==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER VIRAL PROTEIN/CELL ADHESION 29-SEP-08 3EOY . COMPND 2 MOLECULE: OUTER CAPSID PROTEIN SIGMA-1; . SOURCE 2 ORGANISM_SCIENTIFIC: REOVIRUS; . AUTHOR E.KIRCHNER,K.M.GUGLIELMI,T.S.DERMODY,T.STEHLE . 1577 12 6 6 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 60070.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1150 72.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 42 2.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 682 43.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 6 0.4 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 . 35 2.2 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 . 241 15.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 124 7.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 27 1.7 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 12 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 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 PARALLEL BRIDGES PER LADDER . 18 6 14 18 20 8 12 12 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 . 6 12 0 0 6 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 0 149 0, 0.0 173,-0.0 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0 -94.4 18.5 -37.5 20.5 2 295 A N + 0 0 114 172,-0.1 173,-3.1 173,-0.0 2,-0.5 0.285 360.0 88.3-103.6 10.8 20.9 -40.1 19.1 3 296 A L B -a 175 0A 25 171,-0.3 2,-0.5 3,-0.0 173,-0.2 -0.925 61.5-158.9-115.3 124.3 21.3 -37.9 15.9 4 297 A R > - 0 0 72 171,-2.3 3,-1.9 -2,-0.5 173,-0.1 -0.865 39.5 -77.0-102.4 122.4 23.9 -35.1 15.5 5 298 A Y T 3 S+ 0 0 53 -2,-0.5 172,-0.5 1,-0.4 3,-0.1 -0.069 117.1 39.2 -49.5 143.5 23.3 -32.4 13.0 6 299 A P T 3 S+ 0 0 0 0, 0.0 11,-2.6 0, 0.0 2,-0.5 -0.979 115.6 69.9 -82.0 3.4 23.5 -32.2 10.0 7 300 A I E < S+C 16 0B 1 -3,-1.9 2,-0.2 9,-0.2 9,-0.2 -0.737 72.7 142.5 -83.5 127.7 22.1 -35.7 10.4 8 301 A A E -C 15 0B 28 7,-1.9 7,-3.1 -2,-0.5 2,-0.6 -0.839 53.0 -66.3-149.4-174.2 18.5 -35.5 11.6 9 302 A D E -C 14 0B 104 -2,-0.2 2,-0.6 5,-0.2 5,-0.2 -0.748 40.7-176.9 -89.3 118.7 15.0 -36.9 11.5 10 303 A V E > S-C 13 0B 43 3,-3.1 3,-1.4 -2,-0.6 7,-0.0 -0.921 70.9 -33.6-120.7 105.5 13.2 -36.5 8.2 11 304 A S T 3 S- 0 0 87 -2,-0.6 2,-1.3 1,-0.3 -1,-0.2 0.956 123.1 -45.3 48.1 65.4 9.6 -37.7 8.1 12 305 A G T 3 S+ 0 0 65 1,-0.1 -1,-0.3 -3,-0.1 2,-0.1 -0.121 125.3 86.7 77.1 -42.1 10.2 -40.5 10.6 