==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER APOPTOSIS INHIBITOR 11-JUL-00 1F9X . COMPND 2 MOLECULE: INHIBITOR OF APOPTOSIS PROTEIN XIAP; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR C.SUN,M.CAI,R.P.MEADOWS,S.W.FESIK . 117 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8491.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 64 54.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 6 5.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.9 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 . 10 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 9 7.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 32 27.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 4.3 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 0 0 0 3 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 0 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 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 1 240 A M 0 0 173 0, 0.0 10,-0.1 0, 0.0 9,-0.1 0.000 360.0 360.0 360.0 -28.5 -56.7 128.7 29.3 2 241 A S - 0 0 77 1,-0.1 2,-3.0 2,-0.1 3,-0.2 -0.246 360.0 -12.9 73.4-165.2 -53.5 127.9 31.3 3 242 A D S S- 0 0 126 1,-0.2 -1,-0.1 2,-0.1 4,-0.1 -0.367 126.7 -53.7 -69.3 70.2 -52.6 129.7 34.5 4 243 A A > - 0 0 32 -2,-3.0 3,-0.9 2,-0.1 -1,-0.2 0.886 52.6-124.6 58.0 106.3 -55.2 132.5 33.9 5 244 A V G > >S+ 0 0 58 1,-0.3 5,-1.7 -3,-0.2 3,-0.5 0.796 116.4 45.4 -47.4 -31.3 -54.8 134.1 30.5 6 245 A S G 3 5S+ 0 0 112 1,-0.2 -1,-0.3 3,-0.1 -2,-0.1 0.766 114.9 46.2 -84.4 -28.5 -54.5 137.4 32.4 7 246 A S G < 5S+ 0 0 95 -3,-0.9 -1,-0.2 -4,-0.1 -2,-0.2 -0.039 121.8 35.4-103.7 30.3 -52.1 136.0 34.9 8 247 A D T < 5S- 0 0 33 -3,-0.5 -3,-0.2 -4,-0.1 -2,-0.1 0.296 113.0 -77.6-139.1 -86.6 -49.9 134.3 32.3 9 248 A R T 5 - 0 0 163 -4,-0.3 5,-0.3 -5,-0.1 -3,-0.1 0.215 57.6 -94.6 176.2 35.0 -49.3 135.8 28.9 10 249 A N S > + 0 0 72 42,-1.0 4,-1.0 1,-0.1 3,-0.8 -0.571 7.1 154.7-122.3 65.7 -29.8 132.8 20.8 21 260 A P T 34 + 0 0 60 0, 0.0 4,-0.4 0, 0.0 -1,-0.1 0.675 59.9 82.2 -67.4 -16.4 -27.4 134.5 18.4 22 261 A S T 34 S+ 0 0 112 1,-0.2 3,-0.4 2,-0.2 6,-0.1 0.947 112.8 18.3 -52.0 -51.0 -24.7 131.9 19.2 23 262 A M T <4 S+ 0 0 97 -3,-0.8 -1,-0.2 1,-0.2 39,-0.0 0.521 117.5 71.3 -97.4 -8.6 -26.3 129.6 16.7 24 263 A A S < S+ 0 0 6 -4,-1.0 -2,-0.2 4,-0.1 -1,-0.2 0.217 73.7 133.4 -90.6 14.9 -28.3 132.3 14.9 25 264 A D S > S- 0 0 105 -4,-0.4 4,-1.6 -3,-0.4 5,-0.2 0.255 72.7 -94.5 -50.4-173.8 -25.0 133.7 13.4 26 265 A Y H > S+ 0 0 101 2,-0.2 4,-1.8 1,-0.2 5,-0.3 0.994 125.1 35.6 -71.5 -66.1 -24.7 134.5 9.7 27 266 A E H > S+ 0 0 156 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.682 