==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=2-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 28-AUG-08 2K7Z . COMPND 2 MOLECULE: CASPASE-8; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR N.KELLER,O.ZERBE,J.MARES,M.G.GRUETTER . 229 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15153.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 100 43.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 17 7.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.9 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 . 0 0.0 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-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 . 25 10.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 21 9.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 29 12.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.9 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 1 0 0 2 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 2 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 PARALLEL BRIDGES PER LADDER . 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 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 1 224 A K > 0 0 165 0, 0.0 3,-2.1 0, 0.0 4,-0.3 0.000 360.0 360.0 360.0 170.6 -8.9 1.7 9.9 2 225 A V T 3 - 0 0 56 1,-0.3 224,-0.1 2,-0.1 226,-0.0 -0.302 360.0 -3.0 -51.4 127.4 -10.3 4.2 7.3 3 226 A Y T 3 S+ 0 0 114 222,-0.1 3,-0.3 1,-0.1 -1,-0.3 0.677 102.9 114.8 56.6 24.2 -9.1 7.8 8.1 4 227 A Q < + 0 0 120 -3,-2.1 -2,-0.1 1,-0.2 -1,-0.1 0.452 43.7 90.8-101.0 0.6 -7.4 6.4 11.4 5 228 A M + 0 0 20 -4,-0.3 2,-0.8 222,-0.1 -1,-0.2 0.357 52.1 141.4 -77.2 2.4 -3.8 7.2 10.3 6 229 A K + 0 0 159 -3,-0.3 2,-0.2 78,-0.1 4,-0.1 -0.307 29.2 121.0 -56.8 93.4 -4.1 10.7 12.0 7 230 A S S S- 0 0 47 -2,-0.8 -2,-0.0 224,-0.4 -3,-0.0 -0.833 76.7 -87.3-145.0 174.9 -0.6 11.2 13.6 8 231 A K S S+ 0 0 201 -2,-0.2 2,-0.2 2,-0.0 -1,-0.1 0.960 108.9 63.8 -50.6 -62.9 2.5 13.5 13.7 9 232 A P - 0 0 49 0, 0.0 -2,-0.3 0, 0.0 3,-0.1 -0.519 67.9-159.7 -70.2 137.3 4.2 11.7 10.8 10 233 A R - 0 0 94 1,-0.2 2,-0.2 -2,-0.2 46,-0.1 0.936 58.9 -59.4 -77.2 -56.6 2.5 11.9 7.4 11 234 A G - 0 0 4 2,-0.0 46,-2.3 73,-0.0 2,-0.6 -0.703 37.9-123.3 166.9 142.0 4.1 8.9 5.6 12 235 A Y E -a 57 0A 64 74,-0.5 76,-1.3 -2,-0.2 