -161.29 -162.68
REMARK 500 18 GLN A 77 131.47 -39.25
REMARK 500 18 GLU A 101 78.39 -65.13
REMARK 500 18 GLU A 105 -52.13 58.00
REMARK 500 18 ASN A 106 43.72 -74.58
REMARK 500 18 HIS A 107 -6.62 63.35
REMARK 500 18 TYR A 108 93.82 -68.95
REMARK 500 18 HIS A 116 25.40 -79.77
REMARK 500 18 LYS A 127 -10.42 -30.63
REMARK 500 18 LYS A 132 99.00 -64.78
REMARK 500 18 ARG A 136 -43.60 -131.99
REMARK 500 18 LYS A 142 -37.60 -39.85
REMARK 500 19 ASP A 50 117.76 -179.02
REMARK 500 19 ASP A 53 -73.19 50.40
REMARK 500 19 GLN A 54 3.76 -152.57
REMARK 500 19 SER A 61 63.65 -105.83
REMARK 500 19 SER A 64 -168.78 -165.55
REMARK 500 19 THR A 73 -77.34 50.57
REMARK 500 19 GLN A 77 133.15 -34.58
REMARK 500 19 GLU A 101 90.41 -68.75
REMARK 500 19 GLU A 105 -57.71 -7.64
REMARK 500 19 ASN A 106 39.22 -59.10
REMARK 500 19 HIS A 116 38.78 -84.60
REMARK 500 19 LYS A 127 7.59 -65.92
REMARK 500 19 LYS A 132 75.31 -6.08
REMARK 500 19 PRO A 150 34.22 -71.92
REMARK 500 20 TYR A 29 35.81 -90.69
REMARK 500 20 HIS A 35 -146.22 -135.57
REMARK 500 20 THR A 48 120.20 -171.38
REMARK 500 20 ASP A 50 70.32 -113.00
REMARK 500 20 GLN A 54 -81.41 -114.20
REMARK 500 20 SER A 61 76.86 -103.12
REMARK 500 20 SER A 64 -60.98 77.19
REMARK 500 20 GLN A 77 136.33 -38.50
REMARK 500 20 GLU A 105 -46.57 61.23
REMARK 500 20 LYS A 127 22.99 -70.63
REMARK 500 20 ARG A 136 -48.76 173.80
REMARK 500 20 ALA A 143 -46.36 -140.72
REMARK 500 20 VAL A 151 -100.00 49.94
REMARK 500 20 SER A 152 70.39 -110.12
REMARK 500 20 SER A 153 -55.05 68.66
REMARK 500 21 TYR A 29 -54.28 65.66
REMARK 500 21 LEU A 37 96.31 -66.54
REMARK 500 21 ASP A 50 100.76 -170.17
REMARK 500 21 SER A 52 13.33 -69.52
REMARK 500 21 ASP A 53 -42.25 65.39
REMARK 500 21 GLN A 54 -61.25 -92.31
REMARK 500 21 GLN A 57 127.60 77.45
REMARK 500 21 GLU A 101 99.96 -67.10
REMARK 500 21 GLU A 105 -73.68 22.41
REMARK 500 21 HIS A 107 -30.21 82.76
REMARK 500 21 HIS A 116 25.16 -78.90
REMARK 500 21 LYS A 127 41.80 -66.79
REMARK 500 21 CYS A 131 -58.17 -120.41
REMARK 500 21 LYS A 132 73.55 -16.36
REMARK 500 21 PRO A 148 -179.36 -67.42
REMARK 500 21 SER A 152 93.70 -67.65
REMARK 500 21 SER A 153 59.32 30.49
REMARK 500 22 ASP A 50 124.21 173.13
REMARK 500 22 ASP A 53 -38.54 -11.32
REMARK 500 22 GLN A 57 129.01 82.62
