==== 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 VIRAL PROTEIN 12-JAN-07 2OJ5 . COMPND 2 MOLECULE: VIRAL ATTACHMENT PROTEIN SIGMA 1; . SOURCE 2 ORGANISM_SCIENTIFIC: REOVIRUS SP.; . AUTHOR T.STEHLE,P.SCHELLING,E.KIRCHNER,T.S.DERMODY . 971 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 36697.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 721 74.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 12 1.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 459 47.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 24 2.5 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 . 143 14.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 85 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 12 1.2 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 6 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 . 6 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 . 12 0 9 15 6 6 12 6 0 0 0 0 6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 6 0 0 0 0 0 0 0 6 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 1 294 A P 0 0 128 0, 0.0 2,-1.2 0, 0.0 176,-0.1 0.000 360.0 360.0 360.0 161.7 13.0 -10.2 -8.6 2 295 A N - 0 0 106 174,-0.2 176,-2.5 2,-0.0 2,-0.3 -0.725 360.0-165.4 -84.3 93.0 14.3 -6.8 -7.5 3 296 A L B -a 178 0A 43 -2,-1.2 2,-0.5 174,-0.2 176,-0.2 -0.597 9.6-156.4 -89.9 141.5 14.1 -7.1 -3.7 4 297 A R > - 0 0 70 174,-2.8 3,-1.9 -2,-0.3 176,-0.2 -0.954 38.4 -75.0-121.2 115.2 14.3 -4.1 -1.3 5 298 A Y T 3 S+ 0 0 106 -2,-0.5 175,-0.3 1,-0.4 3,-0.1 -0.110 119.8 33.0 -42.1 134.7 15.5 -4.6 2.3 6 299 A P T 3 S+ 0 0 0 0, 0.0 11,-3.0 0, 0.0 -1,-0.4 -0.990 115.1 69.8 -83.9 -5.3 13.9 -5.7 4.6 7 300 A I E < S+C 16 0B 2 -3,-1.9 2,-0.3 9,-0.2 9,-0.2 -0.596 74.7 153.6 -67.8 131.4 12.4 -7.9 1.9 8 301 A A E -C 15 0B 26 7,-1.6 7,-2.2 -2,-0.3 2,-0.3 -0.965 50.4 -73.7-155.1 163.6 15.2 -10.2 0.8 9 302 A D E -C 14 0B 115 -2,-0.3 2,-0.4 5,-0.2 5,-0.2 -0.527 47.3-176.5 -64.1 127.4 16.0 -13.6 -0.6 10 303 A V E > -C 13 0B 40 3,-2.9 3,-3.7 -2,-0.3 7,-0.0 -0.984 64.5 -32.2-130.0 122.0 15.4 -16.3 1.9 11 304 A S T 3 S- 0 0 110 -2,-0.4 3,-0.1 1,-0.3 -1,-0.1 0.820 124.4 -48.1 38.1 44.4 16.2 -20.0 1.2 12 305 A G T 3 S+ 0 0 55 1,-0.3 -1,-0.3 318,-0.0 2,-0.2 0.353 125.5 84.7 86.7 -3.5 15.4 -19.4 -2.4 13 306 A G E < S-C 10 0B 3 -3,-3.7 -3,-2.9 -5,-0.0 2,-0.8 -0.640 89.8 -87.0-120.3 174.8 