==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=3-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER VIRAL PROTEIN 12-JAN-07 2OJ6 . COMPND 2 MOLECULE: VIRAL ATTACHMENT PROTEIN SIGMA 1; . SOURCE 2 ORGANISM_SCIENTIFIC: REOVIRUS SP.; . AUTHOR T.STEHLE,E.KIRCHNER,T.S.DERMODY . 969 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 36495.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 704 72.7 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 . 455 47.0 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 . 134 13.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 82 8.5 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 10 14 6 9 9 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 0 132 0, 0.0 2,-1.4 0, 0.0 8,-0.1 0.000 360.0 360.0 360.0 173.0 -18.6 3.5 62.6 2 295 A N - 0 0 106 173,-0.2 175,-1.7 2,-0.0 2,-0.3 -0.666 360.0-170.9 -85.4 84.7 -19.7 7.0 61.6 3 296 A L B -a 177 0A 38 -2,-1.4 2,-0.6 173,-0.2 175,-0.2 -0.606 10.6-154.3 -87.5 134.9 -19.4 6.7 57.8 4 297 A R > - 0 0 74 173,-3.0 3,-2.2 -2,-0.3 175,-0.2 -0.923 38.3 -74.3-109.6 117.3 -19.6 9.7 55.5 5 298 A Y T 3 S+ 0 0 102 -2,-0.6 174,-0.3 1,-0.4 3,-0.1 -0.167 121.6 33.6 -39.1 134.2 -20.7 9.3 51.8 6 299 A P T 3 S+ 0 0 0 0, 0.0 11,-2.9 0, 0.0 -1,-0.4 -0.988 114.1 71.8 -85.1 0.5 -19.2 8.2 49.6 7 300 A I E < S+C 16 0B 2 -3,-2.2 2,-0.3 9,-0.2 9,-0.2 -0.625 73.6 157.3 -67.8 132.9 -17.7 6.0 52.3 8 301 A A E -C 15 0B 25 7,-1.8 7,-2.3 -2,-0.3 2,-0.4 -0.986 48.4 -81.9-153.4 160.2 -20.5 3.5 53.3 9 302 A D E +C 14 0B 113 -2,-0.3 2,-0.4 5,-0.2 5,-0.2 -0.567 46.9 177.0 -66.2 124.0 -21.4 0.2 54.8 10 303 A V E > -C 13 0B 36 3,-2.3 3,-3.8 -2,-0.4 7,-0.0 -0.998 65.8 -23.8-130.0 124.9 -21.0 -2.5 52.2 11 304 A S T 3 S- 0 0 105 -2,-0.4 3,-0.1 1,-0.3 -1,-0.1 0.805 124.9 -52.7 49.8 34.3 -21.5 -6.2 53.0 12 305 A G T 3 S+ 0 0 58 1,-0.3 -1,-0.3 319,-0.0 2,-0.2 0.373 123.8 89.1 85.1 -5.5 -20.8 -5.6 56.7 13 306 A G E < S-C 10 0B 3 -3,-3.8 -3,-2.3 -5,-0.0 2,-0.7 -0.557 89.1 -87.9-116.1 176.2 -17.5 -3.8 56.0 14 307 A I E +Cd 9 330B 17 315,-3.8 317,-3.4 -5,-0.2 2,-0.2 -0.820 68.0 139.8 -86.1 115.4 -16.2 -0.3 55.3 15 308 A G E -C 8 0B 0 -7,-2.3 -7,-1.8 -2,-0.7 2,-0.5 -0.604 54.3 -76.4-136.5-165.9 -16.4 0.1 51.5 16 309 A M E -C 7 0B 5 316,-0.3 -9,-0.2 -9,-0.2 