REMARK 500 22 SER A 61 67.97 -103.16
REMARK 500 22 THR A 73 -85.09 13.76
REMARK 500 22 GLN A 77 112.68 -27.32
REMARK 500 22 GLU A 105 -42.10 57.05
REMARK 500 22 ASN A 106 36.90 -82.56
REMARK 500 22 HIS A 107 -36.55 83.32
REMARK 500 22 TYR A 108 104.95 -55.78
REMARK 500 22 HIS A 116 30.16 -83.70
REMARK 500 22 LYS A 127 29.99 -57.81
REMARK 500 22 LYS A 132 89.86 -55.06
REMARK 500 22 ALA A 143 -51.93 -143.18
REMARK 500 22 PRO A 150 87.09 -67.73
REMARK 500 22 VAL A 151 -92.47 -70.53
REMARK 500 22 SER A 153 94.38 -63.99
REMARK 500 23 HIS A 35 -149.75 -122.63
REMARK 500 23 THR A 48 117.98 -164.21
REMARK 500 23 ASP A 50 72.86 -112.71
REMARK 500 23 ARG A 51 95.12 -66.04
REMARK 500 23 ASP A 53 -11.08 -32.34
REMARK 500 23 GLN A 54 -73.77 -95.38
REMARK 500 23 GLU A 63 64.65 -117.49
REMARK 500 23 SER A 64 -131.53 77.80
REMARK 500 23 GLN A 77 150.91 -49.91
REMARK 500 23 LEU A 86 146.73 -174.00
REMARK 500 23 GLU A 105 -45.73 57.69
REMARK 500 23 HIS A 107 13.86 -69.62
REMARK 500 23 LYS A 127 3.65 -46.35
REMARK 500 23 CYS A 131 -53.70 -123.23
REMARK 500 23 LYS A 132 92.49 -35.49
REMARK 500 23 ARG A 136 -37.41 -169.14
REMARK 500 23 LYS A 142 47.10 -82.25
REMARK 500 23 SER A 152 -161.17 -165.59
REMARK 500 24 TYR A 29 -46.19 67.38
REMARK 500 24 SER A 31 49.16 -88.87
REMARK 500 24 HIS A 35 -150.96 -140.93
REMARK 500 24 ARG A 51 105.49 -52.50
REMARK 500 24 ASP A 53 52.21 -44.43
REMARK 500 24 GLN A 54 -75.40 -147.42
REMARK 500 24 SER A 64 -152.71 -172.59
REMARK 500 24 SER A 72 28.84 -77.59
REMARK 500 24 THR A 73 -75.61 20.12
REMARK 500 24 GLN A 77 146.82 -31.95
REMARK 500 24 LEU A 103 123.25 45.25
REMARK 500 24 GLU A 104 23.54 -79.99
REMARK 500 24 GLU A 105 -56.16 59.91
REMARK 500 24 HIS A 107 -37.58 75.77
REMARK 500 24 HIS A 116 31.96 -81.95
REMARK 500 24 LYS A 127 45.58 -65.36
REMARK 500 24 CYS A 131 -55.56 -128.65
REMARK 500 24 LYS A 132 86.07 -20.34
REMARK 500 24 ARG A 136 -40.15 -175.30
REMARK 500 24 SER A 153 88.87 -60.99
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 GLY A 33 GLY A 34 3 -148.04
REMARK 500 THR A 48 ARG A 49 4 149.59
REMARK 500 GLY A 33 GLY A 34 5 -143.82
REMARK 500 GLN A 57 LEU A 58 6 -146.36
REMARK 500 LYS A 132 ARG A 133 6 148.78
REMARK 500 THR A 48 ARG A 49 7 146.03
REMARK 500 ASN A 32 GLY A 33 12 149.43
