==== 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 02-OCT-05 2C2Z . COMPND 2 MOLECULE: CASPASE-8 P18 SUBUNIT; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR R.GANESAN,S.JELAKOVIC,O.D.EKICI,Z.Z.LI,K.E.JAMES,J.L.ASGIAN, . 242 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11783.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 163 67.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 30 12.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 21 8.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 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 . 18 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 27 11.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 54 22.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 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 0 1 1 0 0 0 0 0 0 3 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 0 0 2 2 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 . 3 2 1 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 2 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 1 223 A D 0 0 173 0, 0.0 2,-0.1 0, 0.0 232,-0.1 0.000 360.0 360.0 360.0 157.9 -2.4 8.4 12.7 2 224 A K - 0 0 150 230,-0.1 232,-2.5 1,-0.0 2,-0.4 -0.486 360.0-167.0 -72.1 143.3 -1.0 11.6 11.2 3 225 A V B -a 234 0A 69 230,-0.2 232,-0.2 -2,-0.1 2,-0.1 -0.992 24.9-105.9-135.4 141.6 1.1 13.7 13.5 4 226 A Y - 0 0 7 230,-2.5 232,-0.3 -2,-0.4 2,-0.2 -0.403 43.4-104.6 -65.2 139.3 2.4 17.2 13.3 5 227 A Q + 0 0 117 -2,-0.1 -1,-0.1 1,-0.1 3,-0.1 -0.459 47.0 169.2 -63.7 130.0 6.1 17.5 12.6 6 228 A M + 0 0 14 -2,-0.2 -1,-0.1 1,-0.1 5,-0.1 -0.501 37.0 104.0-146.0 70.2 7.8 18.5 15.9 7 229 A K + 0 0 150 4,-0.1 4,-0.1 3,-0.1 -1,-0.1 0.451 42.9 115.5-129.0 -7.3 11.6 18.1 15.6 8 230 A S - 0 0 21 3,-0.2 78,-0.1 -3,-0.1 77,-0.1 -0.322 67.8-112.4 -67.7 151.2 12.9 21.6 15.2 9 231 A K S S+ 0 0 119 75,-0.1 2,-0.2 2,-0.1 48,-0.1 -0.934 111.5 26.0-130.1 107.2 15.2 23.0 17.9 10 232 A P S S- 0 0 44 0, 0.0 47,-0.2 0, 0.0 76,-0.2 0.562 89.2-145.3 -70.1 167.3 13.8 25.2 19.3 11 233 A R - 0 0 4 45,-2.9 75,-2.8 1,-0.3 76,-1.8 0.832 62.2 -80.6 -67.8 -32.4 10.3 23.9 18.5 12 234 A G - 0 0 0 44,-0.5 46,-2.8 73,-0.2 -1,-0.3 -0.954 65.0 -37.9 157.0-168.8 9.2 27.5 18.3 13 235 A Y E -b 58 0B 38 74,-0.5 76,-2.7 -2,-0.3 2,-0.5 -0.594 35.9-162.0 -88.4 146.0 8.3 30.5 20.4 14 236 A C E -bc 59 89B 0 44,-2.5 46,-2.2 -2,-0.2 76,-0.2 -0.880 14.7-158.9-126.5 96.1 6.2 30.3 23.6 15 237 A L E -bc 60 90B 0 74,-2.7 76,-3.4 -2,-0.5 2,-0.4 -0.512 4.8-165.4 -75.9 142.3 4.9 33.8 24.5 16 238 A I E -bc 61 91B 0 44,-2.2 46,-2.6 74,-0.2 2,-0.8 -0.913 5.1-168.8-132.9 104.5 3.8 34.4 