2,-0.4 -0.906 30.8-174.8-103.4 109.7 7.6 7.6 4.6 13 236 A C E -ab 58 88A 2 44,-2.6 46,-2.8 -2,-0.6 2,-0.4 -0.915 12.6-145.8-108.7 134.8 7.8 6.9 0.8 14 237 A L E +ab 59 89A 6 74,-1.7 76,-0.8 -2,-0.4 2,-0.3 -0.828 16.6 179.1-101.4 138.2 10.9 5.4 -0.8 15 238 A I E -ab 60 90A 8 44,-2.1 46,-2.8 -2,-0.4 2,-0.8 -0.952 17.5-150.3-143.6 115.6 12.1 6.3 -4.3 16 239 A I E -a 61 0A 15 74,-0.7 2,-0.9 -2,-0.3 46,-0.2 -0.777 3.1-164.9 -87.4 105.8 15.3 4.8 -6.1 17 240 A N + 0 0 70 44,-3.2 2,-1.3 -2,-0.8 46,-0.2 -0.247 28.0 159.3 -81.3 43.9 16.7 7.4 -8.5 18 241 A N + 0 0 6 -2,-0.9 45,-0.1 1,-0.2 44,-0.1 -0.605 7.3 166.4 -70.6 93.7 18.9 4.6 -10.2 19 242 A H + 0 0 119 -2,-1.3 2,-0.9 1,-0.0 -1,-0.2 0.718 46.8 98.4 -79.9 -26.0 19.6 6.3 -13.6 20 243 A N + 0 0 84 1,-0.2 3,-0.2 -3,-0.2 -1,-0.0 -0.547 39.3 161.1 -69.3 102.8 22.3 3.7 -14.5 21 244 A F >> + 0 0 76 -2,-0.9 4,-2.3 1,-0.1 3,-1.3 0.290 36.0 112.3-106.0 9.3 20.5 1.2 -16.7 22 245 A A T 34 S+ 0 0 44 1,-0.3 -1,-0.1 2,-0.2 4,-0.1 0.858 95.1 24.4 -53.8 -42.6 23.7 -0.3 -18.4 23 246 A K T 34 S+ 0 0 62 -3,-0.2 82,-0.6 1,-0.1 4,-0.4 0.248 121.5 61.4-105.7 11.4 23.1 -3.7 -16.7 24 247 A A T <> S+ 0 0 1 -3,-1.3 4,-3.2 80,-0.2 7,-0.2 0.612 75.1 87.4-109.4 -18.9 19.4 -3.1 -16.3 25 248 A R T < S+ 0 0 9 -4,-2.3 7,-0.2 1,-0.2 -3,-0.1 0.714 98.8 39.2 -52.4 -27.6 18.4 -2.8 -20.0 26 249 A E T 4 S+ 0 0 18 -5,-0.2 -1,-0.2 -4,-0.1 -2,-0.1 0.927 123.7 34.4 -88.5 -60.6 17.9 -6.6 -20.1 27 250 A K T 4 S+ 0 0 27 -4,-0.4 -2,-0.2 1,-0.3 -3,-0.1 0.843 130.5 37.2 -63.2 -37.3 16.3 -7.4 -16.7 28 251 A V >< + 0 0 3 -4,-3.2 3,-2.3 -7,-0.1 -1,-0.3 -0.713 64.5 172.0-120.1 77.6 14.3 -4.1 -16.8 29 252 A P G > S+ 0 0 2 0, 0.0 3,-0.6 0, 0.0 111,-0.1 0.668 77.2 69.7 -63.7 -11.7 13.3 -3.5 -20.5 30 253 A K G 3 S+ 0 0 50 1,-0.2 3,-0.4 2,-0.1 109,-0.1 0.554 86.5 67.2 -81.2 -8.2 11.2 -0.5 -19.1 31 254 A L G < S+ 0 0 13 -3,-2.3 3,-0.2 -7,-0.2 -1,-0.2 0.548 96.8 51.2 -92.4 -9.6 14.5 1.4 -18.2 32 255 A H S < S+ 0 0 39 -3,-0.6 -1,-0.2 -4,-0.3 -2,-0.1 0.254 101.0 64.7-104.1 6.8 15.5 1.9 -21.9 33 256 A S S S+ 0 0 42 -3,-0.4 -1,-0.1 107,-0.1 -2,-0.1 0.168 79.2 110.1-112.9 7.0 12.1 3.4 -22.9 34 257 A I S S- 0 0 56 -3,-0.2 2,-0.8 1,-0.1 -3,-0.0 -0.058 80.3 -90.6 -71.0 179.5 12.3 6.6 -20.7 35 258 A R + 0 0 142 1,-0.2 