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Дата изменения: Sat May 19 13:38:48 2012
Дата индексирования: Tue Oct 2 12:07:44 2012
Кодировка:
REM -------------------------------------------------------------------- 2FD8
REM 2FD8
REM STRIDE: Knowledge-based secondary structure assignment 2FD8
REM Please cite: D.Frishman & P.Argos, Proteins 23, 566-579, 1995 2FD8
REM 2FD8
REM Residue accessible surface area calculation 2FD8
REM Please cite: F.Eisenhaber & P.Argos, J.Comp.Chem. 14, 1272-1280, 1993 2FD8
REM F.Eisenhaber et al., J.Comp.Chem., 1994, submitted 2FD8
REM 2FD8
REM ------------------------ General information ----------------------- 2FD8
REM 2FD8
HDR OXIDOREDUCTASE/DNA 13-DEC-05 2FD8 2FD8
CMP MOL_ID: 1; 2FD8
CMP MOLECULE: 5'-D(P*TP*(MA7)P*T)-3'; 2FD8
CMP CHAIN: B; 2FD8
CMP ENGINEERED: YES; 2FD8
CMP MOL_ID: 2; 2FD8
CMP MOLECULE: ALKYLATED DNA REPAIR PROTEIN ALKB; 2FD8
CMP CHAIN: A; 2FD8
CMP FRAGMENT: RESIDUES 12-216; 2FD8
CMP ENGINEERED: YES 2FD8
SRC MOL_ID: 1; 2FD8
SRC SYNTHETIC: YES; 2FD8
SRC MOL_ID: 2; 2FD8
SRC ORGANISM_SCIENTIFIC: ESCHERICHIA COLI K12; 2FD8
SRC ORGANISM_TAXID: 83333; 2FD8
SRC STRAIN: K-12; 2FD8
SRC GENE: ALKB, AIDD; 2FD8
SRC EXPRESSION_SYSTEM: ESCHERICHIA COLI BL21(DE3); 2FD8
SRC EXPRESSION_SYSTEM_TAXID: 469008; 2FD8
SRC EXPRESSION_SYSTEM_STRAIN: BL21(DE3); 2FD8
SRC EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; 2FD8
SRC EXPRESSION_SYSTEM_PLASMID: PET26 2FD8
AUT B.YU,J.BENACH,W.C.EDSTROM,B.R.GIBNEY,J.F.HUNT,NORTHEAST STRUC 2FD8
AUT GENOMICS CONSORTIUM (NESG) 2FD8
REM 2FD8
REM -------------------- Secondary structure summary ------------------- 2FD8
REM 2FD8
CHN /data/npidb/pdb/pdb_new/all/pdb2fd8.pdb A 2FD8
REM 2FD8
REM . . . . . 2FD8
SEQ 1 LAAGAVILRRFAFNAAEQLIRDINDVASQSPFRQMVTPGGYTMSVAMTNC 50 2FD8
STR TTTEEEETTTTGGGHHHHHHHHHHHHHH EEEEETTTEEEEEEEEEE 2FD8
REM 2FD8
REM . . . . . 2FD8
SEQ 51 GHLGWTTHRQGYLYSPIDPQTNKPWPAMPQSFHNLCQRAATAAGYPDFQP 100 2FD8
STR ETTEEEEETTEEEEE BTTTTT B HHHHHHHHHHHHHH TTTT 2FD8
REM 2FD8
REM . . . . . 2FD8
SEQ 101 DACLINRYAPGAKLSLHQDKDEPDLRAPIVSVSLGLPAIFQFGGLKRNDP 150 2FD8
STR EEEEEEETTTb EEEE TTTTTT EEEEEEE EEEEEEb TTTT 2FD8
REM 2FD8
REM . . . . 2FD8
SEQ 151 LKRLLLEHGDVVVWGGESRLFYHGIQPLKAGFHPLTIDCRYNLTFRQAG 199 2FD8
STR EEEEETTTEEEEETTTGGG EEEE b BTTTBTTEEEEEEE 2FD8
REM 2FD8