REMARK 500 GLY A 33 GLY A 34 15 145.14
REMARK 500 GLY A 33 GLY A 34 17 149.17
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 HIS A 55 0.10 SIDE CHAIN
REMARK 500 1 TYR A 88 0.08 SIDE CHAIN
REMARK 500 1 PHE A 99 0.08 SIDE CHAIN
REMARK 500 2 TYR A 29 0.12 SIDE CHAIN
REMARK 500 2 ARG A 38 0.09 SIDE CHAIN
REMARK 500 2 HIS A 55 0.10 SIDE CHAIN
REMARK 500 2 TYR A 78 0.09 SIDE CHAIN
REMARK 500 2 TYR A 108 0.15 SIDE CHAIN
REMARK 500 2 PHE A 122 0.11 SIDE CHAIN
REMARK 500 2 TYR A 139 0.09 SIDE CHAIN
REMARK 500 2 PHE A 146 0.10 SIDE CHAIN
REMARK 500 3 TYR A 29 0.07 SIDE CHAIN
REMARK 500 3 ARG A 38 0.11 SIDE CHAIN
REMARK 500 3 ARG A 51 0.08 SIDE CHAIN
REMARK 500 3 TYR A 108 0.13 SIDE CHAIN
REMARK 500 3 TYR A 111 0.08 SIDE CHAIN
REMARK 500 3 PHE A 122 0.08 SIDE CHAIN
REMARK 500 4 ARG A 38 0.08 SIDE CHAIN
REMARK 500 4 TYR A 78 0.11 SIDE CHAIN
REMARK 500 4 TYR A 111 0.09 SIDE CHAIN
REMARK 500 4 TYR A 139 0.10 SIDE CHAIN
REMARK 500 5 TYR A 108 0.15 SIDE CHAIN
REMARK 500 5 TYR A 111 0.09 SIDE CHAIN
REMARK 500 5 PHE A 122 0.08 SIDE CHAIN
REMARK 500 5 TYR A 139 0.09 SIDE CHAIN
REMARK 500 6 TYR A 29 0.13 SIDE CHAIN
REMARK 500 6 ARG A 51 0.09 SIDE CHAIN
REMARK 500 6 TYR A 111 0.08 SIDE CHAIN
REMARK 500 6 PHE A 122 0.08 SIDE CHAIN
REMARK 500 7 TYR A 29 0.11 SIDE CHAIN
REMARK 500 7 ARG A 38 0.12 SIDE CHAIN
REMARK 500 7 TYR A 78 0.08 SIDE CHAIN
REMARK 500 7 HIS A 107 0.10 SIDE CHAIN
REMARK 500 7 TYR A 108 0.20 SIDE CHAIN
REMARK 500 7 PHE A 122 0.10 SIDE CHAIN
REMARK 500 7 ARG A 136 0.12 SIDE CHAIN
REMARK 500 7 TYR A 139 0.13 SIDE CHAIN
REMARK 500 8 TYR A 29 0.08 SIDE CHAIN
REMARK 500 8 HIS A 55 0.09 SIDE CHAIN
REMARK 500 8 TYR A 108 0.07 SIDE CHAIN
REMARK 500 8 PHE A 122 0.09 SIDE CHAIN
REMARK 500 8 PHE A 146 0.10 SIDE CHAIN
REMARK 500 9 TYR A 69 0.12 SIDE CHAIN
REMARK 500 9 TYR A 78 0.10 SIDE CHAIN
REMARK 500 9 TRP A 121 0.07 SIDE CHAIN
REMARK 500 9 PHE A 122 0.10 SIDE CHAIN
REMARK 500 9 PHE A 146 0.13 SIDE CHAIN
REMARK 500 10 TYR A 139 0.08 SIDE CHAIN
REMARK 500 10 PHE A 146 0.12 SIDE CHAIN
REMARK 500 11 TYR A 78 0.12 SIDE CHAIN
REMARK 500 11 TYR A 88 0.12 SIDE CHAIN
REMARK 500 11 PHE A 146 0.14 SIDE CHAIN
REMARK 500 12 PHE A 36 0.09 SIDE CHAIN
REMARK 500 12 TYR A 69 0.10 SIDE CHAIN
REMARK 500 12 PHE A 122 0.08 SIDE CHAIN