12.1 -17.6 -1.9 14 307 A I E +Cd 9 331B 18 316,-2.7 318,-3.0 -5,-0.2 -5,-0.2 -0.793 68.4 139.0 -83.1 111.7 10.9 -14.1 -1.2 15 308 A G E -C 8 0B 0 -7,-2.2 -7,-1.6 -2,-0.8 2,-0.5 -0.500 54.3 -73.7-130.6-159.5 10.9 -13.6 2.6 16 309 A M E -C 7 0B 5 317,-0.3 -9,-0.2 -9,-0.2 -11,-0.1 -0.917 50.6-107.0-107.9 132.9 11.8 -11.2 5.4 17 310 A S >> - 0 0 14 -11,-3.0 4,-1.7 -2,-0.5 3,-1.0 -0.394 17.3-142.6 -58.2 123.0 15.5 -10.5 6.2 18 311 A P H 3> S+ 0 0 72 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.818 102.8 62.1 -53.4 -32.9 16.4 -12.2 9.5 19 312 A N H 34 S+ 0 0 69 1,-0.2 31,-0.1 2,-0.2 33,-0.1 0.839 102.8 48.4 -62.6 -35.6 18.6 -9.1 10.1 20 313 A Y H <4 S+ 0 0 4 -3,-1.0 32,-1.7 -14,-0.2 -1,-0.2 0.916 110.8 51.5 -68.2 -41.9 15.4 -6.9 10.1 21 314 A R H < S+ 0 0 20 -4,-1.7 2,-0.3 1,-0.2 -2,-0.2 0.845 126.6 0.5 -68.8 -37.0 13.6 -9.3 12.5 22 315 A F < + 0 0 39 -4,-2.0 2,-0.4 29,-0.2 -1,-0.2 -0.920 58.0 165.6-159.8 130.1 16.4 -9.4 15.2 23 316 A R E -E 50 0C 49 27,-1.8 27,-2.8 -2,-0.3 2,-0.4 -0.987 16.5-158.7-143.0 131.9 19.8 -7.8 15.7 24 317 A Q E +E 49 0C 70 -2,-0.4 25,-0.2 25,-0.2 2,-0.2 -0.948 24.6 145.8-116.3 133.2 21.7 -7.8 18.9 25 318 A S E -E 48 0C 11 23,-3.2 23,-1.9 -2,-0.4 2,-0.3 -0.654 32.8-118.6-141.2-163.7 24.5 -5.3 19.7 26 319 A M E -E 47 0C 50 21,-0.3 56,-2.3 -2,-0.2 2,-0.4 -0.991 3.8-156.2-145.8 149.5 26.1 -3.3 22.6 27 320 A W E -EF 46 81C 0 19,-2.7 19,-2.3 -2,-0.3 2,-0.7 -0.978 9.1-177.1-124.0 116.2 26.7 0.3 23.5 28 321 A I E +E 45 0C 72 52,-2.1 2,-0.2 -2,-0.4 17,-0.2 -0.918 43.7 111.5-108.9 100.3 29.6 0.8 26.0 29 322 A G E -E 44 0C 3 15,-1.3 15,-2.5 -2,-0.7 2,-0.5 -0.749 63.6 -62.5-157.4-167.3 29.4 4.5 26.5 30 323 A I E -E 43 0C 58 46,-0.4 46,-1.9 -2,-0.2 2,-0.5 -0.860 27.6-164.5-111.6 123.8 28.8 7.6 28.5 31 324 A V E -EG 42 75C 0 11,-2.2 11,-2.2 -2,-0.5 2,-0.5 -0.935 15.6-162.3-103.7 126.0 25.5 8.7 30.0 32 325 A S E -EG 41 74C 22 42,-2.6 42,-3.1 -2,-0.5 2,-0.4 -0.936 7.2-155.1-117.6 129.0 25.4 12.3 31.1 33 326 A Y E +EG 40 73C 3 7,-2.8 7,-1.7 -2,-0.5 2,-0.4 -0.838 15.2 174.9 -97.0 135.2 23.0 14.0 33.5 34 327 A S E +EG 39 72C 46 38,-2.7 38,-3.6 -2,-0.4 2,-0.2 -0.975 13.7 136.6-136.3 129.9 22.2 17.7 33.3 35 328 A G E > S-E 38 0C 6 3,-2.1 3,-2.4 -2,-0.4 36,-0.1 -0.788 70.4 -14.7-167.5 130.0 19.7 19.8 35.3 36 329 A S T 3 S- 0 0 110 1,-0.3 3,-0.1 -2,-0.2 35,-0.1 0.855 130.0 -43.1 51.1 44.7 19.6 23.1 37.2 37 330 A G T 3 S+ 0 0 71 1,-0.3 2,-0.4 31,-0.0 -1,-0.3 0.375 111.1 124.4 84.9 -5.3 23.4 23.5 37.2 38 331 A L E < +E 35 0C 59 -3,-2.4 -3,-2.1 27,-0.0 2,-0.3 -0.753 33.6 172.5 -89.3 132.7 24.0 19.9 38.1 39 332 A N E +E 34 0C 115 -2,-0.4 2,-0.3 -5,-0.2 -5,-0.2 -0.972 8.3 139.2-143.9 127.8 26.3 17.9 35.8 40 333 A W E -E 33 0C 24 -7,-1.7 -7,-2.8 -2,-0.3 2,-0.3 -0.984 26.0-148.4-157.4 162.1 27.8 14.4 35.9 41 334 A R E -E 32 0C 183 -2,-0.3 2,-0.3 -9,-0.2 -9,-0.2 -0.953 7.8-171.1-131.0 155.4 28.6 11.4 33.8 42 335 A V E -E 31 0C 25 -11,-2.2 -11,-2.2 -2,-0.3 2,-0.4 -0.924 25.7-114.0-134.1 163.4 28.8 7.6 34.2 43 336 A Q E -E 30 0C 135 -2,-0.3 2,-0.3 -13,-0.2 -13,-0.2 -0.838 33.2-172.5 -96.0 139.6 29.9 4.6 32.2 44 337 A V E -E 29 0C 4 -15,-2.5 -15,-1.3 -2,-0.4 2,-0.5 -0.942 22.3-155.6-126.8 147.7 27.4 2.0 31.1 45 338 A N E +E 28 0C 81 -2,-0.3 2,-0.4 -17,-0.2 -17,-0.2 -0.982 34.1 170.5-116.5 116.4 27.6 -1.3 29.4 46 339 A S E -E 27 0C 2 -19,-2.3 -19,-2.7 -2,-0.5 2,-0.3 -0.958 32.4-127.5-133.9 140.3 24.2 -1.8 27.7 47 340 A D E -EH 26 58C 35 11,-0.9 11,-2.8 -2,-0.4 2,-0.4 -0.647 21.1-154.5 -80.3 143.2 22.7 -4.3 25.3 48 341 A I E -EH 25 57C 0 -23,-1.9 -23,-3.2 -2,-0.3 2,-0.4 -0.979 8.1-169.4-114.9 134.9 21.0 -2.9 22.2 49 342 A F E -EH 24 56C 0 7,-2.4 7,-2.8 -2,-0.4 2,-0.6 -0.994 6.6-164.8-122.5 127.4 18.3 -4.9 20.4 50 343 A I E +EH 23 55C 5 -27,-2.8 -27,-1.8 -2,-0.4 2,-0.4 -0.959 16.4 173.0-108.0 120.1 16.9 -3.9 17.0 51 344 A V E > - H 0 54C 0 3,-2.0 3,-2.1 -2,-0.6 -30,-0.2 -0.977 57.6 -48.3-135.1 116.7 13.7 -5.7 16.3 52 345 A D T 3 S- 0 0 2 -32,-1.7 133,-0.0 -2,-0.4 164,-0.0 -0.324 123.6 -18.9 50.3-132.4 11.6 -4.9 13.2 53 346 A D T 3 S+ 0 0 5 -3,-0.1 106,-3.0 105,-0.1 2,-0.3 0.234 121.8 89.0 -92.0 18.1 11.3 -1.0 13.1 54 347 A Y E < -HI 51 158C 11 -3,-2.1 -3,-2.0 104,-0.3 2,-0.4 -0.847 58.0-154.0-112.1 146.4 12.2 -0.5 16.8 55 348 A I E -HI 50 157C 1 102,-2.6 102,-1.9 -2,-0.3 2,-0.5 -0.970 11.4-162.3-113.6 138.7 15.4 0.1 18.6 56 349 A H E -HI 49 156C 14 -7,-2.8 -7,-2.4 -2,-0.4 2,-0.6 -0.984 5.1-164.4-122.0 124.5 15.7 -0.9 22.3 57 350 A I E -HI 48 155C 0 98,-3.3 98,-2.5 -2,-0.5 2,-1.2 -0.931 8.8-158.6-109.4 110.8 18.5 0.4 24.5 58 351 A C E -HI 47 154C 4 -11,-2.8 -11,-0.9 -2,-0.6 96,-0.2 -0.674 10.6-167.4 -98.1 86.0 18.7 -1.7 27.7 59 352 A L E - I 0 153C 0 94,-1.9 94,-1.2 -2,-1.2 2,-0.1 -0.465 13.1-135.8 -70.9 137.6 20.5 0.4 30.3 60 353 A P - 0 0 35 0, 0.0 93,-0.1 0, 0.0 -1,-0.1 -0.445 36.3 -80.3 -83.7 165.5 21.7 -1.3 33.4 61 354 A A + 0 0 48 91,-0.1 2,-0.3 -2,-0.1 91,-0.2 -0.380 59.4 173.8 -58.4 143.9 21.2 0.1 36.9 62 355 A F E -J 150 0C 17 88,-1.1 88,-2.9 89,-0.1 2,-0.4 -0.965 28.8-122.5-148.9 164.5 23.8 2.7 37.8 63 356 A D E +J 149 0C 112 -2,-0.3 86,-0.2 86,-0.2 2,-0.2 -0.944 34.0 163.1-114.3 133.7 24.7 5.2 40.5 64 357 A G E -J 148 0C 4 84,-2.9 84,-2.2 -2,-0.4 3,-0.1 -0.512 31.7-100.2-127.3-161.5 25.1 8.9 39.9 65 358 A F E -J 147 0C 116 82,-0.3 82,-0.2 1,-0.3 -1,-0.2 -0.061 67.6 -22.7-110.4-150.2 25.2 12.2 41.9 66 359 A S - 0 0 29 80,-0.6 2,-0.3 -27,-0.1 -1,-0.3 -0.289 57.6-163.8 -65.9 141.6 22.6 14.9 42.7 67 360 A I - 0 0 6 80,-0.1 2,-0.1 -3,-0.1 78,-0.1 -0.868 13.6-125.6-118.3 156.6 19.6 15.4 40.3 68 361 A A - 0 0 10 -2,-0.3 3,-0.1 -30,-0.1 -32,-0.1 -0.441 35.1-100.5 -88.8 171.1 17.2 18.3 39.9 69 362 A D S S+ 0 0 86 1,-0.2 70,-0.6 -2,-0.1 2,-0.3 0.910 116.1 19.2 -55.9 -41.2 13.5 18.2 40.1 70 363 A G E S+ K 0 138C 17 68,-0.2 2,-0.3 2,-0.0 68,-0.2 -0.992 84.1 132.2-131.3 141.5 13.7 18.3 36.2 71 364 A G E - K 0 137C 1 66,-1.9 66,-2.7 -2,-0.3 2,-0.4 -0.959 45.0 -94.1-169.0-179.8 16.7 17.5 34.0 72 365 A D E -GK 34 136C 39 -38,-3.6 -38,-2.7 -2,-0.3 2,-0.5 -0.924 15.0-159.1-117.3 138.1 18.1 15.6 31.0 73 366 A L E -GK 33 135C 0 62,-2.7 62,-3.1 -2,-0.4 2,-0.5 -0.985 22.1-162.9-110.8 122.3 19.8 12.3 30.8 74 367 A S E -GK 32 134C 30 -42,-3.1 -42,-2.6 -2,-0.5 2,-0.6 -0.914 12.7-155.1-117.7 127.7 21.8 12.1 27.6 75 368 A L E -GK 31 133C 0 58,-2.7 58,-2.4 -2,-0.5 2,-1.1 -0.885 13.9-144.9-102.5 119.3 23.2 9.0 25.8 76 369 A N E > + K 0 132C 52 -46,-1.9 3,-0.6 -2,-0.6 -46,-0.4 -0.695 25.4 169.8 -87.9 96.3 26.3 9.7 23.6 77 370 A F T 3 + 0 0 1 54,-2.3 4,-0.3 -2,-1.1 55,-0.2 0.398 58.1 91.2 -88.7 2.3 26.0 7.4 20.6 78 371 A V T 3 S+ 0 0 88 53,-0.4 2,-0.3 52,-0.1 -1,-0.2 0.843 100.9 19.7 -64.3 -33.8 28.9 9.1 18.8 79 372 A T S < S+ 0 0 88 -3,-0.6 -49,-0.2 52,-0.1 -1,-0.1 -0.922 107.1 46.9-129.0 159.4 31.2 6.6 20.4 80 373 A G + 0 0 23 1,-0.3 -52,-2.1 -2,-0.3 2,-0.2 0.169 65.0 133.8 104.5 -17.3 30.8 3.2 22.0 81 374 A L B -F 27 0C 21 -4,-0.3 -1,-0.3 -54,-0.2 -54,-0.2 -0.473 60.1-116.8 -68.0 134.9 28.6 1.4 19.5 82 375 A L > - 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