28.0 17 239 A I E -bc 62 92B 0 74,-3.4 76,-2.9 -2,-0.4 2,-0.6 -0.860 14.0-174.1 -93.1 111.8 1.7 37.5 28.7 18 240 A N E -bc 63 93B 9 44,-3.0 46,-2.7 -2,-0.8 2,-0.6 -0.871 4.7-171.8-116.2 99.0 1.7 37.8 32.5 19 241 A N + 0 0 0 74,-2.8 3,-0.1 -2,-0.6 19,-0.1 -0.796 24.6 143.2 -96.1 123.1 -0.5 40.5 33.9 20 242 A H + 0 0 57 -2,-0.6 18,-1.8 1,-0.2 2,-0.7 0.723 53.0 69.2-119.7 -47.9 -0.2 41.2 37.6 21 243 A N + 0 0 70 16,-0.2 3,-0.3 1,-0.1 -1,-0.2 -0.699 44.5 169.0 -85.8 111.9 -0.6 45.0 38.3 22 244 A F > + 0 0 0 -2,-0.7 4,-2.0 1,-0.2 5,-0.2 -0.042 37.1 120.9-111.4 32.0 -4.1 46.3 37.6 23 245 A A H > S+ 0 0 42 1,-0.2 4,-1.4 2,-0.2 5,-0.2 0.878 74.6 53.8 -60.7 -40.5 -3.7 49.8 39.2 24 246 A K H > S+ 0 0 89 -3,-0.3 4,-2.7 1,-0.2 5,-0.3 0.902 108.1 50.2 -62.4 -41.2 -4.5 51.5 35.9 25 247 A A H > S+ 0 0 0 79,-1.4 4,-2.0 1,-0.2 7,-0.3 0.918 107.5 52.8 -63.2 -45.3 -7.8 49.6 35.6 26 248 A R H < S+ 0 0 65 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.796 118.0 38.4 -61.3 -29.0 -8.8 50.5 39.2 27 249 A E H < S+ 0 0 165 -4,-1.4 -2,-0.2 -5,-0.2 -1,-0.2 0.798 125.2 34.1 -92.2 -33.0 -8.3 54.1 38.4 28 250 A K H < S+ 0 0 121 -4,-2.7 -3,-0.2 1,-0.2 -2,-0.2 0.883 107.6 60.5 -91.8 -45.2 -9.6 54.3 34.8 29 251 A V >< - 0 0 25 -4,-2.0 3,-2.3 -5,-0.3 -1,-0.2 -0.788 67.0-153.9 -94.7 109.8 -12.5 51.8 34.6 30 252 A P G > S+ 0 0 110 0, 0.0 3,-1.4 0, 0.0 -1,-0.2 0.856 94.8 49.2 -43.3 -52.6 -15.3 52.7 37.0 31 253 A K G 3 S+ 0 0 131 1,-0.3 3,-0.2 2,-0.1 -5,-0.1 0.542 108.1 56.9 -71.1 -5.2 -16.7 49.1 37.2 32 254 A L G X + 0 0 17 -3,-2.3 3,-1.5 -7,-0.3 -1,-0.3 0.048 65.7 123.3-112.1 23.9 -13.1 47.9 38.0 33 255 A H T < S+ 0 0 124 -3,-1.4 -1,-0.1 1,-0.3 -2,-0.1 0.755 84.6 32.7 -56.0 -26.8 -12.6 50.1 41.0 34 256 A S T 3 S+ 0 0 54 -3,-0.2 -1,-0.3 -9,-0.1 2,-0.2 0.201 78.7 135.2-118.6 16.4 -11.9 47.1 43.1 35 257 A I < - 0 0 22 -3,-1.5 2,-0.2 -13,-0.1 -9,-0.1 -0.493 49.3-138.5 -65.6 130.6 -10.2 44.7 40.7 36 258 A R - 0 0 147 -2,-0.2 -1,-0.1 1,-0.1 -2,-0.1 -0.610 15.9 -96.6 -97.6 155.4 -7.2 43.2 42.6 37 259 A D - 0 0 40 -2,-0.2 2,-1.6 1,-0.1 -16,-0.2 -0.301 41.4-111.7 -62.6 151.3 -3.7 42.5 41.5 38 260 A R > - 0 0 3 -18,-1.8 3,-1.9 -19,-0.1 4,-0.2 -0.490 39.1-167.3 -89.4 69.4 -3.1 38.9 40.5 39 261 A N T 3 S+ 0 0 78 -2,-1.6 140,-0.1 1,-0.3 204,-0.1 -0.293 71.1 27.6 -58.9 134.0 -0.8 37.8 43.3 40 262 A G T >> S+ 0 0 3 137,-0.1 3,-1.5 138,-0.1 4,-0.7 0.293 80.6 118.8 97.1 -7.8 0.9 34.5 42.6 41 263 A T H X> + 0 0 3 -3,-1.9 4,-2.0 1,-0.3 3,-0.7 0.801 66.2 66.4 -62.1 -27.4 0.8 34.8 38.8 42 264 A H H 3> S+ 0 0 122 1,-0.3 4,-2.3 2,-0.2 -1,-0.3 0.795 92.5 61.7 -64.5 -25.6 4.6 34.6 38.7 43 265 A L H <> S+ 0 0 60 -3,-1.5 