==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=11-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER DNA BINDING PROTEIN 28-AUG-03 1QVP . COMPND 2 MOLECULE: DIPHTHERIA TOXIN REPRESSOR; . SOURCE 2 ORGANISM_SCIENTIFIC: CORYNEBACTERIUM DIPHTHERIAE; . AUTHOR G.P.WYLIE,V.RANGACHARI,E.A.BIENKIEWICZ,V.MARIN, . 87 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6795.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 48 55.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 20 23.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 1.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 2.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 1 1.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 16 18.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 4 4.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 4 4.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 1 0 3 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 140 A G 0 0 138 0, 0.0 2,-0.6 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 62.4 109.8 2.2 -10.8 2 141 A S - 0 0 118 1,-0.0 2,-0.6 0, 0.0 0, 0.0 -0.760 360.0-146.2 -89.6 121.1 111.0 4.1 -7.8 3 142 A H - 0 0 138 -2,-0.6 3,-0.2 1,-0.2 -1,-0.0 -0.771 12.3-171.3 -90.3 118.6 111.8 1.9 -4.8 4 143 A M + 0 0 168 -2,-0.6 2,-3.1 1,-0.2 3,-0.5 0.995 26.4 148.6 -68.9 -76.0 111.0 3.5 -1.4 5 144 A D - 0 0 85 1,-0.2 -1,-0.2 2,-0.1 -2,-0.0 -0.267 52.7-134.8 72.2 -56.9 112.6 1.1 1.1 6 145 A A S S+ 0 0 101 -2,-3.1 -1,-0.2 -3,-0.2 -2,-0.1 0.713 89.9 61.8 78.0 21.8 113.3 4.1 3.5 7 146 A A S S- 0 0 72 -3,-0.5 -2,-0.1 3,-0.0 -3,-0.0 -0.150 122.4 -47.4-174.1 63.3 116.8 2.7 4.1 8 147 A A - 0 0 29 -4,-0.1 -4,-0.0 1,-0.1 73,-0.0 0.816 47.3-141.0 67.5 112.6 119.0 2.6 1.0 9 148 A P S S+ 0 0 68 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.887 81.0 70.4 -69.9 -40.7 117.4 1.0 -2.1 10 149 A G S S- 0 0 17 1,-0.1 75,-0.2 75,-0.0 -3,-0.0 -0.051 98.5 -78.7 -70.0 177.6 120.6 -0.8 -3.1 11 150 A T B -A 84 0A 81 73,-1.3 73,-0.8 1,-0.1 2,-0.2 -0.064 50.6 -99.7 -69.7 176.6 122.2 -3.8 -1.4 12 151 A R > - 0 0 156 71,-0.1 4,-1.1 1,-0.1 -1,-0.1 -0.638 12.1-131.9-100.1 158.9 124.3 -3.5 1.8 13 152 A V T 4 S+ 0 0 10 68,-0.5 -1,-0.1 69,-0.3 69,-0.1 0.574 111.1 43.7 -83.2 -10.2 128.0 -3.6 2.1 14 153 A I T 4 S+ 0 0 45 3,-0.1 -1,-0.2 2,-0.1 4,-0.2 0.466 116.0 45.9-110.0 -7.6 127.8 -6.1 4.9 15 154 A D T 4 S+ 0 0 91 2,-0.1 4,-0.3 3,-0.1 -2,-0.2 0.575 