==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 04-DEC-04 2BF6 . COMPND 2 MOLECULE: EXO-ALPHA-SIALIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: CLOSTRIDIUM PERFRINGENS; . AUTHOR S.NEWSTEAD,G.L.TAYLOR . 448 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17848.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 268 59.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 3 0.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 169 37.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 13 2.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.9 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 . 35 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 35 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 7 1.6 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+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 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 RESIDUES PER ALPHA HELIX . 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 PARALLEL BRIDGES PER LADDER . 2 6 5 5 3 1 3 3 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 0 3 3 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 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 1 243 A V > 0 0 121 0, 0.0 3,-2.2 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 154.1 91.4 -31.2 3.5 2 244 A E T 3 + 0 0 192 1,-0.3 3,-0.1 442,-0.0 0, 0.0 -0.346 360.0 15.0 -57.6 128.2 91.0 -33.2 6.7 3 245 A G T 3 S+ 0 0 54 1,-0.4 -1,-0.3 -2,-0.1 442,-0.2 0.264 90.5 136.8 90.9 -8.5 90.3 -30.9 9.7 4 246 A A < - 0 0 32 -3,-2.2 2,-0.5 440,-0.2 -1,-0.4 -0.478 39.5-154.5 -70.0 145.0 89.5 -27.9 7.5 5 247 A V + 0 0 49 -2,-0.1 437,-1.9 -3,-0.1 2,-0.2 -0.987 32.9 148.0-125.5 125.1 86.5 -25.9 8.7 6 248 A K B -A 441 0A 78 -2,-0.5 435,-0.2 435,-0.2 -2,-0.0 -0.789 40.0-143.3-144.9 98.8 84.3 -23.7 6.5 7 249 A T - 0 0 55 433,-2.5 3,-0.1 -2,-0.2 -2,-0.0 -0.298 24.2 -98.1 -66.5 153.5 80.8 -23.9 8.0 8 250 A E - 0 0 160 1,-0.1 -1,-0.1 431,-0.1 430,-0.1 -0.504 56.4 -93.7 -65.5 135.4 77.7 -23.9 5.8 9 251 A P - 0 0 61 0, 0.0 2,-0.4 0, 0.0 430,-0.2 -0.207 36.8-155.5 -58.8 143.3 76.4 -20.3 5.7 10 252 A V E -B 438 0A 69 428,-1.9 428,-2.4 -3,-0.1 2,-1.6 -0.935 21.7-124.3-112.9 139.0 73.7 -19.3 8.2 11 253 A D E +B 437 0A 84 -2,-0.4 426,-0.2 426,-0.2 3,-0.1 -0.624 33.5 176.4 -82.8 85.9 71.3 -16.5 7.4 12 254 A L E S+ 0 0 2 -2,-1.6 2,-0.3 424,-1.3 -1,-0.2 0.839 75.5 20.5 -64.5 -35.5 72.1 -14.4 10.5 13 255 A F E S+B 436 0A 0 423,-1.3 423,-2.5 -3,-0.2 -1,-0.1 -0.978 81.1 152.0-128.1 150.1 69.8 -11.7 9.2 14 256 A H > - 0 0 61 -2,-0.3 3,-2.3 421,-0.2 6,-0.3 -0.969 53.2 -59.6-167.5 