REMARK 500 13 TYR A 29 0.11 SIDE CHAIN
REMARK 500 13 PHE A 36 0.09 SIDE CHAIN
REMARK 500 13 TYR A 78 0.08 SIDE CHAIN
REMARK 500 13 TYR A 88 0.09 SIDE CHAIN
REMARK 500 13 PHE A 122 0.09 SIDE CHAIN
REMARK 500 13 ARG A 133 0.09 SIDE CHAIN
REMARK 500 14 HIS A 35 0.09 SIDE CHAIN
REMARK 500 14 TYR A 78 0.14 SIDE CHAIN
REMARK 500 14 TYR A 88 0.09 SIDE CHAIN
REMARK 500 14 PHE A 122 0.09 SIDE CHAIN
REMARK 500 14 ARG A 133 0.15 SIDE CHAIN
REMARK 500 15 TYR A 29 0.06 SIDE CHAIN
REMARK 500 15 HIS A 55 0.09 SIDE CHAIN
REMARK 500 15 PHE A 122 0.10 SIDE CHAIN
REMARK 500 15 TYR A 139 0.14 SIDE CHAIN
REMARK 500 16 TYR A 29 0.08 SIDE CHAIN
REMARK 500 16 TYR A 69 0.12 SIDE CHAIN
REMARK 500 16 TYR A 78 0.13 SIDE CHAIN
REMARK 500 16 TYR A 88 0.08 SIDE CHAIN
REMARK 500 16 TYR A 108 0.07 SIDE CHAIN
REMARK 500 16 TYR A 111 0.07 SIDE CHAIN
REMARK 500 16 TYR A 139 0.10 SIDE CHAIN
REMARK 500 16 PHE A 146 0.07 SIDE CHAIN
REMARK 500 17 ARG A 38 0.07 SIDE CHAIN
REMARK 500 17 ARG A 49 0.10 SIDE CHAIN
REMARK 500 17 TYR A 69 0.07 SIDE CHAIN
REMARK 500 17 TYR A 88 0.15 SIDE CHAIN
REMARK 500 17 PHE A 146 0.08 SIDE CHAIN
REMARK 500 18 TYR A 69 0.10 SIDE CHAIN
REMARK 500 18 TYR A 88 0.08 SIDE CHAIN
REMARK 500 18 TYR A 139 0.07 SIDE CHAIN
REMARK 500 19 ARG A 38 0.11 SIDE CHAIN
REMARK 500 19 TYR A 78 0.12 SIDE CHAIN
REMARK 500 19 TYR A 88 0.09 SIDE CHAIN
REMARK 500 19 TYR A 111 0.07 SIDE CHAIN
REMARK 500 19 TYR A 139 0.11 SIDE CHAIN
REMARK 500 20 PHE A 146 0.10 SIDE CHAIN
REMARK 500 21 TYR A 29 0.12 SIDE CHAIN
REMARK 500 21 ARG A 38 0.08 SIDE CHAIN
REMARK 500 21 TYR A 69 0.10 SIDE CHAIN
REMARK 500 21 TYR A 78 0.09 SIDE CHAIN
REMARK 500 21 TYR A 88 0.11 SIDE CHAIN
REMARK 500 21 TYR A 108 0.15 SIDE CHAIN
REMARK 500 21 TYR A 111 0.13 SIDE CHAIN
REMARK 500 21 PHE A 122 0.08 SIDE CHAIN
REMARK 500 22 TYR A 29 0.13 SIDE CHAIN
REMARK 500 22 ARG A 38 0.10 SIDE CHAIN
REMARK 500 22 HIS A 55 0.11 SIDE CHAIN
REMARK 500 22 TYR A 108 0.09 SIDE CHAIN
REMARK 500 22 TYR A 139 0.12 SIDE CHAIN
REMARK 500 23 TYR A 29 0.09 SIDE CHAIN
REMARK 500 23 HIS A 55 0.09 SIDE CHAIN
REMARK 500 23 HIS A 107 0.10 SIDE CHAIN
REMARK 500 23 TYR A 108 0.07 SIDE CHAIN
REMARK 500 23 PHE A 146 0.11 SIDE CHAIN
REMARK 500 24 TYR A 29 0.12 SIDE CHAIN
REMARK 500 24 TYR A 78 0.12 SIDE CHAIN
