==== 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 TOXIN 25-OCT-05 2ERP . COMPND 2 MOLECULE: VASCULAR APOPTOSIS-INDUCING PROTEIN 1; . SOURCE 2 ORGANISM_SCIENTIFIC: CROTALUS ATROX; . AUTHOR S.TAKEDA,T.IGARASHI,S.ARAKI . 852 2 35 34 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 43238.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 517 60.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 46 5.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 78 9.2 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 . 3 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 9 1.1 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 . 1 0.1 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 . 68 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 99 11.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 160 18.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 15 1.8 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 0 2 0 3 1 0 0 0 0 4 2 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 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 . 8 13 5 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 . 10 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 1 185 A S 0 0 173 0, 0.0 2,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -22.8 48.5 -9.3 87.1 2 186 A N - 0 0 151 1,-0.0 2,-0.5 0, 0.0 0, 0.0 -0.366 360.0-125.4 -84.9 168.5 48.4 -10.5 83.5 3 187 A L - 0 0 59 -2,-0.1 -1,-0.0 4,-0.0 197,-0.0 -0.969 17.7-135.2-120.9 125.3 45.9 -9.3 80.8 4 188 A T > - 0 0 66 -2,-0.5 4,-2.7 1,-0.1 3,-0.5 -0.367 26.9-109.7 -74.9 156.3 43.7 -11.7 78.9 5 189 A P H > S+ 0 0 88 0, 0.0 4,-2.9 0, 0.0 5,-0.2 0.905 120.3 49.6 -49.5 -49.7 43.3 -11.4 75.1 6 190 A E H > S+ 0 0 113 2,-0.2 4,-1.7 1,-0.2 5,-0.1 0.826 112.5 49.0 -60.9 -34.2 39.7 -10.2 75.4 7 191 A Q H > S+ 0 0 36 -3,-0.5 4,-3.4 2,-0.2 5,-0.2 0.963 114.3 41.5 -71.2 -54.5 40.8 -7.6 78.0 8 192 A Q H X S+ 0 0 108 -4,-2.7 4,-2.8 1,-0.2 5,-0.2 0.924 115.2 53.5 -57.9 -44.1 43.6 -6.2 76.1 9 193 A R H X S+ 0 0 105 -4,-2.9 4,-1.3 -5,-0.3 -1,-0.2 0.890 112.3 44.6 -56.8 -42.5 41.4 -6.3 73.0 10 194 A Y H < S+ 0 0 10 -4,-1.7 3,-0.3 -5,-0.2 -2,-0.2 0.943 110.9 52.8 -67.8 -50.7 38.8 -4.4 74.9 11 195 A L H < S+ 0 0 23 -4,-3.4 -2,-0.2 1,-0.2 -1,-0.2 0.900 109.4 49.6 -52.2 -46.2 41.2 -1.9 76.3 12 196 A N H < S+ 0 0 122 -4,-2.8 -1,-0.2 -5,-0.2 -2,-0.2 0.845 87.7 105.1 -64.0 -35.5 42.6 -1.1 72.9 13 197 A A S < S- 0 0 34 -4,-1.3 2,-0.2 -3,-0.3 -3,-0.0 -0.159 84.7-107.5 -49.8 135.0 39.1 -0.6 71.5 14 198 A K - 0 0 77 194,-0.1 2,-0.3 1,-0.1 -1,-0.1 -0.496 38.5-134.3 -67.2 129.3 38.3 3.1 70.9 15 199 A K E -a 58 0A 4 42,-1.4 44,-2.5 -2,-0.2 