==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/HYDROLASE INHIBITOR 10-JUL-99 1QDU . COMPND 2 MOLECULE: CASPASE-8 ALPHA-CHAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR H.BLANCHARD,M.G.GRUTTER . 1464 18 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 58482.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1039 71.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 180 12.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 159 10.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 6 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 12 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 0.4 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 . 97 6.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 174 11.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 325 22.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 22 1.5 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 0 10 2 0 0 0 0 0 0 20 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 9 3 3 0 9 12 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 . 18 15 12 6 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 . 15 9 0 0 0 0 0 0 0 0 3 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 1 149 A L 0 0 212 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 141.6 18.0 48.8 67.0 2 150 A D - 0 0 52 236,-0.0 235,-0.1 455,-0.0 455,-0.0 -0.858 360.0 -55.3 173.3 161.7 17.6 46.4 70.0 3 151 A K - 0 0 108 -2,-0.3 235,-2.6 233,-0.1 2,-0.4 -0.213 51.4-168.1 -59.5 138.2 18.9 43.0 71.0 4 152 A V B -a 238 0A 45 233,-0.2 2,-0.3 396,-0.1 235,-0.2 -0.961 28.8-104.2-129.5 146.5 18.5 40.0 68.6 5 153 A Y - 0 0 7 233,-2.6 235,-0.4 -2,-0.4 2,-0.2 -0.508 45.9-108.8 -67.8 127.0 19.0 36.3 69.0 6 154 A Q + 0 0 123 -2,-0.3 -1,-0.1 1,-0.1 3,-0.1 -0.386 40.6 175.0 -59.6 124.4 22.3 35.3 67.4 7 155 A M + 0 0 14 -2,-0.2 -1,-0.1 1,-0.1 -2,-0.0 -0.489 41.1 108.7-132.6 63.2 21.6 33.3 64.2 8 156 A K + 0 0 172 4,-0.1 -1,-0.1 -2,-0.1 -2,-0.0 0.785 40.5 123.2-103.9 -41.8 25.0 32.7 62.7 9 157 A S - 0 0 18 3,-0.2 77,-0.1 -3,-0.1 4,-0.1 0.354 66.9-117.9 -24.4 147.4 25.6 28.9 63.2 10 160 A K S S+ 0 0 188 75,-0.2 76,-0.1 1,-0.2 3,-0.1 0.982 114.1 15.5 -60.3 -64.5 26.3 