REMARK 500 24 TYR A 88 0.06 SIDE CHAIN
REMARK 500 24 TYR A 108 0.11 SIDE CHAIN
REMARK 500 24 TYR A 111 0.09 SIDE CHAIN
REMARK 500 24 PHE A 146 0.09 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, 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 1 GLY A 33 11.67
REMARK 500 1 SER A 61 10.30
REMARK 500 2 GLY A 33 13.92
REMARK 500 2 LEU A 103 -12.00
REMARK 500 2 ALA A 117 -10.35
REMARK 500 2 SER A 130 10.45
REMARK 500 3 SER A 52 14.27
REMARK 500 3 GLN A 54 -10.03
REMARK 500 3 ALA A 117 -10.28
REMARK 500 4 SER A 31 11.11
REMARK 500 4 LEU A 60 -11.15
REMARK 500 4 SER A 61 12.58
REMARK 500 4 TYR A 139 11.73
REMARK 500 5 ALA A 117 -11.13
REMARK 500 5 ARG A 133 15.33
REMARK 500 6 GLY A 129 -10.41
REMARK 500 6 ARG A 133 12.57
REMARK 500 7 PRO A 41 -10.53
REMARK 500 7 SER A 52 12.17
REMARK 500 7 LYS A 126 12.62
REMARK 500 8 SER A 52 12.72
REMARK 500 8 GLN A 54 -10.33
REMARK 500 8 ARG A 133 13.99
REMARK 500 9 GLY A 33 13.29
REMARK 500 9 GLY A 43 -10.89
REMARK 500 9 LYS A 71 10.33
REMARK 500 9 ASP A 82 -10.61
REMARK 500 9 HIS A 107 -11.35
REMARK 500 9 ALA A 117 -10.45
REMARK 500 9 SER A 130 -10.32
REMARK 500 10 SER A 61 12.76
REMARK 500 10 ASP A 82 -11.35
REMARK 500 10 GLY A 85 -11.80
REMARK 500 10 PRO A 93 10.04
REMARK 500 10 ARG A 102 10.64
REMARK 500 10 LEU A 103 -11.67
REMARK 500 10 GLY A 124 10.26
REMARK 500 10 LEU A 125 10.25
REMARK 500 11 LEU A 40 -10.67
REMARK 500 11 SER A 52 11.39
REMARK 500 11 HIS A 55 -10.63
REMARK 500 11 ASP A 82 -10.03
REMARK 500 11 ALA A 117 -11.38
REMARK 500 12 SER A 31 11.52
REMARK 500 12 HIS A 55 -11.02
REMARK 500 13 GLY A 33 10.99
REMARK 500 13 TYR A 139 10.29
REMARK 500 14 HIS A 55 -10.18
REMARK 500 14 SER A 61 11.25
REMARK 500 14 ASP A 82 -10.20
REMARK 500 14 ALA A 117 -10.08
REMARK 500 14 LYS A 132 10.22
REMARK 500 15 SER A 31 10.02
REMARK 500 15 GLN A 54 -10.71
REMARK 500 15 ALA A 117 -10.80
REMARK 500 15 LEU A 125 12.25
REMARK 500 15 LYS A 142 12.48
REMARK 500 16 SER A 52 13.80
REMARK 500 17 SER A 52 11.01
REMARK 500 17 TYR A 108 10.36
REMARK 500 17 TYR A 139 12.45
REMARK 500 18 GLY A 33 10.82
REMARK 500 18 ALA A 117 -11.35
REMARK 500 18 GLY A 129 -11.14
REMARK 500 18 ARG A 133 11.96
REMARK 500 19 GLY A 33 10.65
REMARK 500 19 SER A 52 12.83
