==== 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 4GU4 . COMPND 2 MOLECULE: OUTER CAPSID PROTEIN SIGMA-1; . SOURCE 2 ORGANISM_SCIENTIFIC: MAMMALIAN ORTHOREOVIRUS 1; . AUTHOR K.REISS,T.STEHLE . 615 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 26968.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 427 69.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 23 3.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 265 43.1 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 . 18 2.9 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 . 82 13.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 47 7.6 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 . 4 5 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 12 4 8 3 0 0 1 2 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 0 125 0, 0.0 2,-0.4 0, 0.0 208,-0.0 0.000 360.0 360.0 360.0-172.3 -82.4 21.4 33.1 2 266 A I + 0 0 20 1,-0.1 223,-0.2 224,-0.0 412,-0.1 -0.984 360.0 174.7-122.0 111.7 -78.9 22.7 34.2 3 267 A D + 0 0 72 221,-1.9 222,-0.2 -2,-0.4 2,-0.2 0.976 63.1 15.0 -82.8 -64.0 -77.5 20.9 37.3 4 268 A S E -a 225 0A 55 220,-1.6 222,-2.3 2,-0.0 2,-0.3 -0.658 61.2-149.9-110.9 165.8 -73.9 22.3 37.8 5 269 A V E -a 226 0A 32 220,-0.2 6,-0.2 -2,-0.2 222,-0.2 -0.982 10.1-149.9-140.1 122.1 -71.9 25.3 36.3 6 270 A L > - 0 0 82 220,-2.3 3,-0.9 -2,-0.3 222,-0.4 -0.770 38.0 -62.0 -94.5 143.0 -68.1 25.4 35.7 7 271 A P T 3 S+ 0 0 59 0, 0.0 221,-0.4 0, 0.0 234,-0.1 -0.022 116.5 41.4 -52.5 155.3 -65.9 28.7 35.9 8 272 A P T 3 S+ 0 0 0 0, 0.0 15,-0.3 0, 0.0 16,-0.0 -0.947 118.2 69.0 -57.4 -29.6 -65.6 31.4 34.6 9 273 A L < + 0 0 1 -3,-0.9 2,-0.3 13,-0.2 13,-0.2 -0.230 67.0 169.4 -55.9 135.7 -69.4 30.9 34.9 10 274 A T E -C 21 0B 36 11,-1.6 11,-1.4 -3,-0.1 2,-0.4 -0.991 26.2-139.5-148.3 150.4 -70.8 31.0 38.5 11 275 A V E -C 20 0B 55 -2,-0.3 2,-0.4 9,-0.2 9,-0.2 -0.937 16.9-172.7-116.8 136.6 -74.2 31.1 40.2 12 276 A R E -C 19 0B 176 7,-1.5 7,-3.1 -2,-0.4 2,-0.5 -0.999 10.7-157.1-131.3 124.4 -74.9 33.3 43.3 13 277 A E E +C 18 0B 85 -2,-0.4 2,-0.3 5,-0.3 5,-0.2 -0.881 28.7 