REM 2FD8
REM 2FD8
LOC AlphaHelix ALA 30 A GLN 43 A 2FD8
LOC AlphaHelix GLN 94 A ALA 107 A 2FD8
LOC 310Helix PHE 27 A ALA 29 A 2FD8
LOC 310Helix SER 182 A LEU 184 A 2FD8
LOC Strand ALA 19 A LEU 22 A 2FD8
LOC Strand ARG 47 A THR 51 A 2FD8
LOC Strand TYR 55 A GLY 65 A 2FD8
LOC Strand GLY 68 A HIS 72 A 2FD8
LOC Strand GLY 75 A SER 79 A 2FD8
LOC Strand ALA 116 A TYR 122 A 2FD8
LOC Strand LEU 128 A HIS 131 A 2FD8
LOC Strand ILE 143 A GLY 149 A 2FD8
LOC Strand ALA 152 A GLY 157 A 2FD8
LOC Strand LYS 166 A LEU 170 A 2FD8
LOC Strand ASP 174 A TRP 178 A 2FD8
LOC Strand TYR 186 A ILE 189 A 2FD8
LOC Strand ARG 204 A ARG 210 A 2FD8
LOC TurnII ALA 16 A ALA 19 A 2FD8
LOC TurnII LEU 22 A PHE 25 A 2FD8
LOC TurnI ARG 24 A PHE 27 A 2FD8
LOC TurnI THR 51 A GLY 54 A 2FD8
LOC TurnVIII GLY 65 A GLY 68 A 2FD8
LOC TurnI HIS 72 A GLY 75 A 2FD8
LOC TurnIV ASP 82 A THR 85 A 2FD8
LOC TurnI PRO 83 A ASN 86 A 2FD8
LOC TurnI TYR 109 A PHE 112 A 2FD8
LOC TurnII ALA 123 A ALA 126 A 2FD8
LOC TurnVIII GLU 136 A LEU 139 A 2FD8
LOC TurnI ASP 138 A ALA 141 A 2FD8
LOC TurnI LYS 160 A ASP 163 A 2FD8
LOC TurnII GLU 171 A ASP 174 A 2FD8
LOC TurnII' GLY 179 A SER 182 A 2FD8
LOC TurnI HIS 197 A THR 200 A 2FD8
LOC TurnI PRO 198 A ILE 201 A 2FD8
LOC TurnIV THR 200 A CYS 203 A 2FD8
LOC GammaClassic THR 200 A ASP 202 A 2FD8
REM 2FD8
REM --------------- Detailed secondary structure assignment------------- 2FD8
REM 2FD8
REM |---Residue---| |--Structure--| |-Phi-| |-Psi-| |-Area-| 2FD8
ASG LEU A 15 1 C Coil 360.00 137.28 193.7 2FD8
ASG ALA A 16 2 T Turn -137.14 141.83 31.8 2FD8
ASG ALA A 17 3 T Turn -96.47 117.69 45.3 2FD8
ASG GLY A 18 4 T Turn 92.13 -13.85 35.3 2FD8
ASG ALA A 19 5 E Strand -86.32 127.46 19.6 2FD8
ASG VAL A 20 6 E Strand -113.01 107.68 46.6 2FD8
ASG ILE A 21 7 E Strand -94.03 116.17 51.6 2FD8
ASG LEU A 22 8 E Strand -114.62 87.14 34.9 2FD8
ASG ARG A 23 9 T Turn -69.49 132.49 140.1 2FD8
ASG ARG A 24 10 T Turn 63.61 18.15 131.6 2FD8
ASG PHE A 25 11 T Turn -61.95 -35.83 61.1 2FD8
ASG ALA A 26 12 T Turn -96.35 16.92 0.0 2FD8
ASG PHE A 27 13 G 310Helix -58.34 -47.50 125.4 2FD8
ASG ASN A 28 14 G 310Helix -69.97 -32.21 149.5 2FD8
ASG ALA A 29 15 G 310Helix -85.40 -17.79 23.5 2FD8
ASG ALA A 30 16 H AlphaHelix -42.67 -48.11 0.8 2FD8
ASG GLU A 31 17 H AlphaHelix -65.28 -40.27 109.1 2FD8