2,-0.3 -0.707 21.7-172.0 -94.8 139.9 35.8 4.2 73.5 16 200 A Y E -a 59 0A 21 191,-3.0 2,-0.5 -2,-0.3 44,-0.2 -0.950 12.2-160.2-127.5 146.6 32.6 6.2 72.9 17 201 A V E -a 60 0A 2 42,-2.7 44,-2.8 -2,-0.3 2,-1.3 -0.864 6.7-159.4-129.7 97.0 30.1 7.8 75.2 18 202 A K E -a 61 0A 11 -2,-0.5 84,-1.8 42,-0.2 85,-1.6 -0.648 24.5-162.8 -77.0 96.7 26.8 8.6 73.6 19 203 A L E -ab 62 103A 0 42,-2.0 44,-2.1 -2,-1.3 45,-0.7 -0.621 15.6-162.1 -89.7 142.3 25.6 11.2 76.1 20 204 A F E -ab 64 104A 5 83,-2.5 85,-2.2 -2,-0.3 2,-0.3 -0.990 11.8-158.2-122.9 122.2 22.0 12.4 76.6 21 205 A L E -ab 65 105A 0 43,-2.3 45,-2.2 -2,-0.5 2,-0.4 -0.789 5.1-165.1-105.0 147.0 21.5 15.7 78.4 22 206 A V E -ab 66 106A 0 83,-2.4 85,-3.3 -2,-0.3 2,-0.4 -0.996 2.6-161.3-132.6 129.7 18.3 16.8 80.1 23 207 A A E -ab 67 107A 0 43,-2.1 45,-2.8 -2,-0.4 85,-0.2 -0.910 16.5-136.7-110.6 137.3 17.5 20.4 81.3 24 208 A D > - 0 0 0 83,-1.3 4,-1.6 -2,-0.4 3,-0.4 -0.294 30.8 -95.5 -86.5 174.0 14.8 21.0 83.9 25 209 A Y H > S+ 0 0 52 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.852 122.9 57.7 -57.8 -38.4 12.1 23.7 83.9 26 210 A I H > S+ 0 0 14 1,-0.2 4,-4.1 2,-0.2 -1,-0.2 0.894 102.9 54.0 -61.0 -39.3 14.2 26.0 86.1 27 211 A M H > S+ 0 0 0 -3,-0.4 4,-1.3 1,-0.2 -1,-0.2 0.918 107.2 53.1 -58.8 -41.7 17.0 25.9 83.4 28 212 A Y H <>S+ 0 0 39 -4,-1.6 5,-2.2 1,-0.2 6,-0.6 0.926 116.7 36.0 -58.5 -48.2 14.3 27.0 81.0 29 213 A L H ><5S+ 0 0 13 -4,-2.2 3,-2.0 3,-0.2 509,-0.2 0.866 109.4 64.4 -74.0 -36.9 13.3 30.0 83.1 30 214 A K H 3<5S+ 0 0 10 -4,-4.1 508,-2.6 1,-0.3 -1,-0.2 0.776 108.1 43.0 -57.5 -26.9 16.9 30.6 84.2 31 215 A Y T ><5S- 0 0 11 -4,-1.3 3,-0.9 -3,-0.3 -1,-0.3 -0.104 125.6 -96.6-112.7 35.7 17.7 31.4 80.6 32 216 A G T < 5 - 0 0 36 -3,-2.0 -3,-0.2 1,-0.2 -2,-0.1 0.862 68.7 -68.3 55.6 45.1 14.7 33.5 79.8 33 217 A R T 3 - 0 0 73 -3,-0.9 4,-2.4 -6,-0.6 3,-0.6 -0.841 33.9-172.2-112.0 92.9 15.1 30.8 75.4 35 219 A L H 3> S+ 0 0 53 -2,-0.7 4,-3.1 1,-0.3 5,-0.3 0.867 88.0 56.8 -51.2 -39.9 15.6 27.3 74.1 36 220 A T H 3> S+ 0 0 96 1,-0.2 4,-2.8 2,-0.2 -1,-0.3 0.911 108.4 47.4 -58.9 -41.8 18.4 28.5 71.9 37 221 A A H <> S+ 0 0 28 -3,-0.6 4,-2.5 -6,-0.2 -2,-0.2 0.937 112.9 47.6 -64.8 -47.4 20.2 29.8 75.1 38 222 A V H X S+ 0 0 0 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.910 114.6 46.4 -61.1 -43.4 19.5 26.6 77.0 39 223 A R H X S+ 0 0 89 -4,-3.1 4,-2.8 -5,-0.2 -2,-0.2 0.939 111.5 51.5 -63.9 -46.6 20.8 24.5 74.1 40 224 A T H X S+ 0 0 60 -4,-2.8 4,-3.2 -5,-0.3 -2,-0.2 0.891 108.8 52.6 -56.1 -41.9 23.8 26.7 73.7 41 225 A R H X S+ 0 0 18 -4,-2.5 4,-2.3 2,-0.2 -1,-0.2 0.970 111.6 43.9 -58.1 -56.1 24.5 26.3 77.4 42 226 A M H X S+ 0 0 0 