153.4-100.2 127.3 -78.1 33.2 45.3 14 278 A A E > +C 17 0B 66 3,-2.2 3,-2.1 -2,-0.5 -2,-0.1 -0.917 64.2 9.7-154.9 138.3 -78.7 36.4 47.2 15 279 A S T 3 S- 0 0 135 -2,-0.3 3,-0.1 1,-0.3 -2,-0.0 0.879 131.7 -59.6 53.1 45.1 -82.0 38.0 48.3 16 280 A G T 3 S+ 0 0 91 1,-0.2 2,-0.4 0, 0.0 -1,-0.3 0.446 117.6 110.5 65.4 6.7 -83.9 34.8 47.4 17 281 A V E < -C 14 0B 51 -3,-2.1 -3,-2.2 2,-0.0 2,-0.6 -0.905 57.4-151.1-113.3 133.4 -82.7 35.2 43.7 18 282 A R E -C 13 0B 13 -2,-0.4 398,-2.3 -5,-0.2 397,-0.7 -0.920 19.4-174.4-107.6 117.9 -80.2 33.0 41.9 19 283 A T E -Cd 12 416B 26 -7,-3.1 -7,-1.5 -2,-0.6 398,-0.2 -0.941 14.2-147.6-120.5 127.2 -78.2 34.8 39.2 20 284 A L E +C 11 0B 0 396,-3.6 398,-0.3 -2,-0.5 2,-0.3 -0.458 25.7 174.2 -80.0 158.3 -75.8 33.4 36.8 21 285 A S E -C 10 0B 30 -11,-1.4 -11,-1.6 396,-0.1 2,-0.5 -0.938 33.7-109.7-170.6 150.7 -72.8 35.4 35.6 22 286 A F - 0 0 13 396,-0.4 2,-0.6 -2,-0.3 -13,-0.2 -0.700 30.6-141.4 -87.3 119.4 -69.6 35.5 33.6 23 287 A G + 0 0 16 -2,-0.5 219,-3.1 -15,-0.3 2,-0.3 -0.695 29.1 170.1 -85.0 113.6 -66.3 35.8 35.6 24 288 A Y B -e 242 0C 53 -2,-0.6 2,-0.5 217,-0.3 219,-0.2 -0.945 40.7-107.1-129.9 152.0 -63.6 38.0 34.1 25 289 A D >> - 0 0 45 217,-3.1 4,-2.8 -2,-0.3 3,-0.6 -0.580 29.4-147.4 -70.6 119.8 -60.2 39.5 35.0 26 290 A T T 34 S+ 0 0 103 -2,-0.5 -1,-0.1 1,-0.2 217,-0.0 0.589 94.0 50.1 -66.3 -18.2 -60.9 43.3 35.5 27 291 A S T 34 S+ 0 0 61 1,-0.1 -1,-0.2 3,-0.0 3,-0.1 0.729 117.3 39.8 -92.6 -25.1 -57.5 44.5 34.2 28 292 A D T <4 S+ 0 0 29 -3,-0.6 11,-1.9 214,-0.2 2,-0.2 0.853 125.3 16.3 -85.3 -43.9 -57.7 42.4 31.0 29 293 A F E < -G 38 0D 1 -4,-2.8 2,-0.3 9,-0.2 9,-0.2 -0.759 53.2-179.6-128.9 174.0 -61.5 42.9 30.2 30 294 A T E -G 37 0D 40 7,-2.3 7,-2.6 -2,-0.2 2,-0.5 -0.910 35.0 -99.6-157.4 177.4 -64.7 45.0 30.9 31 295 A I E +G 36 0D 57 -2,-0.3 2,-0.4 5,-0.2 5,-0.2 -0.962 37.5 174.0-113.5 119.9 -68.3 45.2 29.8 32 296 A I E > S-G 35 0D 78 3,-2.3 3,-1.8 -2,-0.5 -2,-0.1 -1.000 74.6 -6.9-128.9 128.8 -69.2 47.8 27.2 33 297 A N T 3 S- 0 0 149 -2,-0.4 -1,-0.2 1,-0.3 3,-0.1 0.930 130.4 -59.7 45.8 48.9 -72.7 47.9 25.7 34 