ASG GLN A 32 18 H AlphaHelix -73.30 -28.70 80.4 2FD8
ASG LEU A 33 19 H AlphaHelix -70.18 -39.47 0.0 2FD8
ASG ILE A 34 20 H AlphaHelix -70.59 -32.63 13.6 2FD8
ASG ARG A 35 21 H AlphaHelix -70.58 -37.20 123.9 2FD8
ASG ASP A 36 22 H AlphaHelix -76.83 -24.57 27.5 2FD8
ASG ILE A 37 23 H AlphaHelix -71.69 -43.34 0.2 2FD8
ASG ASN A 38 24 H AlphaHelix -61.49 -36.40 90.1 2FD8
ASG ASP A 39 25 H AlphaHelix -70.31 -43.43 100.4 2FD8
ASG VAL A 40 26 H AlphaHelix -63.43 -44.18 2.6 2FD8
ASG ALA A 41 27 H AlphaHelix -63.06 -19.73 20.5 2FD8
ASG SER A 42 28 H AlphaHelix -83.23 -17.55 93.8 2FD8
ASG GLN A 43 29 H AlphaHelix -99.92 -47.52 86.0 2FD8
ASG SER A 44 30 C Coil -119.86 96.34 0.4 2FD8
ASG PRO A 45 31 C Coil -60.44 156.38 50.1 2FD8
ASG PHE A 46 32 C Coil -73.05 129.59 31.2 2FD8
ASG ARG A 47 33 E Strand -137.25 149.90 24.8 2FD8
ASG GLN A 48 34 E Strand -93.51 104.58 105.7 2FD8
ASG MET A 49 35 E Strand -64.98 145.69 8.0 2FD8
ASG VAL A 50 36 E Strand -99.16 121.06 71.7 2FD8
ASG THR A 51 37 E Strand -65.45 153.04 31.3 2FD8
ASG PRO A 52 38 T Turn -48.03 -24.88 61.3 2FD8
ASG GLY A 53 39 T Turn -83.14 -0.85 61.4 2FD8
ASG GLY A 54 40 T Turn 94.79 12.00 52.4 2FD8
ASG TYR A 55 41 E Strand -107.37 128.23 180.4 2FD8
ASG THR A 56 42 E Strand -75.24 130.34 88.8 2FD8
ASG MET A 57 43 E Strand -73.81 144.76 27.7 2FD8
ASG SER A 58 44 E Strand -76.27 -26.71 43.5 2FD8
ASG VAL A 59 45 E Strand -81.97 133.04 0.2 2FD8
ASG ALA A 60 46 E Strand -91.54 134.38 3.8 2FD8
ASG MET A 61 47 E Strand -131.23 158.58 4.8 2FD8
ASG THR A 62 48 E Strand -158.08 171.61 0.0 2FD8
ASG ASN A 63 49 E Strand -140.68 164.78 0.0 2FD8
ASG CYS A 64 50 E Strand -146.88 149.66 0.0 2FD8
ASG GLY A 65 51 E Strand 118.48 -174.73 8.0 2FD8
ASG HIS A 66 52 T Turn -69.25 -34.46 153.3 2FD8
ASG LEU A 67 53 T Turn -125.71 156.29 31.9 2FD8
ASG GLY A 68 54 E Strand -145.38 136.23 0.0 2FD8
ASG TRP A 69 55 E Strand -71.66 134.35 24.9 2FD8
ASG THR A 70 56 E Strand -155.35 158.72 5.2 2FD8
ASG THR A 71 57 E Strand -89.99 152.97 17.0 2FD8
ASG HIS A 72 58 E Strand -146.63 173.01 70.9 2FD8
ASG ARG A 73 59 T Turn -63.06 -39.63 200.8 2FD8
ASG GLN A 74 60 T Turn -85.58 -9.07 187.6 2FD8
ASG GLY A 75 61 E Strand 139.58 -155.00 16.4 2FD8
ASG TYR A 76 62 E Strand -95.38 136.06 110.0 2FD8
ASG LEU A 77 63 E Strand -152.78 164.25 69.7 2FD8