8,-0.2 4,-0.1 -1,-0.1 -0.845 50.7 156.8-102.0 101.4 12.7 10.2 -21.9 36 259 A D + 0 0 137 -2,-0.8 3,-0.3 1,-0.1 -1,-0.2 0.827 67.2 65.1 -86.4 -36.3 16.4 11.2 -22.2 37 260 A R S S+ 0 0 202 1,-0.3 2,-0.3 3,-0.0 -1,-0.1 0.883 122.3 6.3 -56.5 -49.9 16.0 14.0 -24.8 38 261 A N S S+ 0 0 106 1,-0.1 -1,-0.3 2,-0.0 -2,-0.0 -0.908 112.6 61.2-141.7 110.1 14.0 16.3 -22.4 39 262 A G + 0 0 9 -2,-0.3 -1,-0.1 -3,-0.3 4,-0.1 0.288 37.9 162.6 134.4 91.8 13.5 15.3 -18.8 40 263 A T S S+ 0 0 124 -3,-0.1 4,-0.2 2,-0.1 3,-0.1 0.897 90.3 9.7 -91.7 -65.5 16.4 14.9 -16.3 41 264 A H S > S+ 0 0 143 1,-0.1 4,-1.8 2,-0.1 5,-0.1 0.224 111.9 88.1 -96.2 9.0 14.8 15.0 -12.8 42 265 A L H > S+ 0 0 97 2,-0.2 4,-2.8 3,-0.2 5,-0.2 0.972 89.2 43.7 -71.0 -53.6 11.3 14.8 -14.3 43 266 A D H 4 S+ 0 0 75 1,-0.2 4,-0.2 2,-0.2 -1,-0.2 0.735 125.3 36.0 -66.7 -25.3 11.0 11.0 -14.4 44 267 A A H > S+ 0 0 17 -4,-0.2 4,-0.7 2,-0.1 -1,-0.2 0.709 119.4 48.1 -96.9 -30.2 12.5 10.7 -10.9 45 268 A G H X S+ 0 0 27 -4,-1.8 4,-3.5 2,-0.2 5,-0.3 0.788 96.7 71.9 -81.3 -27.3 11.0 13.9 -9.4 46 269 A A H X S+ 0 0 33 -4,-2.8 4,-0.6 1,-0.2 -1,-0.2 0.790 101.1 45.8 -59.3 -30.2 7.4 13.0 -10.7 47 270 A L H 4 S+ 0 0 38 -3,-0.2 4,-0.5 -4,-0.2 -1,-0.2 0.876 118.6 41.7 -77.8 -38.9 7.3 10.3 -8.0 48 271 A T H >X S+ 0 0 20 -4,-0.7 4,-2.2 1,-0.2 3,-1.7 0.941 106.6 59.8 -73.9 -49.2 8.6 12.6 -5.2 49 272 A T H 3X S+ 0 0 57 -4,-3.5 4,-2.5 1,-0.3 5,-0.2 0.764 96.5 64.6 -51.7 -33.8 6.6 15.8 -6.1 50 273 A T H 3< S+ 0 0 5 -4,-0.6 4,-0.4 -5,-0.3 -1,-0.3 0.835 111.7 34.2 -58.6 -39.6 3.4 13.7 -5.5 51 274 A F H <4>S+ 0 0 21 -3,-1.7 5,-2.8 -4,-0.5 4,-0.3 0.774 112.2 62.8 -88.8 -28.4 4.3 13.4 -1.8 52 275 A E H ><5S+ 0 0 119 -4,-2.2 3,-2.0 1,-0.2 -2,-0.2 0.950 102.4 49.0 -59.0 -51.5 5.9 16.9 -1.7 53 276 A E T 3<5S+ 0 0 101 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.769 111.9 50.8 -61.7 -24.1 2.6 18.7 -2.5 54 277 A L T 3 5S- 0 0 10 -4,-0.4 -1,-0.3 -5,-0.2 -2,-0.2 0.435 114.9-120.0 -85.9 -3.4 1.0 16.5 0.3 55 278 A H T < 5 + 0 0 147 -3,-2.0 -3,-0.2 -4,-0.3 -45,-0.2 0.726 62.3 151.7 65.6 25.5 3.8 17.5 2.8 56 279 A F < - 0 0 18 -5,-2.8 2,-0.7 -46,-0.1 -1,-0.2 -0.262 53.1-100.1 -78.6 169.7 4.8 13.8 3.2 57 280 A E E -a 12 0A 106 -46,-2.3 -44,-2.6 -2,-0.0 2,-0.4 -0.840 41.4-171.2 -96.1 114.5 