==== 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 APOPTOSIS, TOXIN 02-AUG-06 2DW1 . COMPND 2 MOLECULE: CATROCOLLASTATIN; . SOURCE 2 ORGANISM_SCIENTIFIC: CROTALUS ATROX; . AUTHOR S.TAKEDA,T.IGARASHI,S.ARAKI . 830 2 34 34 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 40661.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 504 60.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 50 6.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 84 10.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 12 1.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 2 0.2 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 . 70 8.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 95 11.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 145 17.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 13 1.6 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 5 0 2 0 0 2 0 0 0 2 2 2 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 0 0 4 0 0 0 2 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 . 6 12 5 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 ANTIPARALLEL BRIDGES PER LADDER . 9 4 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 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 1 195 A N 0 0 133 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 106.7 35.6 84.0 18.4 2 196 A P + 0 0 88 0, 0.0 2,-0.1 0, 0.0 0, 0.0 0.811 360.0 90.9 -67.4 -32.0 32.1 83.7 20.0 3 197 A F - 0 0 32 44,-0.1 2,-0.3 1,-0.0 44,-0.2 -0.379 62.5-152.4 -72.4 140.9 30.6 81.9 17.0 4 198 A R E -a 47 0A 40 42,-1.6 44,-2.7 -2,-0.1 2,-0.4 -0.706 13.8-138.7-104.1 161.2 30.6 78.1 16.5 5 199 A F E -a 48 0A 6 190,-3.0 2,-0.7 -2,-0.3 44,-0.2 -0.982 8.6-159.5-129.7 130.5 30.6 76.5 13.1 6 200 A V E -a 49 0A 1 42,-3.1 44,-2.3 -2,-0.4 2,-1.1 -0.905 9.9-155.7-107.4 107.0 28.6 73.6 11.8 7 201 A E E -a 50 0A 14 -2,-0.7 84,-2.0 187,-0.2 85,-1.5 -0.729 26.3-160.5 -82.4 102.6 30.2 72.1 8.7 8 202 A L E -ab 51 92A 0 42,-2.7 44,-3.2 -2,-1.1 45,-1.2 -0.671 21.7-168.0 -96.7 142.8 27.1 70.4 7.2 9 203 A V E -ab 53 93A 3 83,-1.9 85,-1.8 -2,-0.3 2,-0.4 -0.989 12.6-159.6-122.8 129.0 26.7 67.6 4.6 10 204 A L E -ab 54 94A 0 43,-2.1 45,-2.5 -2,-0.4 2,-0.4 -0.866 1.3-160.2-110.9 148.2 23.3 67.0 3.0 11 205 A V E -ab 55 95A 0 83,-2.2 85,-3.4 -2,-0.4 2,-0.5 -0.994 4.2-154.0-129.0 132.7 22.2 63.8 1.4 12 206 A V E -ab 56 96A 0 43,-2.5 45,-2.5 -2,-0.4 85,-0.2 -0.934 15.1-138.0-112.2 120.2 19.3 63.6 -1.1 13 207 A D >> - 