ASG TYR A 78 64 E Strand -98.22 133.58 32.0 2FD8
ASG SER A 79 65 E Strand -134.11 141.52 28.3 2FD8
ASG PRO A 80 66 C Coil -81.58 -7.11 71.0 2FD8
ASG ILE A 81 67 B Bridge -115.99 138.97 70.0 2FD8
ASG ASP A 82 68 T Turn -79.56 114.58 0.0 2FD8
ASG PRO A 83 69 T Turn -63.70 -14.19 61.5 2FD8
ASG GLN A 84 70 T Turn -89.38 -51.39 103.9 2FD8
ASG THR A 85 71 T Turn -85.05 -18.59 39.1 2FD8
ASG ASN A 86 72 T Turn 63.63 17.05 123.3 2FD8
ASG LYS A 87 73 C Coil -110.39 165.22 115.2 2FD8
ASG PRO A 88 74 B Bridge -74.34 161.99 76.3 2FD8
ASG TRP A 89 75 C Coil -65.94 154.32 10.9 2FD8
ASG PRO A 90 76 C Coil -64.19 160.08 5.6 2FD8
ASG ALA A 91 77 C Coil -69.92 152.95 82.1 2FD8
ASG MET A 92 78 C Coil -68.34 120.84 18.9 2FD8
ASG PRO A 93 79 C Coil -61.18 154.46 17.5 2FD8
ASG GLN A 94 80 H AlphaHelix -65.57 -36.89 129.1 2FD8
ASG SER A 95 81 H AlphaHelix -62.14 -38.29 21.3 2FD8
ASG PHE A 96 82 H AlphaHelix -63.59 -51.02 0.0 2FD8
ASG HIS A 97 83 H AlphaHelix -56.60 -49.86 65.6 2FD8
ASG ASN A 98 84 H AlphaHelix -60.94 -45.27 77.9 2FD8
ASG LEU A 99 85 H AlphaHelix -67.07 -48.35 2.3 2FD8
ASG CYS A 100 86 H AlphaHelix -59.12 -40.56 0.4 2FD8
ASG GLN A 101 87 H AlphaHelix -63.70 -48.01 123.2 2FD8
ASG ARG A 102 88 H AlphaHelix -66.38 -33.99 131.6 2FD8
ASG ALA A 103 89 H AlphaHelix -71.89 -45.00 0.0 2FD8
ASG ALA A 104 90 H AlphaHelix -67.58 -36.77 1.6 2FD8
ASG THR A 105 91 H AlphaHelix -67.09 -40.63 75.1 2FD8
ASG ALA A 106 92 H AlphaHelix -68.31 -22.86 59.9 2FD8
ASG ALA A 107 93 H AlphaHelix -89.74 -15.64 17.4 2FD8
ASG GLY A 108 94 C Coil 107.42 19.25 54.8 2FD8
ASG TYR A 109 95 T Turn -127.81 78.92 64.6 2FD8
ASG PRO A 110 96 T Turn -77.99 -15.67 89.2 2FD8
ASG ASP A 111 97 T Turn -90.45 -17.58 138.1 2FD8
ASG PHE A 112 98 T Turn -52.67 115.81 21.4 2FD8
ASG GLN A 113 99 C Coil -123.25 92.30 149.8 2FD8
ASG PRO A 114 100 C Coil -71.33 144.20 17.0 2FD8
ASG ASP A 115 101 C Coil -124.65 7.32 31.3 2FD8
ASG ALA A 116 102 E Strand -149.75 135.42 0.2 2FD8
ASG CYS A 117 103 E Strand -133.83 106.62 0.0 2FD8
ASG LEU A 118 104 E Strand -82.77 121.54 5.2 2FD8
ASG ILE A 119 105 E Strand -105.38 115.75 0.0 2FD8
ASG ASN A 120 106 E Strand -105.32 133.76 7.0 2FD8
ASG ARG A 121 107 E Strand -116.11 126.46 83.7 2FD8
ASG TYR A 122 108 E Strand -111.45 112.34 3.2 2FD8
