==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-DEC-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER VIRAL PROTEIN 29-AUG-12 4GU3 . COMPND 2 MOLECULE: OUTER CAPSID PROTEIN SIGMA-1; . SOURCE 2 ORGANISM_SCIENTIFIC: MAMMALIAN ORTHOREOVIRUS 1; . AUTHOR K.REISS,T.STEHLE . 614 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 26480.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 431 70.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 24 3.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 261 42.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.5 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 . 15 2.4 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 . 85 13.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 49 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 12 2.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 0.5 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 3 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 . 3 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 PARALLEL BRIDGES PER LADDER . 3 0 3 15 3 6 3 0 0 0 3 0 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 9 0 0 0 0 0 0 0 3 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 1 265 A K 0 0 131 0, 0.0 2,-0.7 0, 0.0 223,-0.2 0.000 360.0 360.0 360.0 162.2 -23.1 -81.6 -6.9 2 266 A I - 0 0 32 1,-0.2 223,-0.2 206,-0.1 3,-0.1 -0.844 360.0-172.9 -90.1 110.8 -20.4 -78.9 -7.4 3 267 A D + 0 0 66 221,-3.2 2,-0.2 -2,-0.7 222,-0.2 0.987 64.4 5.3 -68.1 -61.8 -21.3 -77.1 -10.7 4 268 A S E -a 225 0A 57 220,-0.7 222,-2.3 409,-0.0 2,-0.4 -0.701 62.4-140.1-126.2 168.4 -18.1 -75.0 -11.0 5 269 A V E -a 226 0A 38 -2,-0.2 222,-0.2 220,-0.2 6,-0.2 -0.998 12.3-141.6-134.1 134.3 -14.6 -74.4 -9.4 6 270 A L > - 0 0 79 220,-2.6 3,-1.4 -2,-0.4 222,-0.2 -0.714 41.9 -63.8 -93.9 146.1 -12.7 -71.2 -8.7 7 271 A P T 3 S+ 0 0 43 0, 0.0 221,-0.3 0, 0.0 234,-0.2 -0.256 120.2 42.4 -63.0 142.9 -8.9 -70.7 -9.0 8 272 A P T 3 S+ 0 0 0 0, 0.0 15,-0.9 0, 0.0 13,-0.1 -0.961 115.6 68.5 -63.4 -27.8 -6.6 -72.0 -7.5 9 273 A L E < +C 22 0B 0 -3,-1.4 2,-0.3 13,-0.2 13,-0.2 -0.366 65.1 168.4 -63.3 136.9 -8.8 -75.0 -8.1 10 274 A T E -C 21 0B 68 11,-1.7 11,-1.8 9,-0.1 2,-0.4 -0.982 23.9-141.2-145.4 