13 306 A G E < S-C 10 0B 1 -3,-1.4 -3,-3.1 -2,-1.3 2,-0.7 -0.396 90.8 -91.5 -91.2 168.5 13.4 -41.8 9.0 14 307 A I E +Cd 9 327B 26 312,-2.8 314,-2.0 -5,-0.2 -5,-0.2 -0.687 66.9 143.7 -77.7 113.0 17.1 -40.8 9.4 15 308 A G E -C 8 0B 0 -7,-3.1 -7,-1.9 -2,-0.7 2,-0.5 -0.512 50.9 -75.3-132.8-157.7 17.7 -38.1 6.8 16 309 A M E -C 7 0B 3 313,-0.4 -9,-0.2 -9,-0.2 5,-0.1 -0.941 46.5-110.7-115.1 125.9 19.6 -34.9 6.2 17 310 A S >> - 0 0 11 -11,-2.6 3,-1.9 -2,-0.5 4,-1.3 -0.295 17.1-144.4 -55.8 121.5 18.5 -31.6 7.7 18 311 A P H 3> S+ 0 0 62 0, 0.0 4,-3.2 0, 0.0 -1,-0.2 0.761 99.5 65.3 -58.6 -25.5 17.2 -29.3 5.0 19 312 A N H 34 S+ 0 0 61 1,-0.2 1040,-0.1 2,-0.2 -2,-0.1 0.745 103.0 48.2 -68.4 -23.5 18.7 -26.3 6.9 20 313 A Y H <4 S+ 0 0 3 -3,-1.9 32,-1.7 -14,-0.2 -1,-0.2 0.852 114.6 44.9 -81.6 -39.3 22.1 -27.9 6.2 21 314 A R H < S+ 0 0 22 -4,-1.3 2,-0.4 1,-0.3 31,-0.3 0.928 130.3 6.8 -72.6 -48.8 21.3 -28.3 2.5 22 315 A F < + 0 0 36 -4,-3.2 2,-0.4 29,-0.2 -1,-0.3 -0.966 61.4 161.4-144.0 125.3 19.7 -24.9 1.8 23 316 A R E -E 50 0C 22 27,-1.5 27,-2.6 -2,-0.4 2,-0.4 -0.951 19.6-161.5-143.0 116.2 19.5 -21.9 4.1 24 317 A Q E +E 49 0C 87 -2,-0.4 25,-0.2 25,-0.2 2,-0.2 -0.838 21.9 140.1-107.0 139.9 18.8 -18.5 2.6 25 318 A S E -E 48 0C 18 23,-3.5 23,-1.9 -2,-0.4 2,-0.3 -0.663 32.0-117.1-148.8-155.4 19.4 -15.0 4.1 26 319 A M E -E 47 0C 49 21,-0.3 56,-1.3 56,-0.2 2,-0.4 -0.997 4.1-154.0-159.6 152.3 20.5 -11.4 3.5 27 320 A W E -EF 46 81C 0 19,-2.8 19,-2.9 -2,-0.3 2,-0.4 -0.997 7.7-179.9-133.5 129.8 23.1 -8.9 4.5 28 321 A I E +E 45 0C 59 52,-1.7 17,-0.2 -2,-0.4 2,-0.1 -0.768 45.2 117.7-126.4 81.4 22.6 -5.1 4.3 29 322 A G E -E 44 0C 2 15,-0.6 15,-2.1 -2,-0.4 2,-0.5 -0.432 62.7 -67.9-130.2-157.5 26.0 -3.9 5.5 30 323 A I E -EG 43 76C 37 46,-0.5 46,-2.0 49,-0.3 2,-0.5 -0.906 26.6-164.3-114.1 125.0 29.0 -1.9 4.7 31 324 A V E -EG 42 75C 2 11,-2.6 11,-2.3 -2,-0.5 2,-0.5 -0.859 17.9-166.0 -97.5 131.6 31.7 -2.8 2.2 32 325 A S E -EG 41 74C 25 42,-1.9 42,-2.4 -2,-0.5 9,-0.2 -0.963 9.4-155.4-130.7 123.8 34.8 -0.8 2.7 33 326 A Y E +EG 40 73C 3 7,-2.1 7,-1.2 -2,-0.5 2,-0.3 -0.489 21.8 164.1 -86.9 160.8 37.8 -0.3 0.3 34 327 A S E +EG 39 72C 46 38,-0.6 38,-2.8 5,-0.2 5,-0.2 -0.932 12.3 110.0-172.7 150.2 41.2 0.6 1.6 35 328 A G E > S+E 38 0C 13 3,-0.9 3,-1.6 -2,-0.3 33,-0.3 -0.303 73.1 25.2 141.4 133.2 44.9 0.6 0.5 36 329 A S T 3 S- 0 0 102 1,-0.3 