4,-1.7 2,-0.2 -1,-0.3 0.860 105.9 46.3 -67.2 -33.6 4.3 31.0 39.9 44 266 A D H S+ 0 0 0 -4,-2.8 5,-3.0 2,-0.2 -1,-0.2 0.744 112.1 55.5 -79.2 -21.8 8.1 24.5 27.8 53 275 A E H ><5S+ 0 0 113 -4,-2.0 3,-1.8 -5,-0.3 -1,-0.2 0.888 107.5 52.5 -72.2 -36.4 11.8 25.1 27.9 54 276 A E H 3<5S+ 0 0 103 -4,-1.7 -2,-0.2 1,-0.3 -1,-0.2 0.801 107.3 52.3 -64.8 -28.3 12.0 21.4 28.9 55 277 A L T 3<5S- 0 0 5 -4,-0.8 -1,-0.3 -5,-0.1 -2,-0.2 0.221 126.7-104.4 -92.0 11.7 9.9 20.8 25.8 56 278 A H T < 5S+ 0 0 49 -3,-1.8 -45,-2.9 1,-0.2 -44,-0.5 0.731 72.7 139.4 73.7 28.3 12.4 22.8 23.7 57 279 A F < - 0 0 8 -5,-3.0 2,-0.7 -47,-0.2 -1,-0.2 -0.702 54.8-120.9 -99.7 155.4 10.5 26.0 23.2 58 280 A E E -b 13 0B 73 -46,-2.8 -44,-2.5 -2,-0.3 2,-0.3 -0.868 31.8-137.6 -96.5 115.4 12.1 29.5 23.3 59 281 A I E -b 14 0B 20 -2,-0.7 -44,-0.2 -46,-0.2 -46,-0.1 -0.567 20.3-174.3 -80.4 131.9 10.3 31.5 26.1 60 282 A K E -b 15 0B 63 -46,-2.2 -44,-2.2 -2,-0.3 2,-0.2 -0.825 12.5-166.7-126.4 90.3 9.3 35.1 25.5 61 283 A P E -b 16 0B 75 0, 0.0 2,-0.4 0, 0.0 -44,-0.2 -0.509 10.1-177.9 -80.9 145.2 7.9 36.7 28.7 62 284 A H E -b 17 0B 59 -46,-2.6 -44,-3.0 -2,-0.2 2,-0.3 -0.938 13.1-155.1-143.6 114.9 6.0 40.0 28.8 63 285 A D E -b 18 0B 105 -2,-0.4 -44,-0.2 1,-0.2 -46,-0.1 -0.729 61.2 -1.2-100.8 144.7 4.8 41.4 32.1 64 286 A D S S- 0 0 61 -46,-2.7 2,-0.4 -2,-0.3 -1,-0.2 0.956 76.0-179.1 46.7 80.0 1.9 43.8 32.9 65 287 A C - 0 0 5 -3,-0.2 39,-2.0 4,-0.0 -1,-0.2 -0.901 22.1-142.8-114.1 135.3 0.6 44.6 29.4 66 288 A T > - 0 0 11 -2,-0.4 4,-1.9 37,-0.3 5,-0.1 -0.325 40.5 -98.5 -78.9 172.3 -2.3 46.9 28.5 67 289 A V H > S+ 0 0 11 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.929 126.5 50.3 -60.5 -45.0 -4.5 45.8 25.6 68 290 A E H > S+ 0 0 158 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.887 110.3 51.1 -59.9 -39.1 -2.7 48.0 23.2 69 291 A Q H > S+ 0 0 69 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.837 107.8 52.7 -68.2 -33.3 0.6 46.6 24.4 70 292 A I H X S+ 0 0 0 -4,-1.9 4,-2.5 2,-0.2 5,-0.2 0.944 108.7 48.9 -67.5 -47.5 -0.7 43.0 23.9 71 293 A Y H X S+ 0 0 72 -4,-2.4 4,-2.0 1,-0.2 -2,-0.2 0.864 109.7 53.3 -60.4 -36.0 -1.7 43.7 20.3 72 294 A E H X S+ 0 0 127 -4,-1.8 4,-1.7 -5,-0.2 -1,-0.2 0.908 109.7 47.6 -64.9 -42.2 1.7 45.2 19.6 73 295 A I H X S+ 0 0 14 -4,-1.8 4,-1.6 1,-0.2 -2,-0.2 0.916 112.3 48.6 -65.4 -43.9 3.4 42.1 20.9 74 296 A L H X S+ 0 0 0 -4,-2.5 4,-1.9 1,-0.2 -1,-0.2 0.864 107.9 55.4 -65.5 -34.8 1.2 39.8 18.9 75 297 A K H X S+ 0 0 127 -4,-2.0 4,-2.1 -5,-0.2 -1,-0.2 0.903 104.0 54.9 -64.3 -40.5 1.9 41.9 15.8 76 298 A I H X S+ 0 0 90 -4,-1.7 4,-0.6 1,-0.2 -1,-0.2 0.904 113.4 40.9 -59.1 -42.3 5.6 41.5 