ASG ALA A 123 109 T Turn -84.68 166.54 48.1 2FD8
ASG PRO A 124 110 T Turn -58.07 126.96 67.4 2FD8
ASG GLY A 125 111 T Turn 94.07 -13.77 41.9 2FD8
ASG ALA A 126 112 b Bridge -63.54 139.64 4.8 2FD8
ASG LYS A 127 113 C Coil -137.74 168.16 115.4 2FD8
ASG LEU A 128 114 E Strand -142.38 108.65 26.9 2FD8
ASG SER A 129 115 E Strand -67.03 160.46 88.0 2FD8
ASG LEU A 130 116 E Strand -50.17 131.45 26.2 2FD8
ASG HIS A 131 117 E Strand -159.72 168.80 55.5 2FD8
ASG GLN A 132 118 C Coil -119.15 149.78 35.6 2FD8
ASG ASP A 133 119 C Coil -99.84 94.94 10.6 2FD8
ASG LYS A 134 120 C Coil -129.44 30.74 133.5 2FD8
ASG ASP A 135 121 C Coil -101.05 -4.24 50.1 2FD8
ASG GLU A 136 122 T Turn -88.63 143.83 8.8 2FD8
ASG PRO A 137 123 T Turn -66.18 -39.93 84.1 2FD8
ASG ASP A 138 124 T Turn -116.02 106.02 65.4 2FD8
ASG LEU A 139 125 T Turn -73.32 -4.80 74.5 2FD8
ASG ARG A 140 126 T Turn -78.11 -25.05 210.5 2FD8
ASG ALA A 141 127 T Turn -77.50 135.25 11.2 2FD8
ASG PRO A 142 128 C Coil -77.50 175.88 5.5 2FD8
ASG ILE A 143 129 E Strand -125.92 125.43 8.8 2FD8
ASG VAL A 144 130 E Strand -98.69 119.88 0.0 2FD8
ASG SER A 145 131 E Strand -108.29 129.43 3.6 2FD8
ASG VAL A 146 132 E Strand -124.02 120.54 0.0 2FD8
ASG SER A 147 133 E Strand -98.38 136.71 0.8 2FD8
ASG LEU A 148 134 E Strand -138.62 137.67 0.4 2FD8
ASG GLY A 149 135 E Strand 93.04 -142.54 0.9 2FD8
ASG LEU A 150 136 C Coil -57.19 146.62 7.6 2FD8
ASG PRO A 151 137 C Coil -72.79 148.62 57.2 2FD8
ASG ALA A 152 138 E Strand -138.65 147.00 3.3 2FD8
ASG ILE A 153 139 E Strand -92.11 111.91 64.2 2FD8
ASG PHE A 154 140 E Strand -91.83 129.30 15.6 2FD8
ASG GLN A 155 141 E Strand -119.27 132.42 38.1 2FD8
ASG PHE A 156 142 E Strand -131.87 143.34 10.6 2FD8
ASG GLY A 157 143 E Strand -115.30 -123.57 10.6 2FD8
ASG GLY A 158 144 b Bridge -135.88 -141.84 4.6 2FD8
ASG LEU A 159 145 C Coil -77.05 -33.92 109.4 2FD8
ASG LYS A 160 146 T Turn -103.32 173.84 156.0 2FD8
ASG ARG A 161 147 T Turn -73.88 -45.80 156.9 2FD8
ASG ASN A 162 148 T Turn -90.35 37.07 167.6 2FD8
ASG ASP A 163 149 T Turn -92.75 141.93 61.4 2FD8
ASG PRO A 164 150 C Coil -53.82 119.47 110.5 2FD8
ASG LEU A 165 151 C Coil -81.89 137.95 83.0 2FD8
ASG LYS A 166 152 E Strand -117.17 145.75 110.4 2FD8
ASG ARG A 167 153 E Strand -110.95 149.35 186.4 2FD8
ASG LEU A 168 154 E Strand -146.09 129.73 30.2 2FD8