REMARK 500 19 ASP A 82 -10.61
REMARK 500 19 ALA A 117 -11.37
REMARK 500 20 SER A 31 10.12
REMARK 500 20 SER A 61 12.59
REMARK 500 20 GLU A 63 10.56
REMARK 500 20 PRO A 93 10.22
REMARK 500 20 GLY A 129 -11.81
REMARK 500 20 LYS A 132 16.32
REMARK 500 20 ARG A 133 -15.53
REMARK 500 20 TYR A 139 10.47
REMARK 500 21 PRO A 93 10.38
REMARK 500 22 SER A 52 12.06
REMARK 500 22 SER A 61 11.32
REMARK 500 22 PRO A 150 10.47
REMARK 500 23 SER A 31 10.37
REMARK 500 23 LEU A 79 10.30
REMARK 500 23 PRO A 93 12.89
REMARK 500 23 ASN A 106 -10.50
REMARK 500 23 GLY A 124 10.28
REMARK 500 23 TYR A 139 10.02
REMARK 500 24 GLY A 33 12.27
REMARK 500 24 SER A 52 12.46
REMARK 500 24 SER A 61 10.47
REMARK 500 24 ARG A 102 13.38
REMARK 500 24 LEU A 103 -10.32
REMARK 500 24 ARG A 133 10.41
REMARK 500 24 TYR A 139 10.82
REMARK 500
REMARK 500 REMARK: NULL
REMARK 500
REMARK 500 GEOMETRY AND STEREOCHEMISTRY
REMARK 500 SUBTOPIC: CHIRAL CENTERS
REMARK 500
REMARK 500 UNEXPECTED CONFIGURATION OF THE FOLLOWING CHIRAL
REMARK 500 CENTER(S) USING IMPROPER CA--C--CB--N CHIRALITY
REMARK 500 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,A1,6X,F5.1,6X,A1,10X,A1,3X,A16)
REMARK 500
REMARK 500 M RES CSSEQI IMPROPER EXPECTED FOUND DETAILS
REMARK 500 1 LEU A 60 22.7 L L OUTSIDE RANGE
REMARK 500 1 LYS A 132 22.0 L L OUTSIDE RANGE
REMARK 500 2 LEU A 60 21.9 L L OUTSIDE RANGE
REMARK 500 2 LYS A 132 23.3 L L OUTSIDE RANGE
REMARK 500 3 LYS A 132 24.8 L L OUTSIDE RANGE
REMARK 500 4 THR A 48 24.5 L L OUTSIDE RANGE
REMARK 500 4 LEU A 60 22.4 L L OUTSIDE RANGE
REMARK 500 4 VAL A 151 22.8 L L OUTSIDE RANGE
REMARK 500 5 LYS A 132 24.4 L L OUTSIDE RANGE
REMARK 500 6 LYS A 132 22.5 L L OUTSIDE RANGE
REMARK 500 7 THR A 48 24.7 L L OUTSIDE RANGE
REMARK 500 7 LEU A 60 23.1 L L OUTSIDE RANGE
REMARK 500 7 VAL A 123 24.7 L L OUTSIDE RANGE
REMARK 500 7 LYS A 132 24.9 L L OUTSIDE RANGE
REMARK 500 7 PHE A 146 23.8 L L OUTSIDE RANGE
REMARK 500 8 THR A 48 23.4 L L OUTSIDE RANGE
REMARK 500 8 LYS A 132 20.6 L L OUTSIDE RANGE
REMARK 500 10 LEU A 60 24.2 L L OUTSIDE RANGE
REMARK 500 12 LEU A 60 24.3 L L OUTSIDE RANGE
REMARK 500 13 LEU A 60 24.5 L L OUTSIDE RANGE
REMARK 500 13 LYS A 132 24.5 L L OUTSIDE RANGE
REMARK 500 13 PHE A 146 24.5 L L OUTSIDE RANGE
REMARK 500 14 LEU A 60 21.3 L L OUTSIDE RANGE