3,-0.1 -2,-0.1 35,-0.0 0.872 131.1 -59.9 59.5 37.5 47.5 3.2 -0.5 37 330 A G T 3 S+ 0 0 66 1,-0.2 2,-0.4 31,-0.0 -1,-0.3 0.243 105.2 130.9 78.4 -15.6 45.7 5.7 1.7 38 331 A L E < +E 35 0C 57 -3,-1.6 -3,-0.9 27,-0.0 2,-0.4 -0.590 32.6 176.5 -75.5 127.2 42.5 5.5 -0.4 39 332 A N E +E 34 0C 115 -2,-0.4 2,-0.3 -5,-0.2 -5,-0.2 -0.997 12.0 133.3-138.0 138.0 39.4 5.0 1.8 40 333 A W E -E 33 0C 27 -7,-1.2 -7,-2.1 -2,-0.4 2,-0.3 -0.938 26.9-149.5-173.8 154.6 35.7 4.8 1.2 41 334 A R E -E 32 0C 179 -2,-0.3 2,-0.3 -9,-0.2 -9,-0.2 -0.896 4.1-160.9-132.1 161.1 32.6 2.7 2.1 42 335 A V E -E 31 0C 34 -11,-2.3 -11,-2.6 -2,-0.3 2,-0.4 -0.998 18.7-130.6-145.5 139.5 29.3 1.7 0.5 43 336 A Q E +E 30 0C 118 -2,-0.3 2,-0.3 -13,-0.2 -13,-0.2 -0.716 38.6 175.8 -87.5 136.8 26.1 0.4 1.9 44 337 A V E -E 29 0C 12 -15,-2.1 -15,-0.6 -2,-0.4 2,-0.5 -0.967 31.4-138.7-144.6 159.9 24.8 -2.6 -0.0 45 338 A N E +E 28 0C 78 -2,-0.3 2,-0.4 -17,-0.2 -17,-0.2 -0.956 32.0 168.8-120.8 109.9 22.1 -5.3 -0.1 46 339 A S E -E 27 0C 3 -19,-2.9 -19,-2.8 -2,-0.5 13,-0.2 -0.933 30.9-123.8-126.7 147.8 23.3 -8.8 -0.9 47 340 A D E -EH 26 58C 42 11,-1.0 11,-2.2 -2,-0.4 2,-0.4 -0.455 22.7-151.6 -80.3 159.1 21.7 -12.2 -0.7 48 341 A I E -EH 25 57C 2 -23,-1.9 -23,-3.5 9,-0.2 2,-0.4 -0.979 11.6-174.7-138.1 122.4 23.3 -15.0 1.3 49 342 A F E -EH 24 56C 0 7,-2.2 7,-3.4 -2,-0.4 2,-0.6 -0.953 10.4-162.6-120.1 135.5 23.0 -18.7 0.6 50 343 A I E +EH 23 55C 3 -27,-2.6 -27,-1.5 -2,-0.4 2,-0.5 -0.967 14.4 176.9-116.3 112.7 24.4 -21.5 2.8 51 344 A V E > - H 0 54C 0 3,-1.0 3,-2.1 -2,-0.6 -30,-0.2 -0.972 60.2 -50.8-119.3 115.3 24.5 -24.7 0.8 52 345 A D T 3 S- 0 0 0 -32,-1.7 130,-0.0 -2,-0.5 161,-0.0 -0.384 123.1 -17.8 60.2-126.6 26.0 -27.7 2.7 53 346 A D T 3 S+ 0 0 2 -2,-0.1 106,-3.4 129,-0.1 2,-0.3 0.142 122.2 89.0 -97.5 18.4 29.4 -26.5 4.2 54 347 A Y E < -HI 51 158C 10 -3,-2.1 -3,-1.0 104,-0.3 2,-0.4 -0.783 58.3-154.9-113.9 159.3 29.7 -23.5 1.9 55 348 A I E -HI 50 157C 2 102,-1.1 102,-0.9 -2,-0.3 2,-0.4 -0.999 8.8-161.9-134.8 129.7 28.5 -20.0 2.3 56 349 A H E -HI 49 156C 8 -7,-3.4 -7,-2.2 -2,-0.4 2,-0.6 -0.947 5.2-164.9-117.1 131.9 27.8 -17.7 -0.7 57 350 A I E -HI 48 155C 0 98,-2.9 98,-2.5 -2,-0.4 2,-1.3 -0.944 9.7-155.7-117.6 108.3 27.6 -13.9 -0.5 58 351 A C E -HI 47 154C 4 -11,-2.2 -11,-1.0 -2,-0.6 96,-0.2 -0.664 11.9-165.9 -89.5 88.3 26.0 -12.5 -3.6 59 352 A L E - I 0 153C 2 