26.6 60.3 11 161 A P S S- 0 0 34 0, 0.0 2,-2.3 0, 0.0 48,-0.4 0.620 94.3-148.5 -86.6 -6.9 23.3 24.3 60.6 12 162 A R - 0 0 23 73,-0.3 75,-3.4 46,-0.2 76,-1.9 -0.209 58.7 -55.9 73.1 -46.2 21.7 26.9 62.8 13 163 A G - 0 0 0 -2,-2.3 46,-2.1 44,-0.3 76,-0.2 -0.851 69.0 -63.6 157.2 171.9 19.9 24.1 64.6 14 164 A Y E -b 59 0B 38 74,-0.4 76,-2.5 -2,-0.2 2,-0.4 -0.428 32.1-155.5 -81.1 157.2 17.6 21.2 64.1 15 165 A C E -bc 60 90B 0 44,-1.7 46,-1.7 74,-0.2 76,-0.2 -0.775 13.5-156.1-134.0 88.8 14.0 21.5 62.8 16 166 A L E -bc 61 91B 0 74,-2.0 76,-2.7 -2,-0.4 2,-0.3 -0.293 7.2-168.3 -62.9 149.6 11.9 18.6 63.8 17 167 A I E -bc 62 92B 0 44,-1.5 46,-1.6 74,-0.2 2,-0.9 -0.677 4.3-174.7-142.2 82.9 8.9 17.8 61.7 18 168 A I E -bc 63 93B 0 74,-2.7 76,-2.4 -2,-0.3 2,-0.7 -0.723 14.0-174.9 -80.7 109.5 6.6 15.3 63.4 19 169 A N E -bc 64 94B 10 44,-2.7 46,-1.8 -2,-0.9 2,-0.3 -0.847 6.1-166.7-115.3 99.0 4.0 14.7 60.6 20 170 A N + 0 0 0 74,-2.8 22,-0.1 -2,-0.7 3,-0.1 -0.636 26.6 140.9 -86.3 136.3 1.1 12.5 61.5 21 171 A H + 0 0 46 -2,-0.3 18,-1.6 1,-0.2 2,-1.0 0.545 51.2 68.4-137.2 -55.1 -1.2 11.2 58.7 22 172 A N + 0 0 74 16,-0.2 3,-0.4 1,-0.1 -1,-0.2 -0.652 48.8 172.1 -81.3 103.4 -2.5 7.6 59.0 23 173 A F > + 0 0 2 -2,-1.0 4,-2.0 1,-0.2 -1,-0.1 0.070 38.8 117.6-100.5 28.8 -4.8 7.6 62.0 24 174 A A H > S+ 0 0 30 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.741 72.7 58.3 -64.1 -25.2 -6.1 4.0 61.6 25 175 A K H > S+ 0 0 91 80,-0.7 4,-3.0 -3,-0.4 81,-0.2 0.987 105.6 47.3 -66.9 -58.9 -4.6 3.0 65.0 26 175AA A H 4 S+ 0 0 0 79,-1.0 7,-0.3 1,-0.3 -2,-0.2 0.918 110.6 53.7 -44.1 -53.9 -6.7 5.6 66.8 27 175BA R H < S+ 0 0 62 -4,-2.0 -1,-0.3 1,-0.2 -2,-0.2 0.910 113.9 42.1 -49.3 -49.5 -9.7 4.5 64.9 28 175CA E H < S+ 0 0 137 -4,-1.9 -2,-0.2 -3,-0.2 -1,-0.2 0.984 126.8 29.6 -62.2 -61.0 -9.1 0.9 66.0 29 175DA K S < S+ 0 0 130 -4,-3.0 -3,-0.2 77,-0.1 78,-0.1 0.936 107.4 58.0 -63.5-100.4 -8.2 1.7 69.6 30 175EA V > - 0 0 29 76,-0.5 3,-0.7 1,-0.1 4,-0.0 -0.019 67.3-153.9 -38.4 121.4 -9.8 4.8 71.1 31 175FA P G > S+ 0 0 113 0, 0.0 3,-3.1 0, 0.0 4,-0.1 0.987 90.6 56.0 -65.9 -58.4 -13.6 4.4 70.8 32 175GA K G 3 S+ 0 0 158 1,-0.3 3,-0.2 2,-0.1 -2,-0.1 0.490 106.3 54.6 -54.9 -2.5 -14.6 8.1 70.7 