8.3 12.4 4.0 58 281 A I E -a 13 0A 29 -2,-0.7 -44,-0.2 -46,-0.2 -46,-0.1 -0.880 18.1-156.6-107.7 140.5 10.2 11.2 0.9 59 282 A K E -a 14 0A 66 -46,-2.8 -44,-2.1 -2,-0.4 2,-0.6 -0.814 14.9-172.2-112.8 82.4 13.5 9.3 0.8 60 283 A P E -a 15 0A 81 0, 0.0 2,-0.3 0, 0.0 -44,-0.2 -0.713 10.0-165.0 -72.9 115.8 15.0 9.9 -2.6 61 284 A H E -a 16 0A 49 -46,-2.8 -44,-3.2 -2,-0.6 3,-0.1 -0.858 9.7-132.8-104.7 144.3 18.0 7.7 -3.0 62 285 A D - 0 0 113 -2,-0.3 2,-1.1 1,-0.2 -44,-0.2 0.167 61.5 -35.2 -72.5-167.8 20.8 8.0 -5.7 63 286 A D S S+ 0 0 113 -46,-0.2 2,-0.5 -47,-0.1 -1,-0.2 -0.422 74.9 160.2 -57.5 93.6 22.3 5.3 -7.9 64 287 A C - 0 0 33 -2,-1.1 -46,-0.1 -3,-0.1 -3,-0.0 -0.960 27.1-150.4-124.6 106.4 22.3 2.3 -5.5 65 288 A T >> - 0 0 34 -2,-0.5 4,-1.8 1,-0.1 3,-1.6 -0.177 44.8 -83.3 -60.4 169.4 22.5 -1.2 -7.1 66 289 A V H 3> S+ 0 0 14 37,-0.6 4,-1.2 39,-0.3 38,-0.1 0.799 130.7 62.4 -46.9 -36.5 20.8 -4.2 -5.3 67 290 A E H 34 S+ 0 0 111 36,-0.3 -1,-0.3 1,-0.2 4,-0.3 0.866 108.6 41.7 -59.2 -39.3 23.9 -4.5 -3.0 68 291 A Q H X4 S+ 0 0 86 -3,-1.6 3,-1.7 1,-0.2 4,-0.3 0.815 102.2 68.6 -79.4 -30.4 23.2 -1.0 -1.7 69 292 A I H >X S+ 0 0 23 -4,-1.8 3,-2.0 1,-0.3 4,-1.4 0.822 87.0 69.9 -59.3 -27.8 19.4 -1.7 -1.5 70 293 A Y H 3X S+ 0 0 86 -4,-1.2 4,-1.1 1,-0.3 -1,-0.3 0.848 88.3 63.5 -54.9 -32.7 20.3 -4.1 1.4 71 294 A E H <4 S+ 0 0 105 -3,-1.7 4,-0.3 -4,-0.3 -1,-0.3 0.629 104.4 46.7 -70.7 -10.6 21.2 -1.0 3.4 72 295 A I H <> S+ 0 0 13 -3,-2.0 4,-1.2 -4,-0.3 3,-0.4 0.756 99.8 66.3 -95.8 -31.9 17.4 0.0 3.2 73 296 A L H < S+ 0 0 37 -4,-1.4 4,-0.4 1,-0.2 -2,-0.2 0.830 103.9 47.1 -60.0 -33.3 16.1 -3.5 4.1 74 297 A K T >X S+ 0 0 108 -4,-1.1 4,-1.6 1,-0.2 3,-0.9 0.791 99.4 68.0 -76.2 -29.5 17.6 -3.0 7.7 75 298 A I H 3> S+ 0 0 53 -3,-0.4 4,-1.6 -4,-0.3 -2,-0.2 0.888 89.5 64.1 -61.8 -39.4 16.1 0.5 8.1 76 299 A Y H 3X S+ 0 0 13 -4,-1.2 4,-0.8 1,-0.2 5,-0.3 0.822 106.6 43.8 -53.0 -35.8 12.6 -0.9 8.2 77 300 A Q H <4 S+ 0 0 139 -3,-0.9 3,-0.4 -4,-0.4 -1,-0.2 0.885 108.4 57.3 -75.3 -42.2 13.5 -2.7 11.5 78 301 A L H < S+ 0 0 140 -4,-1.6 -2,-0.2 1,-0.2 -1,-0.2 0.732 102.7 57.3 -59.6 -26.6 15.4 0.4 12.9 79 302 A M H < S- 0 0 45 -4,-1.6 -1,-0.2 2,-0.1 3,-0.2 0.888 75.3-175.4 -71.8 -43.7 12.1 2.5 12.5 80 303 A D < - 0 0 110 -4,-0.8 2,-0.3 -3,-0.4 -3,-0.1 0.815 18.0-155.3 45.3 44.7 10.0 0.1 14.7 81 304 A H + 0 0 37 -5,-0.3 -1,-0.2 1,-0.2 -2,-0.1 -0.281 24.0 173.6 -54.8 111.3 6.8 2.2 13.9 82 305 A S S S+ 0 0 104 -2,-0.3 -1,-0.2 -3,-0.2 -2,-0.1 0.873 81.6 19.0 -85.4 -44.3 4.2 1.7 16.8 83 306 A N S S+ 0 0 126 -78,-0.0 2,-0.3 45,-0.0 -2,-0.1 0.825 100.0 95.8 -97.7 -43.9 1.5 4.3 15.7 84 307 A M + 0 0 11 1,-0.1 -79,-0.1 44,-0.0 -74,-0.1 -0.395 41.4 170.9 -55.7 113.8 2.4 4.8 11.9 85 308 A D + 0 0 31 -2,-0.3 2,-0.4 -80,-0.1 -1,-0.1 0.094 52.5 78.9-116.4 15.7 0.1 2.4 10.0 86 309 A C + 0 0 8 -81,-0.1 -74,-0.5 42,-0.1 2,-0.3 -0.984 47.7 147.2-130.6 135.2 1.0 3.8 6.4 87 310 A F - 0 0 4 -2,-0.4 44,-1.6 -76,-0.1 2,-0.4 -0.954 24.5-153.8-162.4 154.0 4.0 3.1 4.2 88 311 A I E -bc 13 131A 5 -76,-1.3 -74,-1.7 -2,-0.3 2,-0.6 -0.988 1.2-163.8-139.8 126.2 5.0 2.8 0.5 89 312 A C E -bc 14 132A 7 42,-2.8 44,-1.2 -2,-0.4 2,-0.6 -0.929 8.6-176.9-110.8 109.1 7.8 0.8 -1.2 90 313 A C E -bc 15 133A 18 -76,-0.8 -74,-0.7 -2,-0.6 2,-0.4 -0.928 6.9-173.9-110.8 107.8 8.6 1.8 -4.8 91 314 A I - 0 0 45 42,-1.0 44,-0.5 -2,-0.6 3,-0.0 -0.871 17.2-175.1-105.6 136.0 11.4 -0.4 -6.4 92 315 A L + 0 0 29 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-0.977 30.8-126.2-155.1 170.2 22.9 -8.7 -12.3 103 326 A T S S+ 0 0 86 -2,-0.3 -37,-0.6 -80,-0.2 -36,-0.3 0.958 109.5 18.6 -83.7 -64.7 24.7 -5.5 -11.4 104 327 A D S S+ 0 0 8 -39,-0.2 -80,-0.2 2,-0.1 -40,-0.1 0.767 131.5 47.2 -80.5 -27.4 21.9 -2.8 -11.9 105 328 A G S S- 0 0 1 -82,-0.6 2,-0.3 1,-0.2 -39,-0.3 0.881 113.5 -63.0 -75.9-102.2 19.0 -5.4 -11.7 106 329 A Q + 0 0 31 -6,-0.2 -4,-0.2 -41,-0.1 -1,-0.2 -0.976 33.0 179.6-155.9 147.2 19.3 -7.8 -8.7 107 330 A E + 0 0 99 -6,-0.3 -6,-0.2 -2,-0.3 -1,-0.1 0.247 68.3 79.2-124.9 7.1 21.6 -10.6 -7.5 108 331 A A S S- 0 0 13 -6,-0.0 2,-1.5 -7,-0.0 3,-0.1 -0.784 92.6 -90.8-123.5 156.7 19.7 -11.5 -4.3 109 332 A P >> - 0 0 60 0, 0.0 4,-2.1 0, 0.0 3,-1.6 -0.485 35.6-174.0 -72.0 89.7 16.6 -13.6 -3.4 110 333 A I H 3> S+ 0 0 26 -2,-1.5 4,-2.7 1,-0.3 5,-0.3 0.878 84.1 58.9 -48.8 -43.2 13.8 -10.9 -3.6 111 334 A Y H 34 S+ 0 0 112 1,-0.2 4,-0.4 2,-0.2 -1,-0.3 0.725 108.5 45.0 -62.0 -27.7 11.3 -13.5 -2.2 112 335 A E H <4 S+ 0 0 131 -3,-1.6 4,-0.3 2,-0.2 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