115.6 44.1-108.1 -17.2 125.2 -8.3 3.2 16 155 A A S < S+ 0 0 24 -4,-1.1 6,-0.4 2,-0.1 40,-0.2 0.360 115.4 47.9-107.5 1.9 126.8 -8.5 -0.2 17 156 A A S S+ 0 0 4 4,-0.1 41,-0.6 40,-0.1 -3,-0.1 0.607 95.4 71.8-111.0 -23.9 130.3 -9.1 1.1 18 157 A T S S+ 0 0 92 -4,-0.2 -2,-0.1 2,-0.1 -3,-0.1 0.876 107.3 32.2 -59.7 -41.3 129.5 -11.8 3.5 19 158 A S S S- 0 0 80 -4,-0.3 39,-0.2 1,-0.3 3,-0.1 -0.013 124.1 -14.4 -98.3-155.4 128.8 -14.2 0.6 20 159 A M S S- 0 0 137 1,-0.1 -1,-0.3 -2,-0.0 2,-0.2 -0.213 78.1-119.7 -48.2 120.6 130.4 -14.6 -2.9 21 160 A P + 0 0 66 0, 0.0 2,-0.3 0, 0.0 -4,-0.1 -0.444 41.9 170.3 -68.7 133.8 132.3 -11.3 -3.5 22 161 A R - 0 0 146 -6,-0.4 34,-0.8 -2,-0.2 2,-0.7 -0.867 42.6 -80.3-138.3 171.1 131.1 -9.3 -6.5 23 162 A K E -B 55 0A 111 -2,-0.3 2,-0.5 32,-0.2 32,-0.2 -0.654 47.4-169.7 -78.9 111.4 131.6 -5.9 -8.1 24 163 A V E -B 54 0A 12 30,-2.5 30,-1.8 -2,-0.7 2,-0.4 -0.887 12.9-141.5-107.0 130.5 129.5 -3.3 -6.3 25 164 A R E -BC 53 85A 100 60,-1.6 60,-1.0 -2,-0.5 2,-0.4 -0.764 13.4-141.5 -92.7 130.4 129.0 0.2 -7.6 26 165 A I E + C 0 84A 21 26,-1.4 25,-0.7 -2,-0.4 58,-0.2 -0.744 27.6 166.5 -93.3 135.7 128.9 3.1 -5.1 27 166 A V E + 0 0 73 56,-1.0 2,-0.3 1,-0.4 -1,-0.1 0.520 69.2 5.4-120.0 -16.2 126.4 5.9 -5.6 28 167 A Q E - C 0 83A 89 55,-0.7 55,-1.2 49,-0.1 -1,-0.4 -0.960 64.1-132.2-167.4 150.0 126.7 7.6 -2.1 29 168 A I - 0 0 73 -2,-0.3 2,-0.3 53,-0.2 3,-0.1 -0.370 20.4-170.1 -98.8-179.9 128.6 7.4 1.1 30 169 A N + 0 0 65 1,-0.3 47,-1.0 50,-0.2 50,-0.1 -0.975 44.4 52.7-162.4 169.3 127.4 7.4 4.8 31 170 A E + 0 0 97 -2,-0.3 46,-0.3 45,-0.1 -1,-0.3 0.878 55.7 128.7 60.8 107.0 128.5 7.6 8.4 32 171 A I + 0 0 112 -3,-0.1 2,-1.9 44,-0.1 3,-0.1 0.269 2.4 142.8-146.6 -76.6 130.7 10.7 9.1 33 172 A F S S- 0 0 189 1,-0.2 -2,-0.0 2,-0.0 0, 0.0 -0.356 92.6 -29.2 60.0 -84.3 129.8 13.0 11.9 34 173 A Q S S+ 0 0 141 -2,-1.9 2,-0.6 0, 0.0 -1,-0.2 -0.364 77.0 158.1-165.0 74.0 133.4 13.8 12.9 35 174 A V + 0 0 54 -3,-0.1 -2,-0.0 1,-0.1 0, 0.0 -0.903 5.4 163.2-109.1 111.2 136.0 11.0 12.2 36 175 A E + 0 0 186 -2,-0.6 -1,-0.1 3,-0.1 2,-0.0 -0.169 40.8 115.0-116.3 37.6 139.6 12.1 12.0 37 176 A T S > S- 0 0 78 1,-0.0 3,-1.7 4,-0.0 -2,-0.0 -0.004 92.1 -66.3 -89.8-161.8 141.2 8.7 12.4 38 177 A D G >> S+ 0 0 107 1,-0.3 3,-1.5 2,-0.1 4,-0.9 0.685 115.5 90.6 -62.7 -17.1 143.3 6.7 9.9 39 178 A Q G 34 S+ 0 0 16 1,-0.3 4,-0.5 2,-0.2 -1,-0.3 0.811 87.3 49.7 -48.5 -32.4 140.1 6.4 7.9 