33 175HA L G X + 0 0 16 -3,-0.7 3,-2.6 -7,-0.3 -1,-0.3 0.306 64.3 126.3-113.2 6.8 -12.3 8.4 67.7 34 175IA H T < S+ 0 0 151 -3,-3.1 -1,-0.1 1,-0.3 -2,-0.1 0.686 83.5 35.7 -38.2 -23.4 -13.9 5.7 65.6 35 175JA S T 3 S+ 0 0 101 -3,-0.2 -1,-0.3 -4,-0.1 2,-0.1 0.325 73.4 137.3-121.7 12.2 -14.2 8.3 62.8 36 176 A I < - 0 0 32 -3,-2.6 -9,-0.1 -13,-0.1 -13,-0.1 -0.397 52.7-127.6 -59.3 126.8 -11.2 10.7 62.8 37 177 A R - 0 0 171 -2,-0.1 2,-0.1 1,-0.1 -1,-0.1 -0.333 22.8-100.5 -75.0 156.7 -10.2 11.2 59.2 38 178 A D - 0 0 46 1,-0.1 2,-1.8 -16,-0.1 -16,-0.2 -0.497 43.0-107.9 -70.9 151.0 -6.7 10.6 58.0 39 179 A R > - 0 0 0 -18,-1.6 3,-1.7 -2,-0.1 4,-0.3 -0.453 43.2-174.4 -84.2 68.9 -4.9 14.0 57.7 40 180 A N T 3 + 0 0 69 -2,-1.8 141,-0.1 1,-0.2 143,-0.1 -0.406 67.4 39.7 -64.1 136.7 -4.8 14.3 53.9 41 181 A G T >> S+ 0 0 0 139,-0.1 4,-0.9 140,-0.1 3,-0.7 0.036 79.9 104.4 114.0 -25.6 -2.8 17.3 52.9 42 182 A T H X> + 0 0 0 -3,-1.7 4,-3.0 1,-0.2 3,-0.9 0.876 68.4 69.8 -56.1 -44.0 0.0 17.2 55.5 43 183 A H H 3> S+ 0 0 95 1,-0.3 4,-2.9 -4,-0.3 -1,-0.2 0.913 101.7 48.9 -36.3 -53.5 2.5 15.9 53.0 44 184 A L H <> S+ 0 0 61 -3,-0.7 4,-2.6 1,-0.2 -1,-0.3 0.845 109.5 50.7 -55.7 -40.4 2.2 19.4 51.6 45 185 A D H X S+ 0 0 50 -4,-2.6 4,-2.9 1,-0.2 3,-1.2 0.982 114.6 49.6 -55.4 -66.7 12.0 23.7 52.0 52 192 A T H 3< S+ 0 0 5 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.799 118.0 40.8 -46.4 -35.5 11.4 27.0 53.8 53 193 A F H 3<>S+ 0 0 0 -4,-2.5 5,-1.8 -5,-0.3 -1,-0.3 0.700 111.8 55.9 -90.1 -16.2 13.4 26.0 56.8 54 194 A E H X<5S+ 0 0 105 -4,-1.4 3,-3.3 -3,-1.2 4,-0.3 0.974 106.0 50.8 -71.7 -57.2 16.1 24.3 54.6 55 195 A E T 3<5S+ 0 0 109 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.652 104.7 59.8 -52.7 -17.5 16.6 27.6 52.8 56 196 A L T 3 5S- 0 0 16 -5,-0.4 -1,-0.3 -4,-0.2 -2,-0.2 0.171 123.1-108.9 -98.4 15.6 16.9 29.1 56.2 57 197 A H T < 5S+ 0 0 101 -3,-3.3 -44,-0.3 1,-0.2 2,-0.3 0.867 71.4 140.3 60.3 45.2 19.9 26.8 56.8 58 198 A F < - 0 0 9 -5,-1.8 2,-0.9 -4,-0.3 -1,-0.2 -0.812 55.2-120.5-112.7 153.2 18.2 24.5 59.3 59 199 A E E -b 14 0B 80 -46,-2.1 -44,-1.7 -48,-0.4 -5,-0.1 -0.818 29.9-143.3-102.6 101.2 18.7 20.7 59.4 60 200 A I E -b 15 0B 21 -2,-0.9 -44,-0.2 -46,-0.2 -46,-0.0 -0.227 17.3-173.3 -60.9 144.6 15.4 19.1 58.9 61 201 A K E -b 16 0B 66 -46,-1.7 -44,-1.5 2,-0.0 -1,-0.1 -0.682 14.5-167.4-143.4 82.7 14.6 15.9 60.8 62 202 A P E -b 17 0B 61 0, 0.0 2,-0.3 0, 0.0 -44,-0.2 -0.218 9.5-179.0 -70.9 160.2 11.3 14.5 59.6 63 203 A H E -b 18 0B 61 -46,-1.6 -44,-2.7 3,-0.0 2,-0.4 -0.938 12.9-146.7-158.8 137.0 9.3 11.7 61.2 64 204 A H E -b 19 0B 113 -2,-0.3 -44,-0.2 1,-0.2 -46,-0.1 -0.890 60.9 -7.0-122.8 147.9 6.1 10.2 60.1 65 205 A D S S- 0 0 62 -46,-1.8 2,-0.5 -2,-0.4 -1,-0.2 0.934 76.1-175.0 43.7 71.5 2.9 8.7 61.6 66 206 A C - 0 0 5 -3,-0.2 39,-2.5 4,-0.0 40,-0.2 -0.849 21.1-138.9-106.3 131.7 4.2 8.7 65.2 67 207 A T > - 0 0 28 -2,-0.5 4,-2.0 37,-0.3 5,-0.1 -0.169 41.0 -97.3 -67.3 172.3 2.3 7.3 68.2 68 208 A V H > S+ 0 0 14 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.926 127.1 52.0 -62.5 -41.5 2.4 9.4 71.3 69 209 A E H > S+ 0 0 131 1,-0.2 4,-3.2 2,-0.2 -1,-0.2 0.924 106.7 51.4 -59.6 -47.0 5.2 7.2 72.6 70 210 A Q H > S+ 0 0 75 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.910 108.1 54.5 -56.5 -43.0 7.3 7.6 69.5 71 211 A I H X S+ 0 0 1 -4,-2.0 4,-2.5 2,-0.2 -1,-0.2 0.917 111.1 43.1 -57.7 -48.8 6.8 11.4 69.8 72 212 A Y H X S+ 0 0 58 -4,-2.1 4,-3.5 2,-0.2 5,-0.3 0.976 111.5 55.1 -62.8 -51.5 8.2 11.4 73.3 73 213 A E H X S+ 0 0 113 -4,-3.2 4,-0.9 1,-0.2 -2,-0.2 0.907 111.1 47.1 -44.8 -48.2 11.0 9.1 72.3 74 214 A I H >X S+ 0 0 14 -4,-2.8 4,-1.6 1,-0.2 3,-0.6 0.911 112.0 46.2 -63.4 -47.7 11.9 11.5 69.6 75 215 A L H 3X S+ 0 0 0 -4,-2.5 4,-2.6 1,-0.2 5,-0.2 0.921 106.5 60.5 -64.1 -39.9 11.9 14.6 71.7 76 216 A K H 3X S+ 0 0 118 -4,-3.5 4,-1.0 2,-0.2 -1,-0.2 0.786 103.1 54.3 -58.1 -25.8 13.9 12.9 74.3 77 217 A I H XX S+ 0 0 91 -4,-0.9 3,-1.8 -3,-0.6 4,-0.8 0.993 114.6 35.2 -69.3 -66.8 16.5 12.4 71.7 78 218 A Y H 3< S+ 0 0 14 -4,-1.6 -2,-0.2 1,-0.3 -1,-0.2 0.738 113.3 62.9 -60.2 -19.0 16.9 16.1 70.8 79 219 A Q H 3< S+ 0 0 21 -4,-2.6 -1,-0.3 -5,-0.3 -2,-0.2 0.820 108.4 42.1 -73.0 -29.8 16.2 16.8 74.4 80 220 A L H << S+ 0 0 111 -3,-1.8 -2,-0.2 -4,-1.0 -1,-0.2 0.484 94.8 105.7 -95.2 -6.1 19.4 15.0 75.2 81 221 A M S < S- 0 0 65 -4,-0.8 2,-0.8 -3,-0.2 45,-0.3 -0.130 76.3-112.0 -71.4 170.9 21.6 16.3 72.4 