16.2 77 299 A Y H < S+ 0 0 18 -4,-1.6 -1,-0.2 2,-0.2 -2,-0.2 0.748 110.1 58.2 -80.0 -21.9 5.2 37.7 16.3 78 300 A Q H < S+ 0 0 27 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.881 112.6 40.6 -71.0 -37.8 2.7 37.7 13.5 79 301 A L H < S+ 0 0 123 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.548 96.6 104.0 -86.7 -10.2 5.2 39.4 11.2 80 302 A M S < S- 0 0 50 -4,-0.6 2,-0.8 -5,-0.2 45,-0.2 -0.305 81.1-107.5 -71.9 157.1 8.1 37.3 12.5 81 303 A D + 0 0 97 1,-0.1 3,-0.3 43,-0.1 -1,-0.1 -0.785 38.1 170.9 -91.7 108.6 9.6 34.5 10.4 82 304 A H > + 0 0 0 -2,-0.8 3,-2.3 1,-0.2 -1,-0.1 0.130 40.0 119.7-100.1 17.2 8.6 31.1 11.9 83 305 A S T 3 S+ 0 0 66 1,-0.3 -1,-0.2 3,-0.0 -2,-0.0 0.854 77.8 45.1 -51.0 -40.2 9.9 29.2 8.9 84 306 A N T 3 S+ 0 0 135 -3,-0.3 -1,-0.3 -76,-0.0 2,-0.3 0.349 101.9 87.0 -88.7 7.7 12.4 27.3 11.0 85 307 A M < - 0 0 17 -3,-2.3 -73,-0.2 40,-0.2 -74,-0.1 -0.735 57.3-161.4-105.8 155.1 9.8 26.6 13.7 86 308 A D S S+ 0 0 12 -75,-2.8 2,-0.3 -2,-0.3 -74,-0.2 0.493 74.6 16.6-109.4 -8.7 7.4 23.7 14.0 87 309 A C - 0 0 0 -76,-1.8 -74,-0.5 42,-0.2 2,-0.3 -0.976 56.5-148.2-157.7 165.1 5.0 25.2 16.5 88 310 A F E - d 0 131B 0 42,-1.6 44,-3.2 -2,-0.3 2,-0.4 -0.983 14.1-173.1-143.7 129.3 3.8 28.4 18.2 89 311 A I E -cd 14 132B 0 -76,-2.7 -74,-2.7 -2,-0.3 2,-0.4 -0.968 4.3-173.4-125.4 141.2 2.5 28.8 21.7 90 312 A C E -cd 15 133B 1 42,-2.6 44,-2.3 -2,-0.4 2,-0.5 -0.978 5.6-165.8-135.6 120.5 0.9 31.9 23.4 91 313 A C E -cd 16 134B 0 -76,-3.4 -74,-3.4 -2,-0.4 2,-0.5 -0.926 1.2-165.8-110.5 127.6 0.0 31.9 27.1 92 314 A I E -cd 17 135B 1 42,-2.8 44,-3.0 -2,-0.5 2,-0.5 -0.957 6.3-178.3-115.2 122.4 -2.2 34.7 28.5 93 315 A L E +cd 18 136B 0 -76,-2.9 -74,-2.8 -2,-0.5 2,-0.3 -0.953 38.8 97.5-120.0 108.1 -2.4 35.1 32.3 94 316 A S S S- 0 0 1 42,-2.2 44,-0.2 -2,-0.5 2,-0.2 -0.944 73.0 -67.8-168.6-174.8 -4.8 37.9 33.3 95 317 A H + 0 0 21 7,-0.3 7,-2.9 -2,-0.3 2,-0.3 -0.493 56.3 169.0 -84.3 164.1 -8.2 38.9 34.5 96 318 A G E -G 101 0C 11 5,-0.3 44,-0.3 -2,-0.2 2,-0.2 -0.955 24.6-155.1-163.0-179.6 -11.1 38.4 32.0 97 319 A D E > -G 100 0C 48 3,-1.6 3,-2.4 -2,-0.3 43,-0.2 -0.824 61.8 -26.0-150.5-174.5 -14.8 38.3 31.3 98 320 A K T 3 S- 0 0 92 1,-0.3 42,-0.1 -2,-0.2 41,-0.1 -0.188 129.1 -19.1 -47.9 112.0 -17.2 36.6 28.8 99 321 A G T 3 S+ 0 0 32 1,-0.2 12,-2.1 40,-0.1 13,-0.4 0.568 125.4 79.7 65.2 11.8 -15.1 36.0 25.7 100 322 A I E < -GH 97 110C 13 -3,-2.4 -3,-1.6 10,-0.3 2,-0.3 -0.905 61.6-142.6-142.9 169.3 -12.4 38.5 26.6 101 323 A I E -GH 96 109C 0 8,-1.6 8,-2.2 -2,-0.3 2,-0.3 -0.949 28.0-121.5-129.6 149.4 -9.3 39.1 28.7 102 324 A Y E - 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