150.0 -9.2 -76.1 -11.7 11 275 A V E -C 20 0B 53 -2,-0.3 2,-0.6 9,-0.2 9,-0.2 -0.953 2.5-155.6-119.3 132.7 -10.6 -79.2 -13.4 12 276 A R E -C 19 0B 59 7,-1.3 7,-2.2 -2,-0.4 5,-0.0 -0.960 1.9-163.9-110.4 109.3 -9.1 -81.0 -16.5 13 277 A E > + 0 0 70 -2,-0.6 3,-1.0 5,-0.3 2,-0.4 -0.061 30.4 160.4 -80.1 24.2 -12.0 -83.0 -18.4 14 278 A A T 3 - 0 0 76 1,-0.2 3,-0.3 3,-0.2 -2,-0.1 -0.395 68.0 -3.1 -61.8 109.0 -9.3 -85.0 -20.2 15 279 A S T 3 S- 0 0 124 -2,-0.4 -1,-0.2 1,-0.2 3,-0.0 0.903 128.2 -58.3 70.2 55.1 -10.9 -88.2 -21.6 16 280 A G S < S+ 0 0 78 -3,-1.0 2,-0.4 1,-0.1 -1,-0.2 0.546 115.9 109.7 58.7 13.3 -14.5 -87.9 -20.2 17 281 A V - 0 0 58 -3,-0.3 2,-0.6 -4,-0.1 -3,-0.2 -0.930 61.1-147.3-126.1 103.3 -13.0 -87.7 -16.6 18 282 A R - 0 0 101 -2,-0.4 397,-1.6 -5,-0.2 396,-1.2 -0.553 17.0-163.5 -67.2 110.9 -13.1 -84.4 -14.7 19 283 A T E -Cd 12 415B 34 -7,-2.2 -7,-1.3 -2,-0.6 2,-0.3 -0.852 6.8-149.1-110.3 110.7 -9.9 -84.2 -12.4 20 284 A L E +Cd 11 416B 3 395,-2.7 397,-2.6 -2,-0.7 2,-0.3 -0.547 26.0 167.2 -77.2 133.1 -9.9 -81.6 -9.6 21 285 A S E -C 10 0B 31 -11,-1.8 -11,-1.7 -2,-0.3 2,-0.5 -0.969 35.5-114.8-143.6 154.2 -6.5 -80.3 -8.7 22 286 A F E -C 9 0B 12 395,-0.4 2,-0.7 -2,-0.3 -13,-0.2 -0.827 26.7-138.8 -98.2 124.5 -5.0 -77.4 -6.7 23 287 A G + 0 0 11 -15,-0.9 219,-3.2 -2,-0.5 2,-0.3 -0.715 30.7 169.7 -85.6 115.4 -3.1 -74.7 -8.6 24 288 A Y B -e 242 0C 69 -2,-0.7 2,-0.4 217,-0.3 219,-0.2 -0.935 43.3 -95.7-128.4 154.5 0.1 -73.4 -6.9 25 289 A D >> - 0 0 31 217,-3.2 4,-2.8 -2,-0.3 3,-0.7 -0.499 32.8-141.4 -66.2 114.5 3.1 -71.2 -7.8 26 290 A T T 34 S+ 0 0 81 -2,-0.4 -1,-0.1 1,-0.2 217,-0.0 0.724 99.2 37.2 -47.2 -35.1 5.9 -73.7 -8.9 27 291 A S T 34 S+ 0 0 69 1,-0.1 -1,-0.2 3,-0.0 3,-0.1 0.617 117.3 48.4 -92.9 -27.2 8.6 -71.7 -7.2 28 292 A D T <4 S+ 0 0 26 -3,-0.7 11,-1.6 214,-0.2 2,-0.2 0.826 120.6 17.0 -84.5 -38.0 6.7 -70.5 -4.0 29 293 A F E < -G 38 0D 0 -4,-2.8 2,-0.3 9,-0.3 9,-0.2 -0.796 57.8-178.5-131.9 174.3 5.4 -74.0 -3.0 30 294 A T E -G 37 0D 38 7,-2.0 7,-2.3 -2,-0.2 2,-0.5 -0.874 32.0-100.3-154.8-176.8 5.7 -77.7 -3.6 31 295 A I E +G 36 0D 51 -2,-0.3 2,-0.4 5,-0.2 5,-0.2 -0.986 37.7 167.9-122.9 119.0 4.2 -81.0 -2.6 32 296 A I E > S-G 35 0D 82 3,-2.1 3,-2.4 -2,-0.5 -2,-0.1 -0.980 74.1 -0.6-129.5 136.3 5.9 -83.1 0.0 33 297 A N T 3 S- 0 0 146 -2,-0.4 -1,-0.2 1,-0.3 3,-0.1 0.871 130.5 -61.9 46.2 48.3 4.2 -86.1 1.6 34 298 A S T 3 S+ 0 0 76 1,-0.1 2,-0.3 -3,-0.1 -1,-0.3 0.598 116.0 106.9 54.7 25.4 1.2 -85.4 -0.6 35 299 A V E < S-G 32 0D 37 -3,-2.4 -3,-2.1 383,-0.2 2,-0.3 -0.964 79.1 -99.8-130.9 150.7 0.6 -81.9 1.1 36 300 A L E +Gh 31 435D 0 398,-2.6 400,-2.9 -2,-0.3 2,-0.3 -0.498 54.4 163.9 -68.0 125.3 1.1 -78.2 0.1 37 301 A S E -G 30 0D 3 -7,-2.3 -7,-2.0 -2,-0.3 2,-0.5 -0.811 40.5 -88.1-134.6 172.6 4.4 -77.1 1.6 38 302 A L E -G 29 0D 37 -2,-0.3 2,-0.5 -9,-0.2 3,-0.4 -0.771 28.9-135.9 -92.9 130.4 6.7 -74.2 1.2 39 303 A R S S- 0 0 135 -11,-1.6 -12,-0.0 -2,-0.5 -9,-0.0 -0.754 88.8 -6.2 -81.3 121.9 9.5 -74.5 -1.3 40 304 A S S S- 0 0 92 -2,-0.5 -1,-0.3 1,-0.1 2,-0.2 0.950 77.3-150.6 50.2 78.8 12.6 -73.1 0.6 41 305 A R - 0 0 67 -3,-0.4 2,-0.7 1,-0.1 -1,-0.1 -0.556 25.8-116.5 -71.7 131.4 11.3 -71.7 4.0 42 306 A L - 0 0 89 -2,-0.2 2,-0.5 206,-0.0 -1,-0.1 -0.711 21.8-152.4 -85.4 117.6 13.6 -68.9 4.9 43 307 A T - 0 0 100 -2,-0.7 -1,-0.0 1,-0.0 221,-0.0 -0.732 16.3-132.2 -86.1 125.3 15.6 -69.3 8.1 44 308 A L - 0 0 57 -2,-0.5 411,-0.0 1,-0.1 -1,-0.0 -0.615 28.6-116.4 -77.2 133.0 16.5 -66.0 9.8 45 309 A P - 0 0 12 0, 0.0 220,-0.2 0, 0.0 2,-0.1 -0.303 18.6-132.3 -72.0 158.7 20.3 -65.8 10.7 46 310 A T E -i 265 0E 90 218,-2.1 220,-3.2 217,-0.3 2,-0.4 -0.397 23.4-119.1 -94.7 178.6 21.7 -65.5 14.3 47 311 A Y E -i 266 0E 41 218,-0.2 2,-0.3 -2,-0.1 220,-0.2 -0.984 10.3-146.2-132.5 132.6 24.4 -63.0 15.3 48 312 A R > - 0 0 99 218,-2.5 3,-2.2 -2,-0.4 220,-0.2 -0.746 49.4 -59.1 -93.1 140.5 27.9 -63.4 16.7 49 313 A Y T 3 S+ 0 0 100 1,-0.4 219,-0.3 -2,-0.3 -1,-0.1 -0.200 124.0 32.7 -51.4 139.5 29.3 -60.8 19.3 50 314 A P T 3 S+ 0 0 14 0, 0.0 13,-3.3 0, 0.0 -1,-0.4 -0.967 115.6 71.1 -81.9 7.1 29.7 -57.8 19.0 51 315 A L E < +K 62 0F 7 -3,-2.2 2,-0.3 11,-0.2 11,-0.2 -0.674 67.2 172.7 -82.6 138.9 26.5 -58.1 16.8 52 316 A E E -K 61 0F 71 9,-2.5 9,-2.5 -2,-0.3 2,-0.6 -0.996 32.9-123.6-146.4 152.6 23.4 -58.8 18.8 53 317 A L E -K 60 0F 66 -2,-0.3 2,-1.3 7,-0.2 7,-0.2 -0.873 14.8-149.5 -99.0 117.8 19.6 -59.1 18.2 54 318 A D E >>> -K 59 0F 38 5,-3.6 5,-1.8 -2,-0.6 4,-0.8 -0.752 16.3-172.0 -81.6 95.9 