94,-2.3 94,-1.6 -2,-1.3 -13,-0.1 -0.558 14.1-136.4 -73.8 129.5 27.3 -8.9 -3.7 60 353 A P - 0 0 35 0, 0.0 93,-0.2 0, 0.0 2,-0.1 -0.325 35.1 -82.7 -79.3 170.7 25.3 -6.8 -6.2 61 354 A A + 0 0 59 91,-0.2 2,-0.3 -2,-0.0 91,-0.2 -0.479 58.8 174.5 -72.0 146.9 27.1 -4.4 -8.6 62 355 A F E -J 150 0C 20 88,-0.8 88,-3.5 89,-0.2 2,-0.3 -0.956 28.1-113.9-149.4 167.6 28.0 -1.0 -7.0 63 356 A D E +J 149 0C 105 -2,-0.3 2,-0.2 86,-0.2 86,-0.2 -0.812 35.6 163.3-107.9 145.9 29.9 2.2 -7.6 64 357 A G E -J 148 0C 6 84,-3.8 84,-3.1 -2,-0.3 2,-0.1 -0.797 28.6-105.4-144.6-172.2 33.0 3.5 -5.8 65 358 A F E -J 147 0C 118 1,-0.3 82,-0.3 82,-0.3 81,-0.1 -0.240 65.1 -26.3-106.9-163.4 35.8 5.9 -5.8 66 359 A S - 0 0 33 80,-0.8 2,-0.3 -2,-0.1 -1,-0.3 -0.009 58.9-164.8 -45.3 148.1 39.6 5.8 -6.5 67 360 A I - 0 0 6 80,-0.1 4,-0.1 -3,-0.1 -31,-0.1 -0.998 14.0-126.5-142.1 141.1 41.3 2.4 -5.9 68 361 A A - 0 0 11 -2,-0.3 3,-0.1 -33,-0.3 -32,-0.1 -0.277 31.9-106.0 -79.4 169.2 45.0 1.5 -5.5 69 362 A D S S+ 0 0 92 1,-0.2 70,-0.6 69,-0.1 2,-0.5 0.928 114.5 33.9 -61.1 -44.5 46.8 -1.2 -7.5 70 363 A G E S+ K 0 138C 18 68,-0.2 2,-0.3 2,-0.0 -1,-0.2 -0.960 85.3 145.9-115.9 123.7 46.7 -3.3 -4.3 71 364 A G E - K 0 137C 0 66,-1.6 66,-3.1 -2,-0.5 2,-0.4 -0.940 40.7-120.2-150.6 173.1 43.8 -3.0 -1.9 72 365 A D E -GK 34 136C 35 -38,-2.8 -38,-0.6 -2,-0.3 2,-0.6 -0.972 13.6-160.1-121.7 128.7 41.5 -4.7 0.6 73 366 A L E -GK 33 135C 0 62,-3.3 62,-3.5 -2,-0.4 2,-0.5 -0.934 17.4-164.3-106.7 120.6 37.7 -4.9 0.3 74 367 A S E -GK 32 134C 28 -42,-2.4 -42,-1.9 -2,-0.6 2,-0.6 -0.912 14.0-158.6-117.1 123.6 36.1 -5.5 3.7 75 368 A L E -GK 31 133C 0 58,-2.4 58,-1.8 -2,-0.5 2,-1.1 -0.822 16.8-145.1 -92.2 123.6 32.5 -6.7 4.3 76 369 A N E > +GK 30 132C 44 -46,-2.0 3,-0.8 -2,-0.6 -46,-0.5 -0.760 24.0 173.1 -93.1 98.5 31.5 -5.8 7.9 77 370 A F T 3 + 0 0 0 54,-2.4 4,-0.3 -2,-1.1 55,-0.2 0.384 57.7 95.8 -84.6 4.3 29.3 -8.7 9.0 78 371 A V T 3 S+ 0 0 8 53,-0.3 2,-0.3 1,-0.2 -1,-0.2 0.767 100.8 16.1 -64.2 -21.6 29.1 -7.4 12.6 79 372 A T S < S+ 0 0 47 -3,-0.8 -49,-0.3 52,-0.2 -1,-0.2 -0.998 103.7 54.9-150.8 147.7 25.8 -5.8 11.4 80 373 A G + 0 0 22 1,-0.5 -52,-1.7 -2,-0.3 2,-0.2 0.224 68.7 126.5 115.5 -13.4 23.4 -6.2 8.5 81 374 A L B -F 27 0C 19 -4,-0.3 -1,-0.5 -54,-0.2 -54,-0.2 -0.494 57.7-126.9 -78.5 147.9 22.7 -9.8 8.8 82 375 A L > - 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