5,-0.1 -0.906 50.6-106.2-106.6 130.4 -17.2 2.6 48.8 17 310 A S >> - 0 0 15 -11,-2.9 4,-1.7 -2,-0.5 3,-0.8 -0.342 18.2-142.2 -52.3 125.8 -20.9 3.3 48.0 18 311 A P H 3> S+ 0 0 67 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.835 102.9 62.7 -58.9 -31.3 -21.9 1.6 44.7 19 312 A N H 34 S+ 0 0 67 1,-0.2 31,-0.1 2,-0.2 33,-0.1 0.854 103.7 46.8 -60.5 -37.2 -24.0 4.8 44.0 20 313 A Y H <4 S+ 0 0 5 -3,-0.8 32,-2.2 -14,-0.2 -1,-0.2 0.860 110.9 52.7 -72.9 -36.5 -20.8 6.8 44.0 21 314 A R H < S- 0 0 22 -4,-1.7 2,-0.3 1,-0.3 -2,-0.2 0.878 127.1 -4.0 -67.9 -39.1 -19.0 4.3 41.7 22 315 A F < + 0 0 35 -4,-2.3 2,-0.3 29,-0.2 -1,-0.3 -0.913 57.4 165.2-160.5 130.3 -21.7 4.3 39.0 23 316 A R E -E 50 0C 46 27,-1.7 27,-2.9 -2,-0.3 2,-0.4 -0.975 15.9-161.4-142.8 132.0 -25.2 5.8 38.5 24 317 A Q E +E 49 0C 63 -2,-0.3 25,-0.2 25,-0.2 2,-0.2 -0.917 24.6 141.9-113.3 139.1 -27.0 5.9 35.1 25 318 A S E -E 48 0C 9 23,-3.0 23,-2.0 -2,-0.4 2,-0.3 -0.716 34.3-116.2-150.2-161.5 -29.9 8.3 34.4 26 319 A M E -E 47 0C 48 21,-0.3 56,-2.3 -2,-0.2 2,-0.4 -0.995 2.9-152.3-148.6 155.3 -31.3 10.4 31.6 27 320 A W E -EF 46 81C 0 19,-2.8 19,-2.8 -2,-0.3 2,-0.6 -0.991 9.5-174.5-125.1 118.3 -32.1 14.0 30.6 28 321 A I E +E 45 0C 69 52,-2.3 2,-0.2 -2,-0.4 17,-0.2 -0.962 44.6 114.5-109.2 106.1 -34.9 14.5 28.2 29 322 A G E -E 44 0C 5 15,-2.0 15,-2.5 -2,-0.6 2,-0.5 -0.831 62.5 -64.1-159.1-168.3 -34.8 18.2 27.6 30 323 A I E -E 43 0C 68 46,-0.4 46,-1.9 -2,-0.2 2,-0.5 -0.862 27.4-165.4-112.8 121.6 -34.2 21.3 25.7 31 324 A V E -EG 42 75C 0 11,-2.6 11,-2.4 -2,-0.5 2,-0.4 -0.918 14.7-161.9-102.1 126.2 -30.9 22.4 24.2 32 325 A S E -EG 41 74C 22 42,-2.8 42,-3.3 -2,-0.5 2,-0.4 -0.946 6.9-156.0-116.4 132.5 -30.8 26.1 23.1 33 326 A Y E +EG 40 73C 2 7,-2.7 7,-1.6 -2,-0.4 2,-0.3 -0.840 14.8 174.9 -99.6 140.7 -28.3 27.8 20.7 34 327 A S E +EG 39 72C 50 38,-2.3 38,-3.1 -2,-0.4 2,-0.3 -0.976 13.3 140.4-144.9 126.4 -27.6 31.6 20.9 35 328 A G E > S-E 38 0C 6 3,-2.2 3,-2.9 -2,-0.3 36,-0.2 -0.807 70.3 -17.3-167.8 125.5 -25.1 33.5 18.8 36 329 A S T 3 S- 0 0 113 1,-0.3 3,-0.1 -2,-0.3 35,-0.0 0.853 129.6 -43.2 48.9 48.2 -25.0 36.9 17.1 37 330 A G T 3 S+ 0 0 69 1,-0.3 2,-0.4 31,-0.0 -1,-0.3 0.440 111.0 124.1 79.4 -3.1 -28.8 37.3 17.1 38 331 A L E < +E 35 0C 60 -3,-2.9 -3,-2.2 27,-0.0 2,-0.3 -0.790 