0 0 0 83,-2.6 4,-1.3 -2,-0.5 3,-1.0 -0.265 25.8-108.8 -71.2 159.0 17.5 60.2 -1.5 14 208 A K H 3> S+ 0 0 79 1,-0.3 4,-2.5 2,-0.2 5,-0.2 0.752 114.7 69.3 -61.5 -25.7 16.5 58.8 -4.9 15 209 A A H 3> S+ 0 0 29 1,-0.2 4,-2.3 2,-0.2 -1,-0.3 0.921 103.5 44.8 -58.5 -40.9 12.8 59.5 -4.1 16 210 A M H <> S+ 0 0 3 -3,-1.0 4,-1.9 80,-0.2 -1,-0.2 0.861 108.3 55.3 -71.0 -38.3 13.6 63.2 -4.3 17 211 A V H <>S+ 0 0 10 -4,-1.3 5,-3.0 2,-0.2 6,-0.3 0.960 113.1 43.1 -60.1 -47.1 15.7 62.9 -7.5 18 212 A T H ><5S+ 0 0 97 -4,-2.5 3,-2.4 1,-0.2 -2,-0.2 0.927 108.9 56.9 -63.6 -45.4 12.8 61.2 -9.2 19 213 A K H 3<5S+ 0 0 105 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.854 109.8 47.7 -54.3 -34.0 10.3 63.7 -7.7 20 214 A N T ><5S- 0 0 12 -4,-1.9 3,-2.1 -3,-0.2 -1,-0.3 0.162 116.8-113.7 -95.6 19.3 12.3 66.4 -9.3 21 215 A N T < 5 - 0 0 157 -3,-2.4 -3,-0.2 1,-0.3 -2,-0.1 0.792 67.7 -65.2 54.6 32.1 12.5 64.7 -12.7 22 216 A G T 3 + 0 0 68 -3,-2.1 4,-2.0 -6,-0.3 3,-0.3 -0.463 14.8 174.9 -71.6 80.9 17.0 68.0 -12.3 24 218 A L H > S+ 0 0 54 -2,-2.2 4,-2.5 1,-0.2 -1,-0.2 0.802 76.6 57.1 -58.8 -31.8 20.1 67.8 -10.2 25 219 A D H > S+ 0 0 113 2,-0.2 4,-2.9 1,-0.2 -1,-0.2 0.920 107.4 48.6 -65.9 -41.7 20.8 71.5 -10.8 26 220 A K H > S+ 0 0 107 -3,-0.3 4,-1.7 2,-0.2 -2,-0.2 0.885 110.9 50.0 -63.7 -41.1 17.4 72.3 -9.3 27 221 A I H X S+ 0 0 4 -4,-2.0 4,-1.9 2,-0.2 -2,-0.2 0.954 114.3 45.3 -61.7 -49.3 18.0 70.0 -6.3 28 222 A K H X S+ 0 0 78 -4,-2.5 4,-2.5 1,-0.2 5,-0.2 0.926 110.3 51.2 -61.1 -49.5 21.4 71.7 -5.7 29 223 A T H X S+ 0 0 63 -4,-2.9 4,-1.8 1,-0.2 -1,-0.2 0.878 111.4 51.8 -57.5 -34.5 20.1 75.3 -6.1 30 224 A R H X S+ 0 0 22 -4,-1.7 4,-2.6 -5,-0.2 -1,-0.2 0.870 107.3 49.7 -71.2 -37.9 17.4 74.4 -3.6 31 225 A M H X S+ 0 0 2 -4,-1.9 4,-2.9 2,-0.2 5,-0.3 0.917 108.9 53.1 -67.0 -42.0 19.8 73.0 -1.0 32 226 A Y H X S+ 0 0 51 -4,-2.5 4,-1.9 1,-0.2 -2,-0.2 0.936 111.0 48.4 -57.1 -45.1 22.0 76.1 -1.3 33 227 A E H X S+ 0 0 91 -4,-1.8 4,-1.9 -5,-0.2 -2,-0.2 0.965 112.6 46.9 -59.1 -53.8 18.8 78.2 -0.6 34 228 A I H X S+ 0 0 0 -4,-2.6 4,-2.1 1,-0.2 -2,-0.2 0.913 112.9 47.2 -56.7 -48.3 17.7 76.1 2.3 35 229 A V H X S+ 0 0 6 -4,-2.9 4,-2.5 1,-0.2 -1,-0.2 0.848 107.4 58.7 -64.8 -32.7 21.1 76.0 4.1 36 230 A N H X S+ 0 0 41 -4,-1.9 4,-1.9 -5,-0.3 -1,-0.2 0.920 108.4 44.9 -61.5 -43.9 21.4 79.8 3.5 37 231 A T H X S+ 0 0 25 -4,-1.9 4,-3.1 2,-0.2 -2,-0.2 0.882 109.7 55.0 -67.9 -38.5 18.2 80.3 5.5 38 232 A V H X S+ 0 0 0 -4,-2.1 4,-1.6 2,-0.2 -2,-0.2 