40 179 A F G <4 S+ 0 0 140 -3,-1.7 -1,-0.3 1,-0.1 -2,-0.1 -0.309 103.8 63.2-104.1 47.9 141.3 9.6 6.1 41 180 A T T <> S+ 0 0 69 -3,-1.5 4,-0.8 -2,-0.2 3,-0.3 0.571 103.6 32.7-130.1 -62.0 144.8 8.3 5.4 42 181 A Q H X S+ 0 0 101 -4,-0.9 4,-1.5 1,-0.2 3,-0.2 0.827 117.1 57.4 -71.7 -32.5 144.9 5.3 3.1 43 182 A L H 4 S+ 0 0 24 -4,-0.5 5,-0.5 -5,-0.4 -1,-0.2 0.713 93.3 72.2 -70.5 -20.3 141.9 6.6 1.2 44 183 A L H 4 S+ 0 0 93 -3,-0.3 -1,-0.2 1,-0.2 -2,-0.2 0.964 104.8 34.6 -59.0 -55.6 143.7 9.8 0.5 45 184 A D H < S+ 0 0 126 -4,-0.8 2,-1.2 -3,-0.2 -1,-0.2 0.887 107.5 75.8 -67.3 -40.1 146.1 8.2 -2.1 46 185 A A S < S- 0 0 15 -4,-1.5 2,-3.1 1,-0.1 -1,-0.1 -0.624 76.2-152.3 -78.1 97.7 143.4 5.8 -3.3 47 186 A D + 0 0 151 -2,-1.2 2,-0.7 1,-0.1 -1,-0.1 -0.364 39.9 149.2 -70.1 68.8 141.2 8.0 -5.4 48 187 A I + 0 0 32 -2,-3.1 2,-0.2 -5,-0.5 -2,-0.1 -0.840 14.8 157.9-110.3 96.0 138.1 5.9 -4.8 49 188 A R > - 0 0 219 -2,-0.7 3,-1.0 1,-0.1 2,-0.3 -0.554 51.9 -67.1-109.5 175.9 134.9 8.0 -4.8 50 189 A V T 3 S+ 0 0 68 1,-0.2 -23,-0.2 -2,-0.2 3,-0.1 -0.475 110.3 54.3 -66.8 122.9 131.3 7.2 -5.4 51 190 A G T 3 S+ 0 0 39 -25,-0.7 -1,-0.2 1,-0.6 2,-0.2 -0.119 85.3 80.2 148.5 -44.0 130.7 6.1 -9.0 52 191 A S < - 0 0 64 -3,-1.0 -26,-1.4 -27,-0.1 -1,-0.6 -0.580 69.2-129.2 -92.9 156.7 133.0 3.2 -9.7 53 192 A E E +B 25 0A 65 -28,-0.2 2,-0.3 -2,-0.2 -28,-0.3 -0.751 27.4 172.2-105.7 153.0 132.5 -0.4 -8.7 54 193 A V E -B 24 0A 8 -30,-1.8 -30,-2.5 -2,-0.3 2,-0.5 -0.985 34.9-102.7-154.7 159.7 134.9 -2.7 -6.9 55 194 A E E -BD 23 66A 88 11,-1.1 11,-2.6 -2,-0.3 -32,-0.2 -0.764 35.2-145.2 -91.1 125.8 135.0 -6.2 -5.3 56 195 A I E - D 0 65A 12 -34,-0.8 2,-0.4 -2,-0.5 9,-0.2 -0.489 0.7-145.3 -87.1 158.5 134.9 -6.2 -1.5 57 196 A V E - D 0 64A 55 7,-2.9 7,-1.8 -2,-0.2 2,-1.1 -0.816 6.3-156.2-128.6 92.1 136.7 -8.7 0.8 58 197 A D E - D 0 63A 70 -41,-0.6 2,-0.3 -2,-0.4 5,-0.2 -0.532 23.1-176.7 -70.2 98.2 134.8 -9.7 3.9 59 198 A R - 0 0 158 3,-2.0 2,-2.2 -2,-1.1 3,-0.3 -0.679 40.2 -96.9 -98.5 152.8 137.6 -10.8 6.2 60 199 A D S S+ 0 0 175 -2,-0.3 3,-0.1 1,-0.2 -1,-0.1 -0.431 116.8 3.9 -68.0 80.8 137.2 -12.2 9.7 61 200 A G S S+ 0 0 65 -2,-2.2 2,-0.3 1,-0.3 -1,-0.2 -0.032 133.3 32.5 133.7 -32.1 137.7 -8.9 11.6 62 201 A H - 0 0 106 -3,-0.3 -3,-2.0 -5,-0.1 2,-0.4 -0.874 66.6-126.9-144.4 175.9 138.1 -6.4 8.7 63 202 A I E -D 58 0A 23 -2,-0.3 11,-0.4 -5,-0.2 -5,-0.2 -0.899 23.1-167.8-135.9 105.9 136.9 -5.6 5.2 64 203 