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.848 114.1 52.8 -58.2 -35.8 24.4 22.5 77.1 43 227 A Y H X S+ 0 0 49 -4,-2.8 4,-1.8 2,-0.2 -2,-0.2 0.938 107.6 49.1 -66.7 -47.9 26.5 22.7 73.9 44 228 A D H X S+ 0 0 53 -4,-3.2 4,-0.8 1,-0.2 -2,-0.2 0.902 110.7 52.6 -58.1 -41.7 29.2 24.9 75.6 45 229 A I H >X S+ 0 0 0 -4,-2.3 4,-2.0 1,-0.2 3,-1.1 0.928 108.5 48.2 -61.0 -46.3 29.3 22.4 78.4 46 230 A V H 3X S+ 0 0 7 -4,-2.1 4,-2.4 1,-0.3 -1,-0.2 0.812 104.4 63.0 -64.7 -28.0 29.8 19.4 76.1 47 231 A N H 3< S+ 0 0 72 -4,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.742 109.2 39.6 -68.0 -23.7 32.5 21.5 74.4 48 232 A V H X S+ 0 0 0 -4,-2.0 4,-2.3 2,-0.2 3,-0.9 0.979 101.9 59.1 -64.7 -59.0 33.8 17.9 78.5 50 234 A T H 3X S+ 0 0 5 -4,-2.4 4,-1.8 1,-0.3 10,-0.2 0.867 106.9 45.0 -38.1 -60.4 34.8 16.3 75.2 51 235 A P H 3> S+ 0 0 38 0, 0.0 4,-0.9 0, 0.0 -1,-0.3 0.850 111.8 55.3 -58.8 -32.5 38.4 17.5 75.3 52 236 A I H X< S+ 0 0 2 -4,-1.0 3,-0.5 -3,-0.9 -2,-0.2 0.962 113.7 38.8 -63.5 -51.8 38.6 16.5 79.0 53 237 A Y H ><>S+ 0 0 0 -4,-2.3 5,-2.0 1,-0.2 3,-1.5 0.652 100.7 73.2 -74.8 -17.0 37.6 12.9 78.3 54 238 A H H ><5S+ 0 0 54 -4,-1.8 3,-3.0 -5,-0.3 -1,-0.2 0.900 87.2 63.4 -65.3 -36.2 39.5 12.5 75.0 55 239 A R T <<5S+ 0 0 146 -4,-0.9 -1,-0.3 -3,-0.5 -2,-0.2 0.650 101.7 55.3 -59.7 -11.0 42.7 12.4 77.0 56 240 A M T < 5S- 0 0 23 -3,-1.5 -1,-0.3 2,-0.3 -2,-0.2 0.111 122.2-108.9-107.0 18.0 41.0 9.2 78.3 57 241 A N T < 5S+ 0 0 58 -3,-3.0 -42,-1.4 1,-0.2 2,-0.6 0.745 82.8 130.8 60.0 21.4 40.5 7.7 74.9 58 242 A I E < -a 15 0A 2 -5,-2.0 2,-0.8 -8,-0.1 -2,-0.3 -0.934 47.4-157.3-112.6 119.4 36.9 8.5 75.5 59 243 A H E -a 16 0A 10 -44,-2.5 -42,-2.7 -2,-0.6 2,-0.4 -0.834 9.9-154.3 -98.9 105.9 34.9 10.3 72.8 60 244 A V E -a 17 0A 2 -2,-0.8 2,-0.4 -44,-0.2 -42,-0.2 -0.645 15.8-178.5 -80.4 130.1 31.9 12.0 74.3 61 245 A A E -a 18 0A 6 -44,-2.8 -42,-2.0 -2,-0.4 2,-1.0 -0.976 26.7-133.8-136.5 121.8 29.1 12.6 71.8 62 246 A L E +a 19 0A 0 -2,-0.4 155,-1.7 -44,-0.2 156,-1.0 -0.615 32.1 166.2 -75.4 103.9 25.8 14.3 72.4 63 247 A V E + 0 0 6 -44,-2.1 2,-0.2 -2,-1.0 -43,-0.2 0.183 63.6 20.8-103.5 14.8 23.2 12.0 70.9 64 248 A G E -a 20 0A 0 -45,-0.7 -43,-2.3 35,-0.0 2,-0.3 -0.851 51.9-172.1 180.0 142.8 20.2 13.6 72.6 65 249 A L E -a 21 0A 35 -2,-0.2 2,-0.5 -45,-0.2 -43,-0.2 -0.954 7.6-178.8-146.2 121.1 18.9 16.7 74.3 66 250 A E E -a 22 0A 30 -45,-2.2 -43,-2.1 -2,-0.3 2,-0.6 -0.968 6.7-166.2-127.1 118.2 15.6 17.1 76.1 67 251 A I E -a 23 0A 22 -2,-0.5 2,-2.6 -45,-0.2 3,-0.2 -0.904 17.5-144.7-107.0 118.4 14.5 20.4 77.6 68 252 A W + 0 0 4 -45,-2.8 -40,-0.1 -2,-0.6 -1,-0.0 -0.325 42.3 151.9 -76.8 59.7 11.6 20.3 80.0 69 253 A S S