160.7 67.1 -12.3 6.5 15 257 A P T 3 S+ 0 0 46 0, 0.0 6,-0.3 0, 0.0 3,-0.1 -0.255 122.8 23.1 -52.5 133.4 63.8 -10.9 5.4 16 258 A G T > S+ 0 0 46 4,-2.4 3,-2.1 1,-0.4 2,-0.2 0.077 85.0 129.1 94.8 -22.8 61.2 -11.2 8.2 17 259 A F G X S- 0 0 17 -3,-2.3 3,-2.1 3,-0.4 -1,-0.4 -0.528 93.5 -3.8 -65.8 129.1 63.8 -11.3 11.0 18 260 A L G 3 S- 0 0 50 1,-0.3 -1,-0.3 -2,-0.2 3,-0.1 0.743 127.1 -73.0 54.9 25.7 62.6 -8.6 13.5 19 261 A N G < S+ 0 0 151 -3,-2.1 2,-0.5 1,-0.2 -1,-0.3 0.795 98.3 138.6 58.5 33.2 59.9 -7.9 10.9 20 262 A S < - 0 0 1 -3,-2.1 -4,-2.4 -6,-0.3 -3,-0.4 -0.920 44.9-157.2-105.9 130.9 62.4 -6.2 8.6 21 263 A S S S+ 0 0 52 -2,-0.5 2,-0.3 23,-0.3 23,-0.2 0.770 75.8 27.6 -71.3 -27.0 62.1 -6.9 4.9 22 264 A N E -E 43 0B 17 21,-1.1 21,-1.6 24,-0.2 2,-0.3 -0.938 59.7-168.8-139.7 159.1 65.7 -6.0 4.1 23 265 A Y E +E 42 0B 0 410,-1.9 2,-0.3 -2,-0.3 19,-0.2 -0.992 13.1 159.3-147.2 144.7 69.2 -6.0 5.7 24 266 A R E +E 41 0B 26 17,-1.7 17,-2.9 -2,-0.3 62,-0.2 -0.977 41.3 48.6-155.6 162.8 72.6 -4.5 4.8 25 267 A I E - 0 0 2 -2,-0.3 62,-0.4 15,-0.2 -1,-0.2 0.997 63.9-146.2 78.9 73.8 75.9 -3.4 6.2 26 268 A P E - 0 0 0 0, 0.0 2,-0.3 0, 0.0 14,-0.2 -0.421 18.2-178.3 -76.6 146.3 77.4 -6.1 8.6 27 269 A A E -E 39 0B 0 12,-2.2 12,-2.1 -2,-0.2 2,-0.4 -0.994 6.5-177.8-135.9 139.9 79.5 -5.5 11.6 28 270 A L E +E 38 0B 0 -2,-0.3 2,-0.3 388,-0.2 10,-0.2 -0.995 6.0 166.3-146.0 132.1 80.9 -8.4 13.7 29 271 A F E -E 37 0B 13 8,-2.2 8,-2.9 -2,-0.4 2,-0.5 -0.993 28.8-139.5-152.4 138.0 82.9 -8.3 16.9 30 272 A K E -E 36 0B 56 -2,-0.3 6,-0.2 6,-0.2 388,-0.1 -0.882 28.6-141.3 -99.3 122.6 84.1 -10.7 19.6 31 273 A T > - 0 0 1 4,-3.0 3,-1.9 -2,-0.5 60,-0.0 -0.258 28.9-100.8 -77.2 169.7 83.9 -9.2 23.1 32 274 A K T 3 S+ 0 0 106 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.792 125.1 56.9 -64.3 -26.2 86.5 -9.7 25.8 33 275 A E T 3 S- 0 0 122 63,-0.1 -1,-0.3 2,-0.1 -3,-0.0 0.593 123.2-105.9 -77.9 -10.0 84.0 -12.2 27.4 34 276 A G S < S+ 0 0 13 -3,-1.9 31,-0.4 1,-0.3 2,-0.2 0.489 73.3 140.1 99.6 -1.5 84.0 -14.2 24.2 35 277 A T - 0 0 7 29,-0.1 -4,-3.0 30,-0.1 2,-0.5 -0.584 47.6-134.2 -76.6 141.0 80.5 -13.1 23.0 36 278 A L E -EF 30 62B 1 26,-2.6 26,-2.3 -2,-0.2 2,-0.5 -0.823 17.9-165.3 -93.0 132.9 79.9 -12.4 19.3 37 279 A I E -EF 29 61B 0 -8,-2.9 -8,-2.2 -2,-0.5 2,-0.5 -0.981 3.9-172.2-114.1 125.9 78.0 -9.2 18.6 38 280 A A E -EF 28 60B 0 22,-2.7 22,-2.6 -2,-0.5 2,-0.3 -0.986 4.7-175.0-116.8 125.9 76.6 -8.8 15.1 39 281 A S E +EF 27 59B 0 -12,-2.1 -12,-2.2 -2,-0.5 2,-0.3 -0.821 8.9 163.0-119.0 162.5 75.1 -5.5 14.1 40 282 A I E - F 0 58B 0 18,-1.7 18,-2.5 -2,-0.3 2,-0.6 -0.984 