==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 03-NOV-09 3KJQ . COMPND 2 MOLECULE: CASPASE-8; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR S.KAMTEKAR,W.WATT,B.C.FINZEL,M.S.HARRIS,J.BLINN,Z.WANG,A.G.T . 242 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12302.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 158 65.3 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 . 19 7.9 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 . 16 6.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 25 10.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 55 22.7 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 . 2 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 . 1 1 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 0 171 0, 0.0 2,-0.2 0, 0.0 235,-0.1 0.000 360.0 360.0 360.0 138.4 -2.8 10.0 12.9 2 224 A K - 0 0 162 233,-0.1 235,-2.6 1,-0.0 2,-0.3 -0.478 360.0-169.2 -68.5 139.7 -1.4 13.2 11.5 3 225 A V B -a 237 0A 67 233,-0.2 235,-0.2 -2,-0.2 2,-0.1 -0.987 26.4-105.2-135.2 141.1 0.6 15.3 14.0 4 226 A Y - 0 0 7 233,-2.5 235,-0.3 -2,-0.3 2,-0.1 -0.423 44.2-103.0 -65.4 135.9 1.9 18.9 13.8 5 227 A Q + 0 0 113 -2,-0.1 -1,-0.1 1,-0.1 3,-0.1 -0.412 46.4 171.6 -54.4 132.4 5.6 19.1 13.2 6 228 A M + 0 0 14 -2,-0.1 -1,-0.1 -3,-0.1 5,-0.1 -0.532 37.4 103.8-151.3 70.8 7.2 19.9 16.6 7 229 A K + 0 0 153 4,-0.1 4,-0.1 3,-0.1 -1,-0.1 0.464 42.9 108.9-134.8 -11.7 11.0 19.7 16.2 8 230 A S - 0 0 22 3,-0.2 78,-0.1 -3,-0.1 77,-0.1 -0.372 69.0-113.2 -68.0 151.2 12.5 23.3 16.0 9 231 A K S S+ 0 0 131 1,-0.2 2,-0.2 75,-0.1 48,-0.1 -0.944 112.6 31.5-128.5 114.5 14.5 24.6 19.0 10 232 A P S S- 0 0 42 0, 0.0 47,-0.2 0, 0.0 -1,-0.2 0.555 88.7-151.0 -67.7 158.8 13.0 26.8 20.2 11 233 A R - 0 0 4 45,-2.8 75,-2.9 1,-0.3 76,-1.6 0.825 65.0 -68.5 -59.7 -35.3 9.6 25.3 19.3 12 234 A G - 0 0 0 44,-0.4 46,-2.7 73,-0.2 -1,-0.3 -0.945 66.8 -51.3 165.0-177.7 8.4 28.9 19.2 13 235 A Y E -b 58 0B 34 74,-0.4 76,-2.4 -2,-0.3 2,-0.5 -0.646 37.6-160.9 -81.1 141.7 7.7 31.9 21.4 14 236 A C E -bc 59 89B 0 44,-2.6 46,-2.4 -2,-0.3 2,-0.2 -0.925 13.5-157.3-120.1 102.2 5.5 31.4 24.5 15 237 A L E -bc 60 90B 0 74,-2.9 76,-3.0 -2,-0.5 2,-0.4 -0.582 6.2-165.7 -75.6 139.4 4.2 34.9 25.6 16 238 A I E -bc 61 91B 1 44,-2.1 46,-2.6 -2,-0.2 2,-0.7 -0.959 4.1-168.3-125.8 110.3 3.1 35.3 29.2 17 239 A I E -bc 62 92B 0 74,-3.1 76,-3.0 -2,-0.4 2,-0.7 -0.907 13.3-171.0 -94.0 111.8 1.1 38.5 30.0 18 240 A N E -bc 63 93B 8 44,-3.0 46,-2.7 -2,-0.7 2,-0.7 -0.833 4.1-170.6-116.8 94.2 1.0 38.6 33.8 19 241 A N + 0 0 0 74,-2.6 3,-0.1 -2,-0.7 19,-0.1 -0.759 25.9 141.3 -94.9 114.4 -1.3 41.2 35.3 20 242 A H + 0 0 59 -2,-0.7 18,-1.9 1,-0.2 2,-0.8 0.770 52.8 66.0-111.4 -50.1 -1.0 41.8 39.0 21 243 A N + 0 0 70 16,-0.2 3,-0.3 1,-0.1 -1,-0.2 -0.731 44.0 169.0 -95.3 107.5 -1.4 45.5 39.8 22 244 A F > + 0 0 0 -2,-0.8 4,-2.4 1,-0.2 5,-0.2 0.024 38.8 119.9-104.0 27.1 -4.9 47.0 39.1 23 245 A A H > S+ 0 0 39 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.898 76.4 52.3 -54.3 -42.8 -4.4 50.3 40.9 24 246 A K H > S+ 0 0 56 -3,-0.3 4,-3.0 1,-0.2 5,-0.3 0.898 108.2 50.6 -65.7 -40.4 -5.0 52.2 37.7 25 247 A A H > S+ 0 0 0 79,-1.6 4,-2.2 2,-0.2 7,-0.3 0.927 111.4 48.2 -57.9 -48.5 -8.3 50.3 37.1 26 248 A R H < S+ 0 0 84 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.868 117.0 44.7 -60.3 -36.8 -9.4 51.2 40.7 27 249 A E H < S+ 0 0 141 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.909 125.3 25.5 -72.6 -46.0 -8.4 54.8 40.0 28 250 A K H < S+ 0 0 145 -4,-3.0 -3,-0.2 1,-0.1 -2,-0.2 0.693 107.1 66.5-102.5 -21.7 -9.9 55.4 36.6 29 251 A V >< - 0 0 23 -4,-2.2 3,-1.7 -5,-0.3 -1,-0.1 -0.885 63.6-153.5-113.2 106.6 -12.8 53.0 36.0 30 252 A P G > S+ 0 0 115 0, 0.0 3,-1.6 0, 0.0 -1,-0.2 0.839 93.7 47.7 -43.3 -54.3 -15.9 53.6 38.2 31 253 A K G 3 S+ 0 0 129 1,-0.3 3,-0.3 2,-0.1 -5,-0.1 0.699 108.9 56.4 -66.8 -18.9 -17.3 50.1 38.2 32 254 A L G X + 0 0 15 -3,-1.7 3,-1.7 -7,-0.3 -1,-0.3 0.087 67.7 125.2 -98.9 23.0 -13.8 48.6 39.0 33 255 A H T < S+ 0 0 127 -3,-1.6 -1,-0.2 1,-0.3 -2,-0.1 0.856 83.9 29.5 -45.1 -43.0 -13.4 50.7 42.2 34 256 A S T 3 S+ 0 0 81 -3,-0.3 -1,-0.3 -9,-0.1 2,-0.3 0.058 80.3 138.9-115.1 23.5 -12.8 47.6 44.3 35 257 A I < - 0 0 23 -3,-1.7 2,-0.2 -13,-0.1 -9,-0.1 -0.562 50.2-130.9 -67.0 130.8 -11.2 45.2 41.7 36 258 A R - 0 0 199 -2,-0.3 2,-0.1 1,-0.1 -1,-0.1 -0.521 13.2-101.6 -92.9 151.3 -8.3 43.5 43.6 37 259 A D - 0 0 43 -2,-0.2 2,-1.7 1,-0.1 -16,-0.2 -0.418 40.1-115.0 -62.1 147.6 -4.7 43.0 42.8 38 260 A R > - 0 0 3 -18,-1.9 3,-2.0 -19,-0.1 4,-0.2 -0.443 38.0-166.4 -92.0 64.4 -4.1 39.4 41.6 39 261 A N T 3 S+ 0 0 91 -2,-1.7 143,-0.1 1,-0.3 141,-0.0 -0.216 71.4 24.9 -52.5 134.2 -1.9 38.2 44.4 40 262 A G T >> S+ 0 0 6 140,-0.1 3,-1.8 141,-0.1 4,-0.6 0.318 80.2 120.7 91.3 -7.0 -0.1 34.9 43.6 41 263 A T H X> + 0 0 2 -3,-2.0 4,-2.2 1,-0.3 3,-0.9 0.829 66.0 67.5 -60.7 -30.9 -0.2 35.4 39.8 42 264 A H H 3> S+ 0 0 123 1,-0.2 4,-2.4 2,-0.2 -1,-0.3 0.785 91.6 62.5 -57.0 -26.9 3.6 35.2 39.7 43 265 A L H <> S+ 0 0 61 -3,-1.8 4,-1.8 2,-0.2 -1,-0.2 0.854 106.0 44.5 -68.2 -34.2 3.2 31.5 40.8 44 266 A D H S+ 0 0 0 -4,-2.8 5,-2.8 2,-0.2 -1,-0.2 0.796 113.3 55.7 -80.1 -25.7 7.2 25.5 28.5 53 275 A E H ><5S+ 