REMARK 500 14 PHE A 146 24.3 L L OUTSIDE RANGE
REMARK 500 15 TYR A 29 23.7 L L OUTSIDE RANGE
REMARK 500 15 ARG A 38 24.8 L L OUTSIDE RANGE
REMARK 500 15 ARG A 133 24.8 L L OUTSIDE RANGE
REMARK 500 16 LEU A 60 19.9 L L OUTSIDE RANGE
REMARK 500 17 LYS A 132 24.8 L L OUTSIDE RANGE
REMARK 500 18 ILE A 56 24.6 L L OUTSIDE RANGE
REMARK 500 19 ASP A 53 23.7 L L OUTSIDE RANGE
REMARK 500 19 ILE A 70 24.7 L L OUTSIDE RANGE
REMARK 500 19 LYS A 132 24.0 L L OUTSIDE RANGE
REMARK 500 20 LYS A 132 24.2 L L OUTSIDE RANGE
REMARK 500 21 THR A 48 23.6 L L OUTSIDE RANGE
REMARK 500 22 LEU A 60 22.1 L L OUTSIDE RANGE
REMARK 500 23 LYS A 132 23.7 L L OUTSIDE RANGE
REMARK 500 24 LEU A 60 23.2 L L OUTSIDE RANGE
REMARK 500
REMARK 500 REMARK: NULL
REMARK 900
REMARK 900 RELATED ENTRIES
REMARK 900 RELATED ID: 2AFG RELATED DB: PDB
REMARK 900 RELATED ID: 1AXM RELATED DB: PDB
REMARK 900 RELATED ID: 2AXM RELATED DB: PDB
REMARK 900 RELATED ID: 1RML RELATED DB: PDB
REMARK 900 RELATED ID: 1DZC RELATED DB: PDB
DBREF 1DZD A 28 154 UNP P05230 FGF1_HUMAN 29 155
SEQRES 1 A 127 LEU TYR CYS SER ASN GLY GLY HIS PHE LEU ARG ILE LEU
SEQRES 2 A 127 PRO ASP GLY THR VAL ASP GLY THR ARG ASP ARG SER ASP
SEQRES 3 A 127 GLN HIS ILE GLN LEU GLN LEU SER ALA GLU SER VAL GLY
SEQRES 4 A 127 GLU VAL TYR ILE LYS SER THR GLU THR GLY GLN TYR LEU
SEQRES 5 A 127 ALA MET ASP THR ASP GLY LEU LEU TYR GLY SER GLN THR
SEQRES 6 A 127 PRO ASN GLU GLU CYS LEU PHE LEU GLU ARG LEU GLU GLU
SEQRES 7 A 127 ASN HIS TYR ASN THR TYR ILE SER LYS LYS HIS ALA GLU
SEQRES 8 A 127 LYS ASN TRP PHE VAL GLY LEU LYS LYS ASN GLY SER CYS
SEQRES 9 A 127 LYS ARG GLY PRO ARG THR HIS TYR GLY GLN LYS ALA ILE
SEQRES 10 A 127 LEU PHE LEU PRO LEU PRO VAL SER SER ASP
HELIX 1 1 ASN A 94 GLU A 96 5 3
HELIX 2 2 LYS A 115 ASN A 120 5 6
HELIX 3 3 GLN A 141 LEU A 145 5 5
SHEET 1 A 2 ARG A 38 LEU A 40 0
SHEET 2 A 2 THR A 44 ASP A 46 -1 N ASP A 46 O ARG A 38
SHEET 1 B 4 TYR A 111 SER A 113 0
SHEET 2 B 4 LEU A 98 GLU A 101 -1 N LEU A 100 O ILE A 112
SHEET 3 B 4 GLU A 67 LYS A 71 -1 N VAL A 68 O PHE A 99
SHEET 4 B 4 GLN A 59 SER A 64 -1 N SER A 64 O GLU A 67
SHEET 1 C 2 TYR A 78 ASP A 82 0
SHEET 2 C 2 LEU A 86 SER A 90 -1 N SER A 90 O TYR A 78
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