42.5 -93.8-165.8 158.1 73.3 -4.6 10.9 41 283 A D E -EF 24 57B 0 -17,-2.9 -17,-1.7 -2,-0.3 2,-1.0 -0.827 28.0-151.0 -85.3 121.6 71.0 -2.1 9.2 42 284 A A E -EF 23 56B 0 14,-3.1 14,-2.4 -2,-0.6 2,-0.8 -0.835 17.6-162.7 -89.3 96.1 67.4 -3.3 9.4 43 285 A R E > -EF 22 55B 0 -21,-1.6 -21,-1.1 -2,-1.0 3,-0.7 -0.805 6.1-169.6 -92.6 109.5 66.2 -1.6 6.2 44 286 A R T 3 S+ 0 0 59 10,-2.2 -23,-0.3 -2,-0.8 -1,-0.1 0.677 74.6 38.4 -82.0 -20.4 62.5 -1.5 6.4 45 287 A H T 3 S- 0 0 125 1,-0.4 -1,-0.2 9,-0.2 2,-0.2 -0.112 124.1 -59.5-125.4 39.8 61.4 -0.4 2.9 46 288 A G S < S- 0 0 21 -3,-0.7 -1,-0.4 1,-0.1 -24,-0.2 -0.685 72.4 -62.9 110.5-173.1 63.8 -2.2 0.5 47 289 A G S S+ 0 0 21 -2,-0.2 -1,-0.1 -3,-0.1 6,-0.1 0.493 85.3 123.4 -87.5 -8.6 67.6 -2.1 0.2 48 290 A A - 0 0 46 4,-0.2 -3,-0.2 -3,-0.2 2,-0.1 -0.174 60.4-114.2 -64.3 152.7 68.1 1.6 -0.7 49 291 A D > - 0 0 79 1,-0.1 3,-1.7 4,-0.1 -1,-0.1 -0.326 55.8 -46.2 -69.4 160.7 70.3 4.0 1.2 50 292 A A T 3 S+ 0 0 8 1,-0.3 61,-0.5 2,-0.1 -1,-0.1 -0.336 120.3 36.1 -52.5 140.1 69.0 6.9 3.1 51 293 A P T 3 S+ 0 0 29 0, 0.0 2,-1.3 0, 0.0 57,-0.3 -0.987 114.2 60.1 -91.7 3.8 67.1 9.1 2.3 52 294 A N S < S+ 0 0 113 -3,-1.7 2,-0.3 56,-0.1 -4,-0.2 -0.267 108.7 33.8 -89.7 49.0 65.0 6.5 0.4 53 295 A N S S- 0 0 0 -2,-1.3 2,-0.4 28,-0.3 -4,-0.1 -0.969 75.2-113.1-171.0-177.2 64.2 4.3 3.3 54 296 A D - 0 0 21 -2,-0.3 -10,-2.2 -8,-0.2 2,-0.4 -0.930 42.1-172.8-137.5 107.8 63.6 4.0 7.0 55 297 A I E -F 43 0B 0 -2,-0.4 29,-2.0 -12,-0.2 23,-0.4 -0.927 10.0-174.7-118.6 130.8 66.5 2.2 8.6 56 298 A D E -F 42 0B 4 -14,-2.4 -14,-3.1 -2,-0.4 2,-0.5 -0.776 28.9-111.9-113.6 161.3 66.9 0.9 12.2 57 299 A T E -FG 41 76B 0 19,-2.2 18,-2.6 -2,-0.3 19,-1.0 -0.858 33.4-170.1 -98.8 126.0 69.9 -0.7 13.9 58 300 A A E -FG 40 74B 0 -18,-2.5 -18,-1.7 -2,-0.5 2,-0.4 -0.882 3.0-166.2-114.7 151.8 69.6 -4.4 14.9 59 301 A V E -FG 39 73B 0 14,-2.4 14,-1.7 -2,-0.3 2,-0.3 -0.998 5.9-172.5-135.6 137.2 71.9 -6.5 17.0 60 302 A R E -F 38 0B 27 -22,-2.6 -22,-2.7 -2,-0.4 2,-0.3 -0.947 11.8-155.2-122.1 152.2 72.2 -10.3 17.6 61 303 A R E -F 37 0B 16 -2,-0.3 9,-2.6 -24,-0.2 2,-0.4 -0.943 9.0-165.8-123.5 148.7 74.5 -12.0 20.2 62 304 A S E -F 36 0B 1 -26,-2.3 -26,-2.6 -2,-0.3 3,-0.5 -0.970 7.7-178.5-131.7 120.8 76.1 -15.4 20.5 63 305 A E S S+ 0 0 129 -2,-0.4 6,-0.1 -28,-0.2 -1,-0.1 0.387 79.5 62.7 -92.3 -1.7 77.5 -16.5 23.8 64 306 A D S > S- 0 0 56 4,-0.5 3,-0.6 -28,-0.1 -1,-0.2 -0.041 123.2 -86.8-116.6 30.7 78.7 -19.9 22.3 65 307 A G T 3 S- 0 0 26 -3,-0.5 -2,-0.1 -31,-0.4 356,-0.1 0.743 86.8 -51.4 79.2 23.7 81.2 -18.8 19.8 66 308 A G T 3 S+ 0 0 9 2,-0.4 -1,-0.2 -30,-0.1 3,-0.1 