114.7 62.2 -63.5 -15.0 -23.3 131.3 8.3 28 267 A A H > S+ 0 0 19 2,-0.2 4,-1.5 3,-0.1 -1,-0.2 0.942 107.4 41.7 -74.2 -47.0 -25.5 129.5 10.9 29 268 A R H >X S+ 0 0 7 -4,-1.6 3,-1.5 -3,-0.3 4,-1.5 0.995 117.3 43.8 -59.9 -70.3 -28.7 130.8 9.4 30 269 A I H 3X>S+ 0 0 29 -4,-1.8 5,-0.9 1,-0.3 4,-0.6 0.856 110.7 59.3 -44.9 -40.8 -27.8 130.4 5.7 31 270 A F H ><5S+ 0 0 159 -4,-1.2 3,-1.1 -5,-0.3 -1,-0.3 0.881 100.3 55.5 -57.5 -40.5 -26.4 127.0 6.6 32 271 A T H <<5S+ 0 0 26 -4,-1.5 -1,-0.2 -3,-1.5 -2,-0.2 0.931 104.7 52.1 -58.4 -47.7 -29.9 126.0 8.0 33 272 A F H 3<5S- 0 0 1 -4,-1.5 3,-0.4 1,-0.1 4,-0.4 0.599 95.0-148.5 -65.7 -11.6 -31.5 126.8 4.6 34 273 A G T <<5 - 0 0 18 -3,-1.1 -3,-0.2 -4,-0.6 -2,-0.1 0.812 60.8 -69.0 44.6 35.6 -28.9 124.6 2.9 35 274 A T S S+ 0 0 90 -2,-0.1 4,-1.4 1,-0.1 -1,-0.2 0.635 79.1 122.7 65.7 13.2 -31.1 137.2 -1.4 41 280 A N H >> + 0 0 15 -3,-0.4 4,-1.9 3,-0.2 5,-0.9 0.787 55.8 72.7 -74.9 -28.2 -31.9 135.2 1.7 42 281 A K H >5S+ 0 0 128 1,-0.2 4,-1.8 2,-0.2 5,-0.2 0.967 113.8 18.4 -48.6 -74.8 -28.3 135.4 2.9 43 282 A E H >5S+ 0 0 116 3,-0.2 4,-1.6 2,-0.2 5,-0.3 0.865 122.8 63.7 -68.0 -38.0 -28.3 139.1 3.9 44 283 A Q H X5S+ 0 0 23 -4,-1.4 4,-1.4 2,-0.2 3,-0.2 0.967 118.3 20.8 -49.5 -69.2 -32.0 139.4 4.1 45 284 A L H X>S+ 0 0 1 -4,-1.9 4,-2.2 2,-0.2 5,-1.5 0.938 119.2 61.3 -69.0 -50.0 -32.6 136.9 6.9 46 285 A A H <> +AB 50 66A 0 5,-3.1 5,-1.3 -2,-0.3 4,-0.8 -0.779 27.7 179.8 -93.3 125.5 -37.0 134.4 13.8 62 301 A F T 45S+ 0 0 45 -13,-1.2 -42,-1.0 -2,-0.6 -1,-0.1 0.581 83.8 48.0 -95.1 -14.0 -34.5 132.7 16.0 63 302 A H T 45S+ 0 0 27 -14,-0.9 -44,-0.6 -44,-0.2 27,-0.3 0.679 120.4 35.2 -98.7 -22.0 -33.4 135.9 17.8 64 303 A C T 45S- 0 0 3 -15,-0.4 25,-0.3 2,-0.2 -2,-0.2 0.760 105.0-122.1-100.3 -31.9 -36.9 137.3 18.5 65 304 A G T <5 + 0 0 12 -4,-0.8 2,-0.3 1,-0.3 -49,-0.2 0.888 68.5 107.5 92.2 45.8 -38.6 133.9 19.2 66 305 A G E < -B 61 0A 15 -5,-1.3 -5,-3.1 -51,-0.1 -1,-0.3 -0.995 58.7-121.9-152.7 151.7 -41.5 133.9 16.6 67 306 A G E +B 60 0A 23 -2,-0.3 -7,-0.2 -7,-0.3 2,-0.0 -0.705 19.1 177.5-101.2 152.7 -42.4 132.1 13.4 68 307 A L - 0 0 2 -9,-1.6 -9,-0.4 -2,-0.3 3,-0.1 -0.513 15.2-180.0-148.9 72.2 -43.2 133.5 10.0 69 308 A T - 0 0 71 -11,-0.2 2,-0.5 1,-0.1 -11,-0.1 -0.229 40.6 -87.9 -71.3 164.0 -43.8 130.8 7.5 70 309 A D + 0 0 57 1,-0.1 -1,-0.1 -14,-0.1 -12,-0.1 -0.630 66.8 134.4 -78.6 122.5 -44.7 131.5 3.8 71 310 A W + 0 0 203 -2,-0.5 -1,-0.1 2,-0.2 -2,-0.1 0.030 63.1 44.4-155.8 28.5 -48.4 131.9 3.3 72 311 A K S S- 0 0 112 1,-0.2 -1,-0.1 3,-0.1 8,-0.0 -0.951 97.9 -50.2-163.6 170.4 -48.5 135.0 1.0 73 312 A P S S- 0 0 84 