0.933 107.8 50.5 -59.3 -44.5 19.3 77.9 8.2 39 233 A N H < S+ 0 0 6 -4,-2.5 4,-0.3 1,-0.2 -1,-0.2 0.910 111.9 46.7 -59.3 -45.0 22.5 80.0 8.6 40 234 A E H >< S+ 0 0 112 -4,-1.9 3,-1.4 1,-0.2 4,-0.4 0.910 109.6 55.2 -63.2 -41.3 20.4 83.1 8.9 41 235 A I H 3< S+ 0 0 8 -4,-3.1 4,-0.3 1,-0.2 3,-0.3 0.803 106.3 53.2 -62.2 -28.5 18.1 81.3 11.4 42 236 A Y T 3<>S+ 0 0 0 -4,-1.6 5,-1.8 -3,-0.2 -1,-0.2 0.381 76.9 92.8 -92.9 6.0 21.1 80.5 13.5 43 237 A R T X 5S+ 0 0 101 -3,-1.4 3,-3.1 -4,-0.3 -1,-0.2 0.972 84.3 57.6 -57.8 -53.4 22.6 84.0 14.0 44 238 A Y T 3 5S+ 0 0 118 -4,-0.4 -1,-0.2 1,-0.3 -2,-0.1 0.868 105.1 50.3 -40.7 -50.2 20.6 84.4 17.2 45 239 A M T 3 5S- 0 0 0 -4,-0.3 -1,-0.3 2,-0.2 -2,-0.2 0.399 113.2-117.5 -74.7 2.7 22.3 81.2 18.6 46 240 A Y T < 5S+ 0 0 111 -3,-3.1 -42,-1.6 1,-0.2 2,-0.4 0.937 76.6 124.3 57.5 46.3 25.8 82.5 17.8 47 241 A I E < -a 4 0A 0 -5,-1.8 2,-0.4 -44,-0.2 -1,-0.2 -0.999 48.8-152.1-137.6 136.7 26.2 79.5 15.4 48 242 A H E -a 5 0A 5 -44,-2.7 -42,-3.1 -2,-0.4 2,-0.5 -0.895 4.9-154.8-112.4 144.1 27.0 79.5 11.7 49 243 A V E +a 6 0A 3 -2,-0.4 2,-0.4 -44,-0.2 -42,-0.2 -0.974 14.2 177.1-121.4 124.3 26.0 76.8 9.3 50 244 A A E -a 7 0A 6 -44,-2.3 -42,-2.7 -2,-0.5 2,-0.6 -0.992 28.5-130.6-130.2 128.3 28.0 76.1 6.1 51 245 A L E +a 8 0A 1 -2,-0.4 154,-1.8 -44,-0.2 155,-0.7 -0.655 32.8 165.6 -76.0 114.1 27.3 73.4 3.5 52 246 A V E + 0 0 2 -44,-3.2 2,-0.3 -2,-0.6 -43,-0.2 0.395 63.5 23.9-110.6 1.0 30.6 71.6 2.9 53 247 A G E -a 9 0A 9 -45,-1.2 -43,-2.1 35,-0.0 2,-0.3 -0.970 52.0-174.1-164.5 147.7 29.2 68.6 1.1 54 248 A L E -a 10 0A 38 -2,-0.3 2,-0.5 -45,-0.2 -43,-0.2 -0.896 7.7-173.7-149.9 114.3 26.2 67.4 -0.9 55 249 A E E -a 11 0A 32 -45,-2.5 -43,-2.5 -2,-0.3 2,-0.6 -0.946 6.3-162.3-116.5 123.8 25.6 63.9 -2.1 56 250 A I E -a 12 0A 28 -2,-0.5 2,-2.1 -45,-0.2 3,-0.3 -0.907 10.5-153.7-107.1 113.7 22.8 63.0 -4.4 57 251 A W + 0 0 5 -45,-2.5 -40,-0.1 -2,-0.6 -43,-0.1 -0.370 41.2 146.2 -82.1 60.1 21.8 59.3 -4.6 58 252 A S S S+ 0 0 54 -2,-2.1 -1,-0.2 1,-0.1 3,-0.1 0.719 71.7 45.8 -69.5 -22.4 20.4 59.6 -8.1 59 253 A N S S- 0 0 120 1,-0.3 2,-0.3 -3,-0.3 -1,-0.1 0.953 131.8 -33.9 -83.0 -61.7 21.6 56.1 -9.0 60 254 A E - 0 0 134 0, 0.0 -1,-0.3 0, 0.0 2,-0.1 -0.978 64.8 -95.9-159.6 151.2 20.4 54.2 -5.9 61 255 A D - 0 0 54 -2,-0.3 -48,-0.1 1,-0.1 -5,-0.0 -0.422 24.1-142.8 -69.3 145.5 19.9 54.9 -2.1 62 256 A K S S+ 0 0 107 -2,-0.1 2,-0.3 2,-0.0 -1,-0.1 0.349 88.0 27.8 -92.5 6.7 22.8 53.7 -0.0 63 257 A I S S- 