0 0 114 -4,-2.6 3,-1.7 -5,-0.3 -1,-0.2 0.911 107.0 52.3 -64.9 -40.6 11.0 26.0 28.9 54 276 A E H 3<5S+ 0 0 90 -4,-2.1 -2,-0.2 -5,-0.3 -1,-0.2 0.834 107.7 51.6 -59.9 -34.9 11.2 22.3 29.6 55 277 A L T 3<5S- 0 0 4 -4,-1.1 -1,-0.3 -5,-0.1 -2,-0.2 0.190 126.2-104.4 -89.3 13.6 9.2 21.7 26.4 56 278 A H T < 5S+ 0 0 51 -3,-1.7 -45,-2.8 1,-0.2 -44,-0.4 0.691 71.4 141.7 73.4 26.9 11.7 23.9 24.5 57 279 A F < - 0 0 9 -5,-2.8 2,-0.7 -47,-0.2 -1,-0.2 -0.651 54.3-121.0 -90.0 153.6 9.8 27.2 24.0 58 280 A E E -b 13 0B 72 -46,-2.7 -44,-2.6 -2,-0.2 2,-0.3 -0.871 32.3-139.5 -93.4 112.3 11.3 30.6 24.3 59 281 A I E -b 14 0B 20 -2,-0.7 -44,-0.2 -46,-0.2 -46,-0.1 -0.585 19.2-172.7 -83.2 131.7 9.5 32.4 27.1 60 282 A K E -b 15 0B 62 -46,-2.4 -44,-2.1 -2,-0.3 2,-0.2 -0.821 13.3-168.3-122.8 87.2 8.6 36.1 26.7 61 283 A P E -b 16 0B 81 0, 0.0 2,-0.3 0, 0.0 -44,-0.2 -0.517 10.1-177.4 -80.9 145.8 7.2 37.4 29.9 62 284 A H E -b 17 0B 64 -46,-2.6 -44,-3.0 -2,-0.2 2,-0.3 -0.932 12.5-153.9-142.5 116.0 5.4 40.8 30.3 63 285 A D E -b 18 0B 107 -2,-0.3 -44,-0.2 1,-0.2 -46,-0.0 -0.713 64.3 -0.8 -95.5 140.3 4.2 42.0 33.7 64 286 A D S S- 0 0 58 -46,-2.7 2,-0.4 -2,-0.3 -1,-0.2 0.938 77.2-174.5 56.7 66.4 1.4 44.4 34.4 65 287 A C - 0 0 4 -3,-0.3 39,-2.1 4,-0.0 -1,-0.2 -0.777 19.4-144.0-101.2 132.8 0.1 45.3 31.0 66 288 A T > - 0 0 34 -2,-0.4 4,-2.3 37,-0.3 5,-0.2 -0.360 40.8 -98.5 -74.8 167.3 -2.5 47.9 30.0 67 289 A V H > S+ 0 0 8 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.923 126.6 50.5 -57.4 -43.5 -4.8 47.0 27.1 68 290 A E H > S+ 0 0 139 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.896 109.3 50.8 -63.0 -39.4 -2.6 49.2 24.8 69 291 A Q H > S+ 0 0 83 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.886 108.5 52.9 -63.2 -38.2 0.5 47.5 26.0 70 292 A I H X S+ 0 0 0 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.940 111.1 45.8 -62.5 -47.4 -1.1 44.1 25.3 71 293 A Y H X S+ 0 0 47 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.876 111.0 53.6 -62.4 -39.1 -1.9 45.1 21.7 72 294 A E H X S+ 0 0 119 -4,-2.4 4,-1.8 2,-0.2 -2,-0.2 0.926 110.2 47.1 -60.0 -45.9 1.6 46.5 21.3 73 295 A I H X S+ 0 0 10 -4,-2.4 4,-1.7 1,-0.2 -2,-0.2 0.924 113.0 47.9 -62.7 -46.8 3.1 43.2 22.4 74 296 A L H X S+ 0 0 1 -4,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.883 108.3 55.1 -66.0 -36.3 0.8 41.1 20.1 75 297 A K H X S+ 0 0 132 -4,-2.3 4,-2.2 2,-0.2 -1,-0.2 0.911 104.3 55.3 -61.4 -40.3 1.6 43.4 17.1 76 298 A I H X S+ 0 0 82 -4,-1.8 4,-0.6 1,-0.2 -1,-0.2 0.941 113.2 40.7 -57.4 -46.4 5.3 42.7 17.6 77 299 A Y H < S+ 0 0 18 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.797 