82 222 A D > + 0 0 115 1,-0.1 3,-0.5 43,-0.1 -1,-0.1 -0.884 33.2 175.5-107.0 99.2 24.4 18.9 72.7 83 224 A H G > + 0 0 1 -2,-0.8 3,-2.0 1,-0.2 -1,-0.1 0.204 41.0 122.5 -88.5 16.1 23.0 21.9 70.9 84 225 A S G 3 S+ 0 0 70 1,-0.3 -1,-0.2 3,-0.0 43,-0.0 0.783 79.7 38.8 -48.6 -35.4 26.2 23.8 72.0 85 226 A N G < S+ 0 0 143 -3,-0.5 -1,-0.3 -76,-0.0 -73,-0.3 0.493 102.3 94.8 -96.4 -1.9 27.1 24.6 68.4 86 227 A M < - 0 0 15 -3,-2.0 -73,-0.2 40,-0.2 3,-0.1 -0.572 57.3-161.3 -88.2 151.3 23.5 25.2 67.5 87 228 A D S S- 0 0 24 -75,-3.4 2,-0.3 1,-0.3 -74,-0.2 0.582 71.4 -2.0-105.7 -15.7 21.9 28.6 67.5 88 229 A C - 0 0 0 -76,-1.9 -74,-0.4 42,-0.2 2,-0.3 -0.967 57.6-139.3-164.6 170.1 18.2 27.7 67.7 89 230 A F E - d 0 132B 0 42,-1.7 44,-2.8 -2,-0.3 2,-0.4 -0.972 14.2-172.4-146.0 128.5 15.8 24.7 67.7 90 231 A I E -cd 15 133B 0 -76,-2.5 -74,-2.0 -2,-0.3 2,-0.5 -0.975 1.5-172.8-125.6 134.6 12.5 24.4 65.9 91 232 A C E -cd 16 134B 0 42,-2.8 44,-2.2 -2,-0.4 2,-0.4 -0.968 5.3-165.3-130.2 122.0 10.0 21.6 66.3 92 233 A C E -cd 17 135B 0 -76,-2.7 -74,-2.7 -2,-0.5 2,-0.4 -0.848 2.2-170.0-108.0 139.8 6.9 21.2 64.1 93 234 A I E -cd 18 136B 0 42,-2.3 44,-2.9 -2,-0.4 2,-0.5 -0.989 6.4-179.9-130.6 128.6 3.9 19.1 64.8 94 235 A L E +cd 19 137B 0 -76,-2.4 -74,-2.8 -2,-0.4 2,-0.3 -0.978 37.8 100.1-128.5 115.7 1.1 18.3 62.4 95 236 A S S S- 0 0 0 42,-2.2 44,-0.2 -2,-0.5 9,-0.1 -0.956 71.9 -70.5-174.4 179.9 -1.6 16.0 63.7 96 237 A H + 0 0 6 -2,-0.3 7,-2.4 7,-0.3 2,-0.3 -0.292 57.4 161.4 -78.7 174.7 -5.1 16.0 65.2 97 238 A G E -M 102 0C 7 149,-1.3 44,-0.3 5,-0.3 2,-0.3 -0.984 25.5-144.1-176.1-178.8 -5.7 17.4 68.7 98 239 A D E > -M 101 0C 52 3,-1.6 3,-3.3 -2,-0.3 43,-0.2 -0.861 62.3 -20.2-151.1-176.9 -7.9 18.7 71.4 99 240 A K T 3 S- 0 0 145 1,-0.3 42,-0.1 -2,-0.3 41,-0.1 -0.043 131.6 -23.7 -35.2 105.8 -8.1 21.2 74.2 100 241 A G T 3 S+ 0 0 27 40,-0.2 12,-2.0 1,-0.2 13,-0.4 0.705 121.2 97.0 57.3 25.8 -4.4 21.7 74.9 101 242 A I E < -MN 98 111C 14 -3,-3.3 -3,-1.6 10,-0.3 2,-0.3 -0.969 58.4-142.4-144.1 161.3 -3.2 18.4 73.4 102 243 A I E -MN 97 110C 0 8,-2.1 8,-2.4 -2,-0.3 2,-0.5 -0.810 27.8-120.9-116.1 155.2 -1.8 16.8 70.3 103 244 A Y E - 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