34.1 172.6 -90.6 133.3 -29.4 33.7 16.1 39 332 A N E +E 34 0C 113 -2,-0.4 2,-0.3 -5,-0.2 -5,-0.2 -0.967 8.8 139.4-143.3 127.2 -31.7 31.7 18.5 40 333 A W E -E 33 0C 24 -7,-1.6 -7,-2.7 -2,-0.3 2,-0.3 -0.978 27.0-146.4-156.1 164.7 -33.2 28.2 18.2 41 334 A R E -E 32 0C 181 -2,-0.3 2,-0.3 -9,-0.2 -9,-0.2 -0.960 7.0-168.6-132.7 156.1 -33.9 25.2 20.4 42 335 A V E -E 31 0C 24 -11,-2.4 -11,-2.6 -2,-0.3 2,-0.4 -0.964 22.4-123.9-135.6 152.2 -34.1 21.3 19.9 43 336 A Q E -E 30 0C 141 -2,-0.3 2,-0.3 -13,-0.2 -13,-0.2 -0.828 32.5-178.2 -90.1 138.6 -35.3 18.5 22.1 44 337 A V E -E 29 0C 6 -15,-2.5 -15,-2.0 -2,-0.4 2,-0.6 -0.970 26.2-144.4-131.9 150.9 -32.8 15.7 22.9 45 338 A N E +E 28 0C 84 -2,-0.3 2,-0.4 -17,-0.2 -17,-0.2 -0.980 34.2 177.4-106.5 117.4 -32.9 12.4 24.8 46 339 A S E -E 27 0C 2 -19,-2.8 -19,-2.8 -2,-0.6 2,-0.3 -0.962 28.3-130.9-127.0 138.3 -29.6 12.0 26.5 47 340 A D E -EH 26 58C 34 11,-0.8 11,-2.7 -2,-0.4 2,-0.4 -0.627 22.5-155.7 -73.6 144.0 -28.1 9.4 28.8 48 341 A I E -EH 25 57C 0 -23,-2.0 -23,-3.0 -2,-0.3 2,-0.4 -0.990 7.9-169.8-121.6 135.2 -26.3 10.8 31.9 49 342 A F E -EH 24 56C 0 7,-2.4 7,-2.9 -2,-0.4 2,-0.5 -0.990 6.5-164.4-124.2 131.7 -23.6 8.8 33.8 50 343 A I E +EH 23 55C 2 -27,-2.9 -27,-1.7 -2,-0.4 2,-0.4 -0.976 15.3 173.9-114.7 121.0 -22.2 9.9 37.2 51 344 A V E > - H 0 54C 0 3,-2.1 3,-1.9 -2,-0.5 -30,-0.2 -0.983 58.0 -47.5-135.8 114.8 -19.0 8.1 38.0 52 345 A N T 3 S- 0 0 2 -32,-2.2 107,-0.1 -2,-0.4 132,-0.0 -0.290 124.6 -18.3 51.9-132.8 -17.0 9.0 41.0 53 346 A D T 3 S+ 0 0 3 -3,-0.1 106,-2.6 105,-0.1 2,-0.3 0.217 122.4 88.9 -91.2 26.0 -16.7 12.8 41.2 54 347 A Y E < -HI 51 158C 11 -3,-1.9 -3,-2.1 104,-0.3 2,-0.4 -0.895 57.2-154.5-120.1 145.6 -17.6 13.3 37.4 55 348 A I E -HI 50 157C 1 102,-2.7 102,-1.7 -2,-0.3 2,-0.5 -0.943 9.6-161.1-113.2 141.2 -20.8 13.7 35.5 56 349 A H E -HI 49 156C 15 -7,-2.9 -7,-2.4 -2,-0.4 2,-0.7 -0.985 2.6-163.9-121.7 123.0 -21.0 12.7 31.8 57 350 A I E -HI 48 155C 0 98,-3.4 98,-2.5 -2,-0.5 2,-1.2 -0.918 8.4-158.9-108.0 110.1 -23.8 14.1 29.6 58 351 A C E -HI 47 154C 4 -11,-2.7 -11,-0.8 -2,-0.7 96,-0.2 -0.672 9.8-166.9 -97.4 86.5 -24.1 12.1 26.5 59 352 A L E - I 0 153C 0 94,-2.0 94,-1.2 -2,-1.2 2,-0.1 -0.469 12.8-136.5 -74.0 139.0 -25.8 14.2 23.9 60 353 A P - 0 0 35 0, 0.0 93,-0.1 0, 0.0 -1,-0.1 -0.424 36.4 -80.1 -83.4 165.8 -27.1 12.4 20.7 61 354 A A + 0 0 56 91,-0.1 2,-0.3 -2,-0.1 91,-0.1 -0.341 59.1 173.4 -59.8 146.7 -26.6 13.8 17.2 62 355 A F E -J 150 0C 18 88,-1.3 88,-2.8 89,-0.1 2,-0.4 -0.978 29.3-121.5-152.5 164.5 -29.2 16.5 16.3 63 356 A D E +J 149 0C 114 -2,-0.3 86,-0.2 86,-0.2 2,-0.2 -0.921 33.8 164.5-114.4 135.8 -30.1 19.0 13.6 64 357 A G E -J 148 0C 2 84,-2.7 84,-2.4 -2,-0.4 3,-0.1 -0.597 30.9-103.8-129.1-164.7 -30.4 22.7 14.3 65 358 A F - 0 0 116 82,-0.3 82,-0.2 1,-0.3 -1,-0.2 0.031 67.3 -20.8-108.1-147.2 -30.5 25.9 12.3 66 359 A S - 0 0 29 80,-0.5 2,-0.3 -27,-0.1 -1,-0.3 -0.313 57.4-164.7 -65.6 142.3 -28.0 28.7 11.6 67 360 A I - 0 0 6 80,-0.1 2,-0.2 -3,-0.1 78,-0.1 -0.831 13.0-127.6-118.1 162.2 -25.0 29.2 13.9 68 361 A A - 0 0 11 -2,-0.3 3,-0.1 69,-0.1 -32,-0.1 -0.488 35.4 -98.2 -97.7 172.9 -22.6 32.1 14.3 69 362 A D S S+ 0 0 87 1,-0.2 70,-0.5 -2,-0.2 2,-0.4 0.927 116.2 17.7 -56.9 -45.8 -18.9 32.1 14.2 70 363 A G E S+ K 0 138C 14 68,-0.2 2,-0.3 51,-0.1 68,-0.2 -0.986 84.2 136.7-125.6 142.3 -19.1 32.1 18.1 71 364 A G E - K 0 137C 1 66,-1.8 66,-3.0 -2,-0.4 2,-0.4 -0.939 43.3 -99.4-165.7-179.6 -22.1 31.2 20.2 72 365 A D E -GK 34 136C 38 -38,-3.1 -38,-2.3 -2,-0.3 2,-0.5 -0.947 14.1-159.1-118.7 141.0 -23.5 29.4 23.2 73 366 A L E -GK 33 135C 0 62,-3.1 62,-3.0 -2,-0.4 2,-0.4 -0.990 21.6-163.3-116.6 121.3 -25.2 26.0 23.4 74 367 A S E -GK 32 134C 27 -42,-3.3 -42,-2.8 -2,-0.5 2,-0.6 -0.905 12.7-153.6-117.7 131.8 -27.2 25.8 26.7 75 368 A L E -GK 31 133C 0 58,-2.8 58,-2.4 -2,-0.4 2,-1.2 -0.907 13.8-144.0-104.7 118.8 -28.6 22.8 28.4 76 369 A N E > + K 0 132C 53 -46,-1.9 3,-0.8 -2,-0.6 -46,-0.4 -0.700 26.2 169.2 -86.8 94.3 -31.7 23.4 30.6 77 370 A F T 3 + 0 0 0 54,-2.3 4,-0.3 -2,-1.2 55,-0.2 0.447 57.2 92.4 -85.7 -0.6 -31.3 21.1 33.6 78 371 A V T 3 S+ 0 0 87 53,-0.4 2,-0.3 52,-0.1 -1,-0.2 0.813 100.4 18.0 -61.3 -31.4 -34.2 22.8 35.5 79 372 A T S < S+ 0 0 80 -3,-0.8 -49,-0.2 52,-0.1 -1,-0.0 -0.912 106.7 48.0-132.3 161.2 -36.5 20.2 33.9 80 373 A G + 0 0 25 1,-0.3 -52,-2.3 -2,-0.3 2,-0.3 0.243 64.3 131.5 101.2 -14.6 -36.2 16.8 32.2 81 374 A L B -F 27 0C 21 -4,-0.3 -1,-0.3 -54,-0.2 -54,-0.2 -0.569 61.9-115.6 -71.5 134.0 -33.9 14.9 34.6 82 375 A L > - 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