0 0 21 16,-0.0 2,-0.8 2,-0.0 9,-0.0 -0.920 100.0 -92.9-151.2 165.6 20.5 52.6 2.7 64 258 A T - 0 0 86 -2,-0.3 2,-0.9 7,-0.1 11,-0.1 -0.797 36.7-148.5 -90.7 112.9 16.9 51.5 2.6 65 259 A V - 0 0 12 -2,-0.8 4,-0.1 10,-0.1 -4,-0.0 -0.721 24.3-179.1 -83.7 107.6 14.8 54.6 3.1 66 260 A K - 0 0 79 -2,-0.9 6,-0.2 2,-0.3 33,-0.0 -0.758 41.4-119.8-108.3 154.1 11.6 53.5 4.9 67 261 A P S S+ 0 0 61 0, 0.0 35,-3.1 0, 0.0 2,-1.2 0.602 93.7 96.3 -65.3 -8.1 8.5 55.5 6.1 68 262 A E > - 0 0 98 33,-0.2 4,-2.0 1,-0.2 3,-0.4 -0.720 68.2-158.6 -86.6 96.5 9.5 54.2 9.6 69 263 A A H > S+ 0 0 12 -2,-1.2 4,-2.7 1,-0.2 5,-0.3 0.849 83.7 52.9 -42.4 -56.0 11.5 57.2 10.9 70 264 A G H > S+ 0 0 19 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.912 109.8 47.8 -51.3 -50.9 13.4 55.5 13.6 71 265 A Y H > S+ 0 0 83 -3,-0.4 4,-2.3 1,-0.2 -1,-0.2 0.948 114.4 47.3 -55.8 -51.4 14.7 52.7 11.3 72 266 A T H X S+ 0 0 0 -4,-2.0 4,-2.2 -6,-0.2 -1,-0.2 0.855 110.8 49.3 -62.9 -37.7 15.8 55.3 8.7 73 267 A L H X S+ 0 0 0 -4,-2.7 4,-2.5 -5,-0.2 -1,-0.2 0.928 112.7 49.1 -67.5 -42.9 17.5 57.7 11.1 74 268 A N H X S+ 0 0 55 -4,-2.3 4,-2.0 -5,-0.3 -2,-0.2 0.891 113.0 45.5 -61.8 -44.3 19.5 54.8 12.6 75 269 A A H X S+ 0 0 18 -4,-2.3 4,-3.2 2,-0.2 5,-0.2 0.922 112.9 50.3 -68.0 -43.4 20.6 53.4 9.2 76 270 A F H X S+ 0 0 0 -4,-2.2 4,-2.9 1,-0.2 -2,-0.2 0.930 110.3 51.2 -58.8 -45.2 21.5 56.9 7.9 77 271 A G H X S+ 0 0 0 -4,-2.5 4,-2.1 2,-0.2 -1,-0.2 0.891 112.0 46.4 -57.9 -43.0 23.5 57.4 11.1 78 272 A E H X S+ 0 0 71 -4,-2.0 4,-3.0 2,-0.2 5,-0.3 0.932 113.3 48.5 -64.9 -49.1 25.4 54.1 10.6 79 273 A W H X>S+ 0 0 18 -4,-3.2 4,-1.8 1,-0.2 5,-0.9 0.895 111.1 51.2 -58.3 -41.5 26.0 54.8 7.0 80 274 A R H <>S+ 0 0 2 -4,-2.9 5,-2.9 -5,-0.2 6,-0.4 0.917 114.0 44.2 -62.4 -42.9 27.3 58.2 7.9 81 275 A K H <5S+ 0 0 80 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.896 121.5 36.4 -69.8 -42.3 29.7 56.8 10.5 82 276 A T H <5S+ 0 0 88 -4,-3.0 -1,-0.2 -5,-0.1 -2,-0.2 0.578 136.3 9.5 -90.3 -10.7 31.0 53.9 8.4 83 277 A D T >X5S+ 0 0 47 -4,-1.8 4,-1.3 -5,-0.3 3,-0.8 0.513 121.9 42.7-128.5 -82.4 31.1 55.6 5.1 84 278 A L H >> + 0 0 8 32,-1.3 3,-2.8 -3,-0.3 33,-0.2 0.284 23.8 152.8-124.5 9.4 24.7 64.5 19.6 113 307 A M T 3 S+ 0 0 10 31,-1.8 -21,-0.1 1,-0.3 80,-0.1 -0.106 77.2 9.7 -43.2 135.6 26.7 67.1 17.7 114 308 A a T 3 S+ 0 0 35 -23,-1.2 -1,-0.3 1,-0.3 -22,-0.1 0.250 88.5 139.1 75.1 -12.5 30.0 65.6 16.4 115 309 A H <> - 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