ASG LEU A 169 155 E Strand -86.55 129.75 82.0 2FD8
ASG LEU A 170 156 E Strand -112.45 113.39 2.0 2FD8
ASG GLU A 171 157 T Turn -103.51 178.65 68.3 2FD8
ASG HIS A 172 158 T Turn -57.27 123.38 17.3 2FD8
ASG GLY A 173 159 T Turn 92.59 -14.43 0.0 2FD8
ASG ASP A 174 160 E Strand -63.79 131.96 2.0 2FD8
ASG VAL A 175 161 E Strand -123.02 128.87 0.0 2FD8
ASG VAL A 176 162 E Strand -126.93 127.93 0.6 2FD8
ASG VAL A 177 163 E Strand -103.15 109.70 0.0 2FD8
ASG TRP A 178 164 E Strand -87.01 83.31 21.8 2FD8
ASG GLY A 179 165 T Turn -107.18 179.81 0.4 2FD8
ASG GLY A 180 166 T Turn 53.54 -131.51 49.8 2FD8
ASG GLU A 181 167 T Turn -68.27 -36.20 118.0 2FD8
ASG SER A 182 168 G 310Helix -61.99 -20.76 5.6 2FD8
ASG ARG A 183 169 G 310Helix -62.63 -29.18 9.0 2FD8
ASG LEU A 184 170 G 310Helix -102.17 0.48 66.5 2FD8
ASG PHE A 185 171 C Coil -71.39 148.55 29.9 2FD8
ASG TYR A 186 172 E Strand -73.29 134.15 41.3 2FD8
ASG HIS A 187 173 E Strand -149.18 167.85 31.7 2FD8
ASG GLY A 188 174 E Strand -177.12 176.32 0.8 2FD8
ASG ILE A 189 175 E Strand -118.70 132.80 7.0 2FD8
ASG GLN A 190 176 C Coil -78.28 154.59 52.3 2FD8
ASG PRO A 191 177 C Coil -44.79 117.77 84.0 2FD8
ASG LEU A 192 178 b Bridge -58.37 124.33 6.1 2FD8
ASG LYS A 193 179 C Coil -71.70 138.28 176.5 2FD8
ASG ALA A 194 180 C Coil -67.93 145.53 76.9 2FD8
ASG GLY A 195 181 C Coil 175.82 -167.77 42.7 2FD8
ASG PHE A 196 182 C Coil -129.87 141.64 141.7 2FD8
ASG HIS A 197 183 B Bridge -135.32 131.40 30.9 2FD8
ASG PRO A 198 184 T Turn -54.83 -34.59 98.9 2FD8
ASG LEU A 199 185 T Turn -89.77 -30.10 62.3 2FD8
ASG THR A 200 186 T Turn -113.98 -1.64 9.5 2FD8
ASG ILE A 201 187 B Bridge 67.39 -77.89 87.0 2FD8
ASG ASP A 202 188 T Turn -131.74 13.55 87.0 2FD8
ASG CYS A 203 189 T Turn -131.58 178.57 6.8 2FD8
ASG ARG A 204 190 E Strand -126.61 143.87 1.8 2FD8
ASG TYR A 205 191 E Strand -119.58 147.25 22.4 2FD8
ASG ASN A 206 192 E Strand -140.39 129.01 8.2 2FD8
ASG LEU A 207 193 E Strand -109.80 125.17 0.0 2FD8
ASG THR A 208 194 E Strand -119.93 106.32 12.4 2FD8
ASG PHE A 209 195 E Strand -82.22 125.84 0.0 2FD8
ASG ARG A 210 196 E Strand -130.56 152.80 10.2 2FD8
ASG GLN A 211 197 C Coil -102.92 91.36 56.5 2FD8
ASG ALA A 212 198 C Coil -95.28 -24.13 10.1 2FD8
ASG GLY A 213 199 C Coil -72.00 360.00 70.0 2FD8