S+ 0 0 40 -2,-2.6 -1,-0.2 1,-0.2 3,-0.1 0.630 73.3 38.2 -66.6 -15.9 10.3 23.7 78.8 70 254 A N S S- 0 0 135 1,-0.4 2,-0.3 -3,-0.2 -1,-0.2 0.856 131.3 -26.8-100.2 -52.1 6.7 22.8 79.7 71 255 A T - 0 0 86 0, 0.0 -1,-0.4 0, 0.0 2,-0.2 -0.976 66.9 -95.3-161.9 152.6 7.0 20.8 82.9 72 256 A D - 0 0 47 -2,-0.3 -48,-0.1 1,-0.1 -5,-0.0 -0.491 21.5-145.2 -73.5 142.8 9.5 18.6 84.7 73 257 A K S S+ 0 0 99 -2,-0.2 2,-0.3 2,-0.0 -1,-0.1 0.668 87.4 28.7 -80.5 -18.1 9.1 14.9 84.1 74 258 A I S S- 0 0 20 16,-0.0 2,-1.3 0, 0.0 9,-0.1 -0.879 98.0 -94.3-134.4 166.1 10.2 14.2 87.7 75 259 A I - 0 0 124 -2,-0.3 2,-0.8 -3,-0.0 11,-0.1 -0.707 39.3-154.9 -87.6 95.2 10.0 16.2 90.9 76 260 A V + 0 0 23 -2,-1.3 2,-0.2 10,-0.1 383,-0.1 -0.598 22.1 179.2 -72.6 108.0 13.3 18.0 91.0 77 261 A Q - 0 0 57 -2,-0.8 6,-0.1 2,-0.3 33,-0.1 -0.608 46.1-105.7-107.4 169.9 13.9 18.7 94.7 78 262 A S S S+ 0 0 25 -2,-0.2 35,-3.3 34,-0.1 2,-1.0 0.583 98.6 95.9 -69.3 -8.2 16.8 20.3 96.6 79 263 A S > - 0 0 35 33,-0.2 4,-2.3 1,-0.2 3,-0.4 -0.735 58.6-169.1 -88.4 99.6 17.7 16.8 97.6 80 264 A A H > S+ 0 0 5 -2,-1.0 4,-3.2 1,-0.2 5,-0.3 0.921 86.3 55.3 -51.6 -49.3 20.4 15.6 95.2 81 265 A D H > S+ 0 0 119 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.868 112.1 42.1 -53.5 -42.4 20.1 12.1 96.4 82 266 A V H > S+ 0 0 59 -3,-0.4 4,-2.2 2,-0.2 -1,-0.2 0.809 114.6 51.1 -76.5 -30.7 16.4 11.9 95.8 83 267 A T H X S+ 0 0 0 -4,-2.3 4,-2.8 2,-0.2 5,-0.3 0.887 107.2 53.2 -72.8 -39.8 16.7 13.7 92.4 84 268 A L H X S+ 0 0 8 -4,-3.2 4,-2.5 -5,-0.2 -2,-0.2 0.896 112.7 45.1 -61.3 -40.2 19.4 11.3 91.3 85 269 A D H X S+ 0 0 63 -4,-1.3 4,-2.0 -5,-0.3 5,-0.2 0.922 113.6 48.0 -69.8 -45.7 17.1 8.4 92.1 86 270 A L H X S+ 0 0 53 -4,-2.2 4,-1.8 2,-0.2 -2,-0.2 0.898 117.6 42.4 -61.8 -42.2 14.0 9.9 90.5 87 271 A F H X S+ 0 0 0 -4,-2.8 4,-3.0 2,-0.2 5,-0.2 0.907 111.4 54.0 -71.1 -44.4 15.9 10.8 87.3 88 272 A A H X S+ 0 0 1 -4,-2.5 4,-1.7 -5,-0.3 -2,-0.2 0.848 114.2 42.8 -58.9 -35.5 17.8 7.5 87.2 89 273 A K H X S+ 0 0 90 -4,-2.0 4,-1.0 2,-0.2 -1,-0.2 0.833 111.6 53.7 -80.1 -34.6 14.4 5.7 87.3 90 274 A W H X>S+ 0 0 22 -4,-1.8 4,-3.6 -5,-0.2 5,-1.3 0.932 110.6 47.7 -63.6 -46.7 12.8 8.1 84.9 91 275 A R H <>S+ 0 0 3 -4,-3.0 5,-2.8 1,-0.2 6,-0.4 0.961 111.2 49.1 -57.5 -54.6 15.6 7.4 82.4 92 276 A A H <5S+ 0 0 26 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.707 126.1 30.7 -59.3 -20.2 15.4 3.7 82.8 93 277 A T H <5S+ 0 0 101 -4,-1.0 -2,-0.2 -3,-0.4 4,-0.2 0.866 135.2 13.4-104.0 -60.5 11.6 4.0 82.3 94 278 A D T <5S+ 0 0 64 -4,-3.6 4,-0.4 -5,-0.2 -3,-0.2 0.897 126.0 44.7 -88.2 -46.8 10.7 6.9 80.0 95 279 A L T >> - 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