17.5 -56.8 20.5 55 319 A T T 345S+ 0 0 121 -2,-1.3 -1,-0.2 1,-0.2 3,-0.1 0.787 76.6 64.6 -63.5 -30.3 14.5 -59.1 20.6 56 320 A A T 345S+ 0 0 84 1,-0.2 -1,-0.2 -3,-0.1 -2,-0.0 0.827 121.5 18.6 -62.6 -36.5 12.4 -56.6 22.4 57 321 A N T <45S- 0 0 99 -3,-0.7 400,-0.3 2,-0.2 -1,-0.2 0.251 103.6-120.1-118.7 9.6 12.5 -54.1 19.4 58 322 A N T <5 + 0 0 53 -4,-0.8 399,-2.2 1,-0.2 2,-0.4 0.952 66.2 141.8 45.5 58.7 13.5 -56.6 16.7 59 323 A R E < -Kl 54 457F 68 -5,-1.8 -5,-3.6 397,-0.3 2,-0.4 -0.998 49.0-140.1-133.4 134.9 16.7 -54.6 16.0 60 324 A V E +Kl 53 458F 3 397,-3.0 399,-2.3 -2,-0.4 2,-0.3 -0.787 37.6 158.4 -90.9 134.7 20.2 -55.7 15.2 61 325 A Q E -K 52 0F 10 -9,-2.5 -9,-2.5 -2,-0.4 2,-0.5 -0.933 46.8 -97.1-148.7 170.4 22.9 -53.6 16.9 62 326 A V E -K 51 0F 30 -2,-0.3 -11,-0.2 398,-0.3 5,-0.1 -0.823 54.8-105.1 -89.4 131.3 26.5 -53.5 18.0 63 327 A A >> - 0 0 5 -13,-3.3 3,-0.9 -2,-0.5 4,-0.5 -0.240 21.0-129.9 -56.3 140.7 26.7 -54.4 21.7 64 328 A D H >> S+ 0 0 104 1,-0.2 3,-1.2 2,-0.2 4,-0.8 0.878 104.7 62.2 -62.3 -37.6 27.3 -51.4 24.0 65 329 A R H 34 S+ 0 0 116 1,-0.3 -1,-0.2 2,-0.2 33,-0.1 0.709 88.5 72.8 -61.0 -23.4 30.2 -53.1 25.8 66 330 A F H <4 S+ 0 0 27 -3,-0.9 32,-2.8 1,-0.2 -1,-0.3 0.885 100.3 43.4 -60.2 -40.9 32.1 -53.3 22.5 67 331 A G H << S+ 0 0 3 -3,-1.2 2,-0.3 -4,-0.5 -1,-0.2 0.718 132.6 8.9 -75.3 -26.1 32.8 -49.5 22.6 68 332 A M < + 0 0 24 -4,-0.8 2,-0.4 29,-0.1 -1,-0.3 -0.797 56.4 162.5-163.5 120.7 33.6 -49.6 26.3 69 333 A R E -M 96 0G 26 27,-1.4 27,-2.9 -2,-0.3 2,-0.2 -0.978 23.3-159.6-137.0 118.0 34.2 -52.2 29.0 70 334 A T E +M 95 0G 75 -2,-0.4 2,-0.3 25,-0.2 25,-0.2 -0.585 20.3 145.3 -98.8 163.8 36.0 -51.1 32.2 71 335 A G E -M 94 0G 8 23,-1.8 23,-2.6 -2,-0.2 2,-0.3 -0.960 31.3-123.0-172.9-178.8 37.8 -53.1 34.8 72 336 A T E -M 93 0G 47 -2,-0.3 56,-2.3 21,-0.2 2,-0.5 -0.991 6.0-152.5-141.9 150.3 40.7 -53.1 37.3 73 337 A W E -MN 92 127G 2 19,-2.2 19,-2.2 -2,-0.3 2,-0.5 -0.996 11.5-167.6-122.8 127.7 43.8 -55.2 37.9 74 338 A T E +M 91 0G 76 52,-2.1 2,-0.3 -2,-0.5 17,-0.2 -0.978 39.2 90.1-116.9 123.9 45.2 -55.4 41.4 75 339 A G E S-M 90 0G 22 15,-2.0 15,-2.6 -2,-0.5 2,-0.6 -0.923 74.2 -52.3-176.5-160.4 48.6 -56.9 41.9 76 340 A Q E -M 89 0G 73 -2,-0.3 2,-0.5 13,-0.2 46,-0.5 -0.926 