110.4 57.5 -77.1 -27.9 4.7 39.0 17.4 78 300 A Q H < S+ 0 0 32 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.866 113.6 40.6 -63.3 -39.6 2.2 39.3 14.5 79 301 A L H < S+ 0 0 122 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.515 96.3 105.4 -87.5 -7.1 4.9 41.1 12.5 80 302 A M S < S- 0 0 52 -4,-0.6 2,-0.8 -5,-0.2 45,-0.2 -0.344 79.5-110.6 -72.4 155.6 7.7 38.8 13.7 81 303 A D + 0 0 104 1,-0.1 3,-0.3 43,-0.1 -1,-0.1 -0.800 36.8 172.7 -89.4 107.3 9.2 36.1 11.4 82 304 A H > + 0 0 0 -2,-0.8 3,-2.3 1,-0.2 -1,-0.1 0.161 40.3 119.1 -96.7 16.3 8.2 32.7 12.7 83 305 A S T 3 S+ 0 0 68 1,-0.3 -1,-0.2 3,-0.0 -2,-0.0 0.829 78.1 45.7 -53.4 -36.5 9.6 30.8 9.7 84 306 A N T 3 S+ 0 0 140 -3,-0.3 -1,-0.3 -76,-0.0 2,-0.3 0.340 102.2 85.7 -91.1 6.6 12.0 28.8 11.9 85 307 A M < - 0 0 16 -3,-2.3 -73,-0.2 40,-0.2 -74,-0.1 -0.711 56.8-161.7-104.5 157.7 9.3 28.1 14.6 86 308 A D S S+ 0 0 12 -75,-2.9 2,-0.3 -2,-0.3 -74,-0.2 0.463 74.7 17.2-110.7 -7.7 6.8 25.2 14.7 87 309 A C - 0 0 0 -76,-1.6 -74,-0.4 42,-0.2 2,-0.3 -0.971 56.0-148.9-161.0 157.8 4.4 26.7 17.2 88 310 A F E - d 0 131B 0 42,-1.7 44,-2.8 -2,-0.3 2,-0.4 -0.985 15.1-172.2-138.0 134.1 3.2 29.9 18.9 89 311 A I E -cd 14 132B 0 -76,-2.4 -74,-2.9 -2,-0.3 2,-0.4 -0.977 5.0-174.1-127.5 137.5 1.8 30.1 22.5 90 312 A C E -cd 15 133B 0 42,-2.6 44,-2.2 -2,-0.4 2,-0.5 -0.962 4.6-169.1-134.7 119.3 0.2 33.1 24.3 91 313 A C E -cd 16 134B 0 -76,-3.0 -74,-3.1 -2,-0.4 2,-0.5 -0.928 1.8-166.4-110.8 127.4 -0.8 33.0 27.9 92 314 A I E -cd 17 135B 1 42,-2.9 44,-3.1 -2,-0.5 2,-0.6 -0.974 5.1-175.4-118.0 121.7 -2.9 35.8 29.5 93 315 A L E +cd 18 136B 0 -76,-3.0 -74,-2.6 -2,-0.5 2,-0.3 -0.964 39.5 100.2-115.7 110.6 -3.3 36.0 33.3 94 316 A S S S- 0 0 2 42,-2.6 44,-0.2 -2,-0.6 2,-0.2 -0.958 71.9 -70.5-166.5 178.1 -5.7 38.7 34.3 95 317 A H + 0 0 31 7,-0.3 7,-2.7 -2,-0.3 2,-0.3 -0.537 56.2 167.0 -76.6 161.2 -9.1 39.8 35.4 96 318 A G E -G 101 0C 10 5,-0.3 44,-0.4 -2,-0.2 2,-0.2 -0.947 25.4-156.2-160.6-178.1 -11.9 39.5 32.8 97 319 A D E > -G 100 0C 47 3,-1.3 3,-2.4 -2,-0.3 43,-0.2 -0.828 62.4 -24.6-151.1-173.7 -15.6 39.5 32.0 98 320 A K T 3 S- 0 0 91 1,-0.3 42,-0.1 -2,-0.2 41,-0.1 -0.177 129.5 -18.5 -50.3 110.6 -17.9 38.1 29.3 99 321 A G T 3 S+ 0 0 34 1,-0.2 12,-2.5 40,-0.1 13,-0.4 0.441 124.0 82.5 74.4 5.4 -15.7 37.7 26.2 100 322 A I E < -GH 97 110C 14 -3,-2.4 -3,-1.3 10,-0.3 2,-0.3 -0.866 59.2-145.8-136.5 162.0 -12.9 40.0 27.4 101 323 A I E -GH 96 109C 0 8,-2.1 8,-2.7 -2,-0.3 2,-0.4 -0.943 27.6-124.0-122.0 153.3 -9.9 40.4 29.5 102 324 A Y E - 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