==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER APOPTOSIS/HYDROLASE 14-DEC-01 1KMC . COMPND 2 MOLECULE: CASPASE-7; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR S.J.RIEDL,G.S.SALVESEN,W.BODE . 502 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20504.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 371 73.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 68 13.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 44 8.8 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 . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.8 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 . 0 0.0 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 . 52 10.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 51 10.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 118 23.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.2 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 2 1 0 0 0 0 0 4 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 2 0 0 4 4 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 . 4 4 1 4 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 . 4 2 0 0 0 0 0 0 0 0 1 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 1 150 A T 0 0 99 0, 0.0 228,-0.1 0, 0.0 432,-0.1 0.000 360.0 360.0 360.0 -44.3 5.6 41.7 42.1 2 151 A Y - 0 0 176 1,-0.1 228,-1.8 431,-0.1 2,-0.2 -0.028 360.0-111.6 -87.7-170.7 5.4 43.9 39.0 3 152 A Q B -a 230 0A 112 226,-0.2 228,-0.2 1,-0.1 2,-0.2 -0.699 45.6 -83.9-112.9 163.6 6.6 47.2 37.7 4 153 A Y - 0 0 13 226,-2.7 2,-0.5 -2,-0.2 228,-0.2 -0.504 54.1-104.4 -68.1 139.6 4.5 50.2 36.8 5 154 A N + 0 0 100 -2,-0.2 -1,-0.1 1,-0.2 230,-0.1 -0.543 40.9 178.8 -67.5 118.4 3.2 49.9 33.2 6 155 A M + 0 0 12 -2,-0.5 2,-1.9 228,-0.1 229,-0.2 0.339 41.4 117.4-103.1 6.7 5.4 52.2 31.1 7 156 A N + 0 0 128 227,-0.1 2,-0.3 228,-0.1 -1,-0.1 -0.533 44.8 121.9 -79.8 82.8 3.7 51.4 27.8 8 156AA F S S- 0 0 54 -2,-1.9 71,-0.1 1,-0.1 70,-0.1 -0.955 76.8-105.8-139.9 158.5 2.3 54.8 26.9 9 161 A E S S+ 0 0 159 -2,-0.3 2,-0.3 1,-0.1 69,-0.2 0.874 105.6 12.6 -50.6 -41.6 2.6 57.4 24.1 10 162 A K B -b 78 0B 97 67,-2.5 69,-1.3 1,-0.1 70,-0.1 -0.939 67.6-127.2-138.2 160.0 4.8 59.5 26.4 11 162AA L - 0 0 13 38,-0.8 69,-2.5 -2,-0.3 68,-0.4 0.920 66.6-103.7 -68.9 -48.1 6.7 59.3 29.7 12 163 A G - 0 0 1 37,-0.5 39,-2.5 67,-0.2 -1,-0.3 -0.825 37.2 -55.0 145.4 177.2 5.0 62.4 31.2 13 164 A K E -c 51 0C 32 67,-0.4 69,-1.8 -2,-0.2 2,-0.3 -0.437 35.5-158.4 -83.8 159.3 5.4 66.0 32.0 14 165 A C E -cd 52 82C 0 37,-1.6 39,-1.9 67,-0.2 2,-0.6 -0.751 4.4-161.6-142.9 93.5 8.2 67.4 34.3 15 166 A I E -cd 53 83C 1 67,-2.0 69,-3.2 -2,-0.3 2,-0.6 -0.646 7.4-167.6 -77.5 117.9 7.5 70.7 35.9 16 167 A I E -cd 54 84C 0 37,-3.0 39,-3.1 -2,-0.6 2,-0.7 -0.942 3.7-162.7-109.0 122.0 10.8 72.3 37.1 17 168 A I E -cd 55 85C 0 67,-2.9 69,-2.5 -2,-0.6 2,-1.0 -0.884 4.5-168.8-106.9 105.3 10.4 75.3 39.4 18 169 A N E -cd 56 86C 4 37,-3.0 39,-2.2 -2,-0.7 2,-0.7 -0.762 5.1-177.1 -97.9 93.5 13.6 77.3 39.5 19 170 A N + 0 0 2 67,-3.0 3,-0.1 -2,-1.0 15,-0.1 -0.806 22.9 142.1 -93.1 116.1 13.4 79.9 42.3 20 171 A K + 0 0 49 -2,-0.7 11,-1.9 1,-0.3 2,-0.5 0.725 57.3 50.4-119.3 -43.2 16.5 82.1 42.5 21 172 A N - 0 0 68 9,-0.2 2,-0.3 10,-0.1 -1,-0.3 -0.905 65.4-167.1-108.2 125.1 15.5 85.6 43.4 22 173 A F - 0 0 22 -2,-0.5 76,-0.2 6,-0.3 75,-0.1 -0.849 30.6 -94.7-113.9 146.2 13.3 86.4 46.3 23 174 A D >>> - 0 0 59 74,-2.1 3,-1.4 -2,-0.3 4,-0.9 -0.186 32.5-122.1 -52.8 142.5 11.4 89.5 47.4 24 175 A K G >45S+ 0 0 190 1,-0.3 3,-1.5 2,-0.2 -1,-0.1 0.900 110.0 67.1 -53.2 -43.2 13.3 91.7 49.8 25 175AA V G 345S+ 0 0 139 1,-0.3 -1,-0.3 2,-0.1 73,-0.1 0.802 98.1 52.0 -47.4 -37.4 10.4 91.4 52.2 26 175BA T G <45S- 0 0 27 -3,-1.4 -1,-0.3 71,-0.2 -2,-0.2 0.780 96.3-145.1 -73.4 -27.7 11.1 87.7 52.7 27 175CA G T <<5 + 0 0 34 -3,-1.5 2,-0.2 -4,-0.9 -3,-0.1 0.539 47.8 144.7 74.4 4.6 14.7 88.5 53.5 28 176 A M < - 0 0 18 -5,-0.5 -6,-0.3 1,-0.1 -1,-0.3 -0.514 47.0-115.2 -78.9 145.0 15.8 85.3 51.7 29 177 A G - 0 0 10 453,-2.1 2,-0.7 -2,-0.2 -1,-0.1 -0.225 32.0 -87.0 -79.2 166.6 19.1 85.3 49.8 30 178 A V - 0 0 64 1,-0.1 2,-3.4 -9,-0.1 -9,-0.2 -0.602 38.4-134.6 -73.4 109.1 19.8 84.9 46.0 31 179 A R > - 0 0 3 -11,-1.9 3,-2.1 -2,-0.7 4,-0.3 -0.261 28.8-166.8 -66.1 66.4 20.1 81.1 45.4 32 180 A N T 3 + 0 0 82 -2,-3.4 138,-0.1 1,-0.3 136,-0.1 -0.303 69.9 32.9 -58.1 129.3 23.3 81.3 43.4 33 181 A G T 3> S+ 0 0 12 134,-0.1 4,-1.9 137,-0.1 3,-0.3 0.104 83.8 107.0 110.9 -19.8 23.9 78.1 41.5 34 182 A T H <> S+ 0 0 0 -3,-2.1 4,-3.0 1,-0.2 5,-0.2 0.820 74.9 58.5 -62.4 -30.7 20.3 77.1 41.1 35 183 A D H > S+ 0 0 75 -4,-0.3 4,-2.7 2,-0.2 -1,-0.2 0.926 104.7 50.8 -64.4 -41.1 20.5 77.9 37.4 36 184 A K H > S+ 0 0 115 -3,-0.3 4,-2.3 2,-0.2 -2,-0.2 0.933 111.4 49.4 -60.5 -43.7 23.3 75.4 37.1 37 185 A D H X S+ 0 0 4 -4,-1.9 4,-2.8 1,-0.2 5,-0.2 0.958 111.0 47.8 -59.0 -53.1 21.0 72.9 38.8 38 186 A A H X S+ 0 0 7 -4,-3.0 4,-3.4 1,-0.2 5,-0.2 0.901 110.9 51.2 -56.3 -44.0 18.0 73.6 36.6 39 187 A E H X S+ 0 0 99 -4,-2.7 4,-2.1 1,-0.2 -1,-0.2 0.947 113.3 45.0 -59.9 -47.0 20.1 73.3 33.4 40 188 A A H X S+ 0 0 30 -4,-2.3 4,-2.2 -5,-0.2 -2,-0.2 0.882 116.5 45.0 -64.5 -41.3 21.5 69.9 34.6 41 189 A L H X S+ 0 0 2 -4,-2.8 4,-2.9 2,-0.2 5,-0.4 0.951 109.0 56.8 -67.6 -48.6 18.2 68.6 35.7 42 190 A F H X S+ 0 0 49 -4,-3.4 4,-1.6 -5,-0.2 -2,-0.2 0.901 111.4 43.0 -48.0 -49.1 16.5 69.9 32.5 43 191 A K H X S+ 0 0 95 -4,-2.1 4,-3.0 -5,-0.2 -1,-0.2 0.939 113.3 51.5 -66.2 -47.1 18.9 67.9 30.4 44 192 A C H X S+ 0 0 9 -4,-2.2 4,-1.7 1,-0.2 -2,-0.2 0.944 114.1 41.9 -55.0 -53.8 18.7 64.7 32.5 45 193 A F H X>S+ 0 0 0 -4,-2.9 5,-2.6 2,-0.2 4,-0.7 0.804 112.1 55.2 -67.4 -27.8 14.9 64.5 32.6 46 194 A R H ><5S+ 0 0 139 -4,-1.6 3,-1.9 -5,-0.4 -1,-0.2 0.971 108.6 49.0 -66.2 -50.0 14.7 65.4 28.9 47 195 A S H 3<5S+ 0 0 78 -4,-3.0 -2,-0.2 1,-0.3 -1,-0.2 0.833 104.1 60.0 -55.8 -34.6 17.1 62.4 28.2 48 196 A L H 3<5S- 0 0 15 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.760 126.1-103.9 -66.3 -22.0 14.8 60.3 30.4 49 197 A G T <<5S+ 0 0 38 -3,-1.9 -38,-0.8 -4,-0.7 -37,-0.5 0.555 73.2 141.5 108.9 11.8 12.1 61.1 27.9 50 198 A F < - 0 0 7 -5,-2.6 2,-1.2 -39,-0.2 -1,-0.3 -0.472 58.8-120.5 -82.4 156.6 10.1 63.7 30.0 51 199 A D E -c 13 0C 84 -39,-2.5 -37,-1.6 -2,-0.1 2,-0.1 -0.795 43.5-157.1 -95.3 89.8 8.5 66.8 28.4 52 200 A V E +c 14 0C 26 -2,-1.2 2,-0.3 -39,-0.2 -37,-0.2 -0.397 19.7 178.1 -75.2 146.3 10.4 69.2 30.6 53 201 A I E -c 15 0C 60 -39,-1.9 -37,-3.0 -2,-0.1 2,-0.5 -0.983 13.5-152.3-144.7 131.8 9.3 72.8 31.3 54 202 A V E -c 16 0C 52 -2,-0.3 2,-0.3 -39,-0.2 -37,-0.2 -0.934 9.0-172.9-116.3 126.6 11.1 75.3 33.5 55 203 A Y E -c 17 0C 58 -39,-3.1 -37,-3.0 -2,-0.5 2,-0.3 -0.773 14.8-148.2-106.6 155.7 9.4 78.1 35.4 56 204 A N E -c 18 0C 90 -2,-0.3 -37,-0.2 1,-0.2 -39,-0.0 -0.966 58.5 -6.8-135.0 148.5 11.4 80.8 37.2 57 205 A D S S- 0 0 42 -39,-2.2 2,-0.3 -2,-0.3 -1,-0.2 0.900 80.1-175.2 38.5 63.5 11.1 83.0 40.3 58 206 A C - 0 0 7 -3,-0.1 39,-2.6 39,-0.1 -1,-0.2 -0.673 21.5-130.5 -93.5 143.9 7.5 81.9 41.0 59 207 A S > - 0 0 34 -2,-0.3 4,-2.8 37,-0.3 5,-0.2 -0.424 34.2-103.3 -81.3 162.3 5.3 83.3 43.7 60 208 A C H > S+ 0 0 16 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.850 125.2 53.3 -56.0 -31.1 3.4 80.9 46.0 61 209 A A H > S+ 0 0 66 2,-0.2 4,-3.0 1,-0.2 -1,-0.2 0.935 108.4 46.9 -70.0 -46.8 0.4 81.7 43.9 62 210 A K H > S+ 0 0 89 2,-0.2 4,-4.1 1,-0.2 -2,-0.2 0.950 113.0 49.8 -59.4 -49.7 2.0 80.9 40.6 63 211 A M H X S+ 0 0 1 -4,-2.8 4,-2.4 1,-0.2 5,-0.2 0.923 114.0 44.4 -56.0 -48.4 3.4 77.6 42.0 64 212 A Q H X S+ 0 0 38 -4,-2.2 4,-2.4 -5,-0.2 -1,-0.2 0.938 117.7 44.9 -62.6 -46.2 0.0 76.6 43.4 65 213 A D H X S+ 0 0 50 -4,-3.0 4,-3.4 2,-0.2 5,-0.3 0.965 110.9 54.8 -60.0 -53.3 -1.7 77.6 40.2 66 214 A L H X S+ 0 0 20 -4,-4.1 4,-2.5 1,-0.2 -2,-0.2 0.922 114.0 39.0 -43.4 -60.2 0.9 75.9 38.0 67 215 A L H X S+ 0 0 0 -4,-2.4 4,-2.3 2,-0.2 -1,-0.2 0.862 114.5 54.1 -65.5 -36.4 0.6 72.6 39.7 68 216 A K H X S+ 0 0 83 -4,-2.4 4,-0.7 -5,-0.2 -2,-0.2 0.957 110.6 46.1 -62.7 -49.4 -3.2 72.8 40.0 69 217 A K H >X S+ 0 0 95 -4,-3.4 3,-1.8 1,-0.2 4,-0.6 0.950 111.2 53.0 -56.1 -50.6 -3.6 73.5 36.3 70 218 A A H >< S+ 0 0 0 -4,-2.5 3,-1.5 -5,-0.3 -1,-0.2 0.890 104.2 55.5 -52.9 -43.2 -1.2 70.6 35.5 71 219 A S H 3< S+ 0 0 9 -4,-2.3 -1,-0.3 1,-0.3 46,-0.2 0.675 105.7 54.3 -65.5 -15.8 -3.3 68.2 37.6 72 220 A E H << S+ 0 0 113 -3,-1.8 -1,-0.3 -4,-0.7 -2,-0.2 0.518 88.5 96.7 -96.3 -6.8 -6.2 69.2 35.5 73 221 A E S << S- 0 0 90 -3,-1.5 2,-0.9 -4,-0.6 44,-0.2 -0.286 89.3 -96.3 -74.8 169.2 -4.5 68.3 32.2 74 222 A D + 0 0 113 1,-0.1 3,-0.4 42,-0.0 -1,-0.1 -0.793 40.7 173.7 -96.1 106.4 -5.2 64.9 30.6 75 224 A H > + 0 0 9 -2,-0.9 3,-2.9 1,-0.2 -1,-0.1 0.265 41.1 119.4 -91.8 10.7 -2.4 62.5 31.5 76 225 A T T 3 S+ 0 0 73 1,-0.3 -1,-0.2 -68,-0.0 -2,-0.0 0.797 79.8 41.3 -46.1 -39.6 -4.1 59.5 29.9 77 226 A N T 3 S+ 0 0 79 -3,-0.4 -67,-2.5 -69,-0.1 2,-0.3 0.246 99.9 96.1 -97.5 15.7 -1.3 58.9 27.5 78 227 A A B < -b 10 0B 4 -3,-2.9 -67,-0.2 39,-0.2 -66,-0.2 -0.801 63.0-150.6-106.7 146.2 1.4 59.5 30.1 79 228 A A S S- 0 0 2 -69,-1.3 2,-0.3 -68,-0.4 -67,-0.2 0.807 75.0 -28.8 -82.1 -32.5 3.2 56.9 32.1 80 229 A C - 0 0 0 -69,-2.5 -67,-0.4 41,-0.2 2,-0.3 -0.928 60.2-109.2-165.3-174.5 3.8 59.2 35.1 81 230 A F E - e 0 123C 0 41,-2.2 43,-3.0 -2,-0.3 2,-0.4 -0.970 21.4-165.1-133.8 148.5 4.4 62.8 36.3 82 231 A A E +de 14 124C 0 -69,-1.8 -67,-2.0 -2,-0.3 2,-0.4 -0.992 7.0 179.4-141.0 135.0 7.4 64.6 37.6 83 232 A C E -de 15 125C 0 41,-2.4 43,-2.7 -2,-0.4 2,-0.4 -0.996 8.3-163.9-132.3 136.1 7.8 67.9 39.5 84 233 A I E -de 16 126C 2 -69,-3.2 -67,-2.9 -2,-0.4 2,-0.6 -0.983 3.8-159.8-123.3 129.5 11.1 69.4 40.7 85 234 A L E +de 17 127C 1 41,-3.0 43,-3.1 -2,-0.4 2,-0.6 -0.940 10.5 178.2-114.1 119.1 11.3 72.2 43.3 86 235 A L E +de 18 128C 1 -69,-2.5 -67,-3.0 -2,-0.6 2,-0.3 -0.908 40.6 88.8-119.5 101.4 14.4 74.3 43.5 87 236 A S S S- 0 0 2 41,-1.8 43,-0.3 -2,-0.6 2,-0.2 -0.909 78.0 -58.3-167.0-170.5 14.1 77.0 46.1 88 237 A H + 0 0 12 -2,-0.3 7,-3.1 7,-0.2 2,-0.3 -0.503 59.4 175.3 -80.8 159.3 14.5 78.1 49.8 89 238 A G E -N 94 0D 9 5,-0.3 43,-0.4 -2,-0.2 2,-0.3 -0.985 27.3-160.4-160.9 170.0 12.6 76.0 52.3 90 239 A E E > -N 93 0D 79 3,-2.0 3,-3.1 -2,-0.3 42,-0.2 -0.948 60.4 -51.0-149.1 158.3 11.7 75.2 55.9 91 240 A E T 3 S- 0 0 100 -2,-0.3 40,-0.1 1,-0.3 41,-0.1 -0.017 125.1 -9.6 -39.8 122.6 10.2 72.1 57.4 92 241 A N T 3 S+ 0 0 105 1,-0.1 11,-2.1 10,-0.1 12,-0.6 0.323 124.8 85.8 69.7 -6.2 7.0 71.2 55.5 93 242 A V E < -NO 90 102D 20 -3,-3.1 -3,-2.0 9,-0.3 2,-0.3 -0.865 57.5-158.3-126.9 158.6 7.1 74.4 53.6 94 243 A I E -NO 89 101D 1 7,-2.8 7,-2.6 -2,-0.3 2,-0.4 -0.976 24.8-109.2-134.5 149.3 8.8 75.8 50.5 95 244 A Y E - 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