0.491 109.1 113.0 94.3 2.7 78.7 -18.3 16.9 67 309 A K S < S+ 0 0 169 -3,-0.6 2,-0.3 1,-0.2 -2,-0.1 0.873 87.1 14.4 -74.5 -37.4 77.0 -21.7 17.1 68 310 A T S S- 0 0 91 0, 0.0 -4,-0.5 0, 0.0 -2,-0.4 -0.982 71.8-154.7-139.8 149.4 73.7 -20.3 18.2 69 311 A W - 0 0 37 -2,-0.3 -7,-0.2 -7,-0.1 -9,-0.0 -0.891 17.9-113.7-127.4 152.1 72.4 -16.7 18.2 70 312 A D - 0 0 52 -9,-2.6 -1,-0.1 -2,-0.3 3,-0.1 -0.008 40.9 -91.7 -76.1-178.2 69.7 -14.8 20.2 71 313 A E - 0 0 154 1,-0.2 -53,-0.2 -11,-0.1 -1,-0.1 0.472 64.6-127.3 -80.7 1.2 66.4 -13.4 19.0 72 314 A G - 0 0 18 -11,-0.1 2,-0.3 1,-0.1 -12,-0.2 0.143 18.7-135.9 78.8 164.0 67.9 -10.0 18.2 73 315 A Q E -G 59 0B 57 -14,-1.7 -14,-2.4 -3,-0.1 2,-0.5 -0.983 13.0-123.0-154.4 152.5 66.9 -6.5 19.2 74 316 A I E +G 58 0B 52 -2,-0.3 -16,-0.2 -16,-0.2 3,-0.1 -0.855 27.4 178.1 -91.7 125.2 66.4 -3.1 17.6 75 317 A I E + 0 0 21 -18,-2.6 2,-0.3 -2,-0.5 -17,-0.1 0.604 67.3 28.1-108.7 -15.8 68.6 -0.6 19.4 76 318 A M E +G 57 0B 3 -19,-1.0 -19,-2.2 127,-0.1 -1,-0.3 -0.959 61.7 162.0-145.8 131.1 68.0 2.6 17.5 77 319 A D - 0 0 93 -2,-0.3 -21,-0.1 -21,-0.2 6,-0.1 -0.880 12.2-171.9-152.4 108.8 64.8 3.4 15.6 78 320 A Y - 0 0 5 4,-0.4 3,-0.3 -23,-0.4 6,-0.1 -0.705 26.1-111.6 -98.6 155.1 63.8 6.9 14.5 79 321 A P S > S+ 0 0 48 0, 0.0 3,-1.6 0, 0.0 28,-0.2 -0.367 78.7 17.9 -84.5 165.1 60.5 7.8 13.0 80 322 A D T 3 S- 0 0 63 1,-0.3 97,-0.2 96,-0.1 3,-0.1 0.807 130.2 -44.2 56.7 46.1 59.2 8.9 9.6 81 323 A K T 3 S+ 0 0 93 -3,-0.3 27,-0.6 1,-0.3 2,-0.5 0.632 94.0 139.4 70.6 17.5 62.1 7.9 7.4 82 324 A S < - 0 0 0 -3,-1.6 -4,-0.4 25,-0.2 2,-0.3 -0.828 40.8-158.6 -79.8 131.5 64.9 9.2 9.7 83 325 A S E -H 105 0C 2 22,-1.2 22,-2.5 -2,-0.5 2,-0.5 -0.894 30.4-151.8-122.8 148.1 67.5 6.6 9.4 84 326 A V E +H 104 0C 0 -29,-2.0 2,-0.4 -2,-0.3 20,-0.2 -0.969 33.4 176.6-108.8 128.6 70.5 5.2 11.2 85 327 A I E +H 103 0C 10 18,-2.7 18,-1.8 -2,-0.5 136,-0.3 -1.000 40.6 22.4-141.5 133.3 72.9 3.7 8.6 86 328 A D E - 0 0 14 -2,-0.4 17,-0.6 16,-0.2 135,-0.2 0.971 65.7-156.2 78.9 89.3 76.4 2.0 8.8 87 329 A T E -H 102 0C 0 -62,-0.4 137,-2.1 15,-0.2 2,-0.3 -0.576 10.0-169.0 -94.7 160.2 77.3 0.6 12.1 88 330 A T E -Hi 101 224C 0 13,-1.8 13,-2.0 135,-0.3 2,-0.4 -0.991 8.3-149.6-145.9 144.9 80.7 -0.1 13.7 89 331 A L E +Hi 100 225C 0 135,-1.4 137,-2.3 -2,-0.3 2,-0.3 -0.925 24.1 149.3-119.9 140.9 81.7 -2.0 16.9 90 332 A I E -H 99 0C 6 9,-2.0 9,-3.1 -2,-0.4 2,-0.3 -0.951 23.6-147.2-157.0 168.9 84.6 -1.6 19.3 91 333 A Q E -H 98 0C 12 -2,-0.3 2,-0.7 7,-0.3 7,-0.2 -0.995 17.3-128.4-140.7 147.3 85.3 -2.2 23.0 92 334 A D > - 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