A T E -D 57 0A 28 -7,-1.8 -7,-2.9 -2,-0.4 2,-0.4 -0.497 9.9-142.9 -89.2 160.4 139.4 -5.0 2.4 65 204 A L E -DE 56 72A 8 7,-0.6 7,-1.0 -9,-0.2 2,-0.6 -0.985 2.0-148.2-128.5 135.6 138.6 -3.6 -1.0 66 205 A S E +DE 55 71A 45 -11,-2.6 -11,-1.1 -2,-0.4 2,-0.5 -0.898 16.8 175.9-106.1 120.7 140.1 -4.5 -4.4 67 206 A H E > - E 0 70A 57 3,-2.6 2,-2.8 -2,-0.6 3,-1.4 -0.821 64.4 -69.7-126.8 92.2 140.3 -1.8 -7.0 68 207 A N T 3 S- 0 0 179 -2,-0.5 3,-0.1 1,-0.3 -2,-0.0 -0.347 117.8 -20.7 63.6 -75.3 142.1 -2.9 -10.2 69 208 A G T 3 S+ 0 0 63 -2,-2.8 -1,-0.3 1,-0.1 2,-0.1 0.595 124.7 72.3-131.5 -38.0 145.5 -3.1 -8.5 70 209 A K E < -E 67 0A 149 -3,-1.4 -3,-2.6 -4,-0.1 2,-0.4 -0.470 61.6-156.4 -84.1 156.8 145.4 -1.0 -5.4 71 210 A D E -E 66 0A 82 -5,-0.2 2,-0.4 -2,-0.1 -5,-0.2 -0.998 6.3-166.3-137.7 139.3 143.5 -2.0 -2.2 72 211 A V E -E 65 0A 5 -7,-1.0 -7,-0.6 -2,-0.4 2,-0.5 -0.989 3.3-175.3-129.4 128.8 142.2 0.1 0.7 73 212 A E + 0 0 59 -2,-0.4 2,-0.3 -9,-0.2 -9,-0.2 -0.903 32.1 119.4-126.8 103.5 140.9 -1.2 4.0 74 213 A L - 0 0 22 4,-0.5 2,-0.1 -2,-0.5 -11,-0.1 -0.917 58.6 -84.1-151.2 174.8 139.4 1.3 6.4 75 214 A L S S+ 0 0 96 -2,-0.3 3,-0.3 4,-0.1 4,-0.1 -0.434 86.7 14.4 -84.4 160.8 136.3 2.2 8.3 76 215 A D S S+ 0 0 26 1,-0.2 2,-2.3 -2,-0.1 -2,-0.2 0.237 112.4 39.0 60.5 167.7 133.3 4.2 6.9 77 216 A D S S+ 0 0 46 -47,-1.0 2,-0.7 -46,-0.3 -1,-0.2 -0.344 129.1 29.4 60.6 -80.6 132.9 4.9 3.2 78 217 A L S S+ 0 0 19 -2,-2.3 -4,-0.5 -3,-0.3 -1,-0.2 -0.633 122.3 45.2-110.0 72.5 134.0 1.4 2.1 79 218 A A S S+ 0 0 6 -2,-0.7 2,-0.3 1,-0.4 -4,-0.1 0.015 106.2 16.6-164.7 -75.5 133.1 -0.8 5.0 80 219 A H S S- 0 0 102 -50,-0.1 -1,-0.4 -49,-0.1 -50,-0.2 -0.768 108.7 -8.7-116.9 163.0 129.6 -0.4 6.6 81 220 A T S S+ 0 0 55 -2,-0.3 -68,-0.5 -3,-0.1 -2,-0.1 -0.171 74.8 124.6 52.3-142.7 126.4 1.2 5.5 82 221 A I - 0 0 9 -70,-0.1 -69,-0.3 -53,-0.1 2,-0.3 0.508 66.1 -90.6 65.0 142.7 126.7 3.2 2.3 83 222 A R E - C 0 28A 69 -55,-1.2 -56,-1.0 -71,-0.1 -55,-0.7 -0.628 40.1-179.7 -87.9 144.4 124.5 2.6 -0.7 84 223 A I E +AC 11 26A 3 -73,-0.8 -73,-1.3 -2,-0.3 -58,-0.2 -0.811 9.4 162.3-148.8 102.7 125.6 0.2 -3.5 85 224 A E E + C 0 25A 115 -60,-1.0 -60,-1.6 -2,-0.3 -75,-0.0 -0.239 37.9 51.3-104.4-165.5 123.5 -0.5 -6.6 86 225 A E 0 0 89 1,-0.2 -2,-0.0 -62,-0.1 0, 0.0 -0.142 360.0 360.0 68.1-168.3 124.2 -2.0 -10.0 87 226 A L 0 0 107 -63,-0.1 -1,-0.2 -34,-0.0 -64,-0.1 0.638 360.0 360.0 -53.2 360.0 125.9 -5.3 -10.5