0, 0.0 -1,-0.2 0, 0.0 -2,-0.2 0.180 81.6 -69.0 -43.7 170.6 -46.8 136.6 -2.1 74 313 A S S S+ 0 0 93 -4,-0.1 -2,-0.0 3,-0.0 0, 0.0 0.744 74.2 169.5 -32.3 -39.3 -43.0 136.8 -2.3 75 314 A E - 0 0 65 1,-0.1 -3,-0.1 4,-0.1 5,-0.0 0.727 42.1-110.7 17.2 100.3 -43.3 139.5 0.4 76 315 A D >> - 0 0 96 1,-0.2 4,-2.6 4,-0.1 3,-0.7 -0.184 22.9-116.1 -50.7 139.0 -39.7 140.1 1.5 77 316 A P H 3> S+ 0 0 25 0, 0.0 4,-2.4 0, 0.0 5,-0.3 0.770 115.1 63.6 -49.5 -26.8 -39.1 138.7 5.1 78 317 A W H 3> S+ 0 0 23 2,-0.2 4,-1.8 3,-0.2 5,-0.1 0.964 111.3 32.1 -63.4 -53.6 -38.4 142.4 6.1 79 318 A E H <> S+ 0 0 78 -3,-0.7 4,-1.6 2,-0.2 5,-0.2 0.930 121.9 49.6 -69.0 -48.4 -42.0 143.5 5.3 80 319 A Q H X S+ 0 0 35 -4,-2.6 4,-1.4 1,-0.2 -2,-0.2 0.874 112.6 47.3 -59.7 -42.1 -43.6 140.2 6.2 81 320 A H H X S+ 0 0 0 -4,-2.4 4,-1.5 -5,-0.3 3,-0.3 0.956 108.5 52.3 -67.0 -51.1 -41.8 140.0 9.6 82 321 A A H < S+ 0 0 0 -4,-1.8 -1,-0.2 -5,-0.3 -2,-0.2 0.831 111.6 48.4 -54.2 -34.6 -42.5 143.6 10.7 83 322 A K H < S+ 0 0 113 -4,-1.6 -1,-0.3 1,-0.2 -2,-0.2 0.831 102.6 63.0 -75.1 -32.7 -46.2 143.0 10.0 84 323 A W H < S- 0 0 125 -4,-1.4 -2,-0.2 -3,-0.3 -1,-0.2 0.847 130.3 -33.7 -59.8 -36.4 -46.1 139.7 11.9 85 324 A Y < - 0 0 154 -4,-1.5 -1,-0.2 -3,-0.1 3,-0.2 -0.603 40.2-148.8 172.4 124.2 -45.3 141.6 15.1 86 325 A P S S+ 0 0 41 0, 0.0 2,-1.1 0, 0.0 6,-0.1 0.614 87.4 84.4 -76.7 -11.7 -43.2 144.8 16.0 87 326 A G + 0 0 59 -5,-0.1 2,-0.6 4,-0.1 -5,-0.0 -0.254 58.7 123.9 -87.2 50.4 -42.3 143.3 19.3 88 327 A C > - 0 0 11 -2,-1.1 4,-2.4 1,-0.2 5,-0.3 -0.933 54.5-146.8-115.8 108.1 -39.3 141.3 17.9 89 328 A K H >> S+ 0 0 90 -2,-0.6 4,-2.2 -25,-0.3 3,-1.1 0.871 93.6 29.3 -32.9 -88.7 -36.0 142.0 19.7 90 329 A Y H 3> S+ 0 0 44 -27,-0.3 4,-1.3 1,-0.3 -1,-0.2 0.893 115.2 63.3 -43.2 -53.7 -33.4 141.7 16.9 91 330 A L H 3> S+ 0 0 0 1,-0.3 4,-1.2 2,-0.2 3,-0.5 0.860 111.2 37.6 -40.4 -48.5 -35.9 142.8 14.2 92 331 A L H X - 0 0 25 -4,-2.5 4,-1.7 1,-0.2 3,-0.6 0.205 39.4 -66.1 52.3 177.9 -35.7 150.3 14.7 97 336 A Q H 3> S+ 0 0 115 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.707 128.1 73.4 -73.0 -19.4 -39.4 150.9 15.2 98 337 A E H 3> S+ 0 0 164 2,-0.2 4,-1.2 1,-0.2 -1,-0.2 0.905 105.9 36.8 -60.3 -39.4 -39.3 153.8 12.7 99 338 A Y H + 0 0 69 -2,-0.9 2,-1.5 -3,-0.4 3,-0.9 -0.118 65.4 171.6 166.4 -52.1 -60.6 152.0 -0.3 115 354 A R T 3 S- 0 0 175 -3,-0.4 -3,-0.1 1,-0.2 -4,-0.1 -0.312 84.5 -19.4 55.2 -86.3 -63.1 152.5 2.5 116 355 A T T 3 0 0 133 -2,-1.5 -1,-0.2 1,-0.1 -2,-0.0 -0.236 360.0 360.0-147.2 50.6 -63.0 156.3 2.5 117 356 A T < 0 0 139 -3,-0.9 -2,-0.1 -6,-0.0 -1,-0.1 0.379 360.0 360.0-115.0 360.0 -59.8 157.4 0.7