38.3-140.7-110.7 120.8 52.3 -56.3 42.0 77 341 A L E -M 88 0G 0 11,-2.8 11,-2.2 -2,-0.6 2,-0.6 -0.680 25.1-146.3 -74.9 119.7 54.0 -54.6 39.1 78 342 A Q E -MO 87 120G 11 42,-2.5 42,-2.6 -2,-0.5 2,-0.4 -0.858 10.5-160.6 -97.6 124.5 57.2 -56.5 38.7 79 343 A Y E -MO 86 119G 1 7,-2.8 7,-1.3 -2,-0.6 2,-0.4 -0.873 16.7-165.4 -98.6 133.7 60.4 -54.6 37.6 80 344 A Q E +MO 85 118G 75 38,-2.7 38,-2.1 -2,-0.4 5,-0.2 -0.976 25.9 137.3-132.2 127.8 63.0 -57.0 36.2 81 345 A H E > -M 84 0G 34 3,-0.7 3,-1.3 -2,-0.4 36,-0.1 -0.958 56.0-114.8-156.0 144.3 66.6 -56.5 35.5 82 346 A P T 3 S+ 0 0 121 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 0.867 117.6 36.0 -52.1 -37.0 69.5 -59.0 36.2 83 347 A Q T 3 S+ 0 0 148 1,-0.2 2,-0.3 -3,-0.1 -3,-0.0 0.349 128.6 25.7 -99.8 2.7 71.1 -56.6 38.7 84 348 A L E < +M 81 0G 47 -3,-1.3 -3,-0.7 2,-0.0 2,-0.3 -0.852 60.4 161.6-167.2 126.9 67.9 -55.2 40.2 85 349 A S E +M 80 0G 84 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.989 7.5 160.0-151.2 143.8 64.3 -56.4 40.6 86 350 A W E -M 79 0G 26 -7,-1.3 -7,-2.8 -2,-0.3 2,-0.4 -0.947 29.2-125.7-154.0 171.8 61.4 -55.4 42.8 87 351 A R E -M 78 0G 141 -2,-0.3 2,-0.4 -9,-0.2 -9,-0.2 -0.992 19.3-169.4-129.1 132.7 57.6 -55.5 43.2 88 352 A A E -M 77 0G 17 -11,-2.2 -11,-2.8 -2,-0.4 2,-0.5 -0.966 26.4-119.4-124.2 137.8 55.3 -52.6 43.8 89 353 A N E +M 76 0G 133 -2,-0.4 2,-0.3 -13,-0.2 -13,-0.2 -0.658 46.5 162.8 -78.2 121.0 51.6 -52.7 44.7 90 354 A V E -M 75 0G 18 -15,-2.6 -15,-2.0 -2,-0.5 2,-0.4 -0.935 35.4-150.3-135.6 162.0 49.5 -51.1 42.0 91 355 A T E -M 74 0G 66 -2,-0.3 15,-0.4 -17,-0.2 2,-0.4 -0.973 23.1-165.6-134.1 116.0 46.0 -50.9 40.8 92 356 A L E -M 73 0G 2 -19,-2.2 -19,-2.2 -2,-0.4 2,-0.3 -0.842 15.5-131.7-105.1 138.0 45.6 -50.3 37.1 93 357 A N E -MP 72 104G 44 11,-2.3 11,-3.1 -2,-0.4 2,-0.4 -0.694 24.1-159.9 -89.1 142.2 42.5 -49.3 35.3 94 358 A L E -MP 71 103G 0 -23,-2.6 -23,-1.8 -2,-0.3 2,-0.4 -0.958 11.0-177.3-121.7 142.0 41.6 -51.3 32.2 95 359 A M E -MP 70 102G 2 7,-2.1 7,-3.0 -2,-0.4 2,-0.7 -0.955 16.4-152.8-143.7 124.3 39.4 -50.4 29.3 96 360 A K E +MP 69 101G 13 -27,-2.9 -27,-1.4 -2,-0.4 2,-0.5 -0.842 19.1 179.1 -89.0 114.5 38.4 -52.5 26.4 97 361 A V E > - 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