298 A S T 3 S+ 0 0 68 1,-0.1 2,-0.3 -3,-0.1 -1,-0.3 0.540 116.2 106.5 59.0 19.9 -73.5 44.7 27.7 35 299 A V E < S-G 32 0D 38 -3,-1.8 -3,-2.3 384,-0.2 401,-0.3 -0.930 80.3 -97.3-125.7 152.0 -70.7 42.7 25.9 36 300 A L E +Gh 31 436D 0 399,-2.4 401,-2.7 -2,-0.3 2,-0.3 -0.449 52.7 176.2 -65.8 126.6 -67.3 41.4 26.9 37 301 A S E -G 30 0D 0 -7,-2.6 -7,-2.3 399,-0.2 2,-0.3 -0.963 33.0-106.1-135.4 150.8 -64.8 43.9 25.6 38 302 A L E -G 29 0D 25 -2,-0.3 2,-0.4 -9,-0.2 3,-0.3 -0.595 28.5-143.3 -78.4 136.8 -61.0 44.2 25.8 39 303 A R S S+ 0 0 131 -11,-1.9 -12,-0.0 -2,-0.3 -9,-0.0 -0.823 80.5 8.6 -96.2 137.9 -59.8 46.9 28.1 40 304 A S S S- 0 0 78 -2,-0.4 -1,-0.2 1,-0.2 2,-0.1 0.854 78.1-153.7 59.8 50.4 -56.7 48.8 26.8 41 305 A R - 0 0 131 -3,-0.3 2,-0.6 1,-0.1 -1,-0.2 -0.348 18.0-129.2 -58.0 116.5 -56.4 47.4 23.2 42 306 A L - 0 0 97 -2,-0.1 2,-0.4 206,-0.1 -1,-0.1 -0.663 19.7-156.3 -79.2 118.8 -52.6 47.7 22.3 43 307 A T - 0 0 100 -2,-0.6 -1,-0.0 411,-0.0 -2,-0.0 -0.821 15.7-125.9 -97.9 128.2 -52.0 49.4 19.1 44 308 A L - 0 0 56 -2,-0.4 412,-0.0 1,-0.1 2,-0.0 -0.551 30.5-117.5 -72.8 132.7 -48.7 48.7 17.2 45 309 A P - 0 0 11 0, 0.0 220,-0.2 0, 0.0 2,-0.1 -0.292 17.6-131.6 -72.9 158.3 -46.7 51.9 16.3 46 310 A T E -i 265 0E 86 218,-2.1 220,-3.0 217,-0.3 2,-0.4 -0.396 24.1-119.4 -93.4 178.1 -45.7 53.1 12.8 47 311 A Y E -i 266 0E 36 218,-0.2 2,-0.3 -2,-0.1 220,-0.2 -0.985 10.0-145.9-132.5 133.0 -42.2 54.1 11.8 48 312 A R > - 0 0 70 218,-2.4 3,-2.2 -2,-0.4 220,-0.2 -0.749 49.5 -59.7 -93.3 139.7 -40.7 57.4 10.4 49 313 A Y T 3 S+ 0 0 100 1,-0.3 219,-0.3 -2,-0.3 -1,-0.1 -0.204 123.9 33.6 -51.9 140.4 -37.9 57.3 7.9 50 314 A P T 3 S+ 0 0 15 0, 0.0 13,-3.3 0, 0.0 -1,-0.3 -0.966 115.6 71.8 -79.5 7.3 -35.0 56.1 8.1 51 315 A L E < +K 62 0F 6 -3,-2.2 2,-0.3 11,-0.2 11,-0.2 -0.675 66.3 172.7 -84.0 138.0 -36.9 53.5 10.2 52 316 A E E -K 61 0F 71 9,-2.5 9,-2.5 -2,-0.3 2,-0.6 -0.995 32.6-124.2-145.4 151.8 -39.1 51.2 8.2 53 317 A L E -K 60 0F 70 -2,-0.3 2,-1.2 7,-0.2 7,-0.2 -0.875 15.3-148.4 -98.6 118.5 -41.2 48.1 8.7 54 318 A D E >>> -K 59 0F 38 5,-3.7 5,-1.8 -2,-0.6 4,-0.8 -0.757 16.5-171.0 -81.7 96.6 -40.4 45.2 6.5 55 319 A T T 345S+ 0 0 122 -2,-1.2 -1,-0.2 1,-0.2 3,-0.1 0.784 76.8 63.4 -63.0 -30.6 -43.9 43.8 6.3 56 320 A A T 345S+ 0 0 83 1,-0.2 -1,-0.2 -3,-0.1 -2,-0.0 0.837 121.4 20.0 -63.7 -37.2 -42.8 40.6 4.5 57 321 A N T <45S- 0 0 98 -3,-0.7 401,-0.3 2,-0.2 -1,-0.2 0.261 103.4-120.9-116.7 9.4 -40.7 39.4 7.4 58 322 A N T <5 + 0 0 46 -4,-0.8 400,-2.2 1,-0.2 2,-0.4 0.948 66.0 141.7 45.8 57.7 -42.3 41.5 10.2 59 323 A R E < -Kl 54 458F 69 -5,-1.8 -5,-3.7 398,-0.3 2,-0.4 -0.997 49.2-139.0-133.7 135.8 -39.0 43.2 10.9 60 324 A V E +Kl 53 459F 4 398,-2.9 400,-2.3 -2,-0.4 2,-0.3 -0.776 37.4 158.8 -90.9 135.0 -38.0 46.8 11.8 61 325 A Q E -K 52 0F 11 -9,-2.5 -9,-2.5 -2,-0.4 2,-0.5 -0.942 46.0 -97.9-148.6 169.6 -34.9 48.1 10.1 62 326 A V E -K 51 0F 29 -2,-0.3 -11,-0.2 399,-0.3 5,-0.1 -0.813 54.3-105.0 -88.9 131.6 -32.9 51.2 9.0 63 327 A A >> - 0 0 6 -13,-3.3 3,-0.9 -2,-0.5 4,-0.5 -0.235 20.5-130.6 -56.7 140.4 -33.6 51.9 5.3 64 328 A D H >> S+ 0 0 105 1,-0.2 3,-1.1 2,-0.2 4,-0.8 0.873 104.4 61.7 -61.8 -38.3 -30.7 50.9 3.0 65 329 A R H 34 S+ 0 0 107 1,-0.3 -1,-0.2 2,-0.2 33,-0.1 0.702 88.3 73.3 -62.5 -22.2 -30.7 54.3 1.2 66 330 A F H <4 S+ 0 0 27 -3,-0.9 32,-2.7 1,-0.2 -1,-0.3 0.883 99.9 43.4 -59.9 -41.0 -29.9 56.0 4.5 67 331 A G H << S+ 0 0 4 -3,-1.1 2,-0.3 -4,-0.5 -1,-0.2 0.714 132.2 10.1 -75.3 -26.1 -26.3 54.7 4.4 68 332 A M < + 0 0 24 -4,-0.8 2,-0.4 29,-0.1 -1,-0.3 -0.797 56.3 162.3-163.5 120.6 -25.9 55.5 0.7 69 333 A R E -M 96 0G 27 27,-1.4 27,-2.9 -2,-0.3 2,-0.2 -0.977 23.6-159.0-137.4 117.2 -27.9 57.5 -1.9 70 334 A T E +M 95 0G 76 -2,-0.4 2,-0.3 25,-0.2 25,-0.2 -0.587 20.9 144.3 -98.9 162.7 -26.1 58.5 -5.1 71 335 A G E -M 94 0G 7 23,-1.8 23,-2.6 -2,-0.2 2,-0.3 -0.956 31.2-123.8-173.2-179.3 -26.8 61.2 -7.7 72 336 A T E -M 93 0G 46 -2,-0.3 56,-2.2 21,-0.2 2,-0.5 -0.990 5.5-151.0-142.3 151.2 -25.4 63.8 -10.0 73 337 A W E -MN 92 127G 3 19,-2.3 19,-2.3 -2,-0.3 2,-0.5 -0.995 12.0-168.9-122.4 128.3 -25.6 67.5 -10.6 74 338 A T E +M 91 0G 75 52,-2.0 2,-0.3 -2,-0.5 17,-0.2 -0.980 39.1 89.5-118.0 123.4 -25.0 68.8 -14.1 75 339 A G E S-M 90 0G 20 15,-2.0 15,-2.5 -2,-0.5 2,-0.5 -0.916 74.9 -52.2-175.6-158.6 -24.7 72.5 -14.5 76 340 A Q E -M 89 0G 80 -2,-0.3 2,-0.5 13,-0.2 46,-0.5 -0.933 38.6-140.2-111.1 122.9 -22.3 75.4 -14.5 77 341 A L E -M 88 0G 1 11,-3.0 11,-2.1 -2,-0.5 2,-0.5 -0.693 25.0-146.5 -75.8 121.8 -19.9 76.0 -11.7 78 342 A Q E -MO 87 120G 16 42,-2.5 42,-2.6 -2,-0.5 2,-0.4 -0.856 10.4-160.5-100.4 125.5 -19.8 79.7 -11.1 79 343 A Y E -MO 86 119G 1 7,-2.7 7,-1.3 -2,-0.5 2,-0.4 -0.877 16.7-165.8 -99.4 133.7 -16.7 81.5 -10.0 80 344 A Q E +MO 85 118G 62 38,-2.7 38,-2.0 -2,-0.4 5,-0.2 -0.975 25.6 138.8-132.6 127.3 -17.4 84.9 -8.5 81 345 A H E > -M 84 0G 26 3,-0.7 3,-1.2 -2,-0.4 36,-0.1 -0.959 55.7-115.0-154.9 144.0 -15.2 87.8 -7.7 82 346 A P T 3 S+ 0 0 115 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 0.834 117.8 35.8 -52.8 -33.9 -15.9 91.5 -8.2 83 347 A Q T 3 S+ 0 0 147 1,-0.2 2,-0.3 -3,-0.0 -3,-0.0 0.377 128.3 26.3-101.2 -0.8 -13.0 91.8 -10.7 84 348 A L E < +M 81 0G 49 -3,-1.2 -3,-0.7 2,-0.0 2,-0.3 -0.884 60.7 162.1-164.8 129.0 -13.4 88.4 -12.4 85 349 A S E +M 80 0G 83 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.985 6.6 160.2-153.0 142.9 -16.2 85.9 -12.9 86 350 A W E -M 79 0G 24 -7,-1.3 -7,-2.7 -2,-0.3 2,-0.4 -0.941 29.0-125.5-153.6 171.7 -16.9 82.9 -15.1 87 351 A R E -M 78 0G 152 -2,-0.3 2,-0.4 -9,-0.2 -9,-0.2 -0.989 19.4-169.1-128.1 134.1 -18.9 79.7 -15.6 88 352 A A E -M 77 0G 17 -11,-2.1 -11,-3.0 -2,-0.4 2,-0.5 -0.979 26.3-118.7-126.3 137.2 -17.5 76.2 -16.2 89 353 A N E +M 76 0G 132 -2,-0.4 2,-0.3 -13,-0.2 -13,-0.2 -0.621 47.0 162.8 -76.6 120.5 -19.5 73.2 -17.3 90 354 A V E -M 75 0G 20 -15,-2.5 -15,-2.0 -2,-0.5 2,-0.4 -0.946 34.9-155.6-136.3 161.3 -19.2 70.5 -14.7 91 355 A T E -M 74 0G 70 -2,-0.3 15,-0.5 -17,-0.2 2,-0.4 -0.984 22.9-171.4-132.4 117.1 -20.8 67.3 -13.6 92 356 A L E -M 73 0G 1 -19,-2.3 -19,-2.3 -2,-0.4 2,-0.3 -0.904 19.5-125.7-115.5 145.3 -20.3 66.5 -10.0 93 357 A N E -MP 72 104G 46 11,-2.1 11,-3.1 -2,-0.4 2,-0.4 -0.671 24.4-159.6 -87.3 144.0 -21.2 63.3 -8.1 94 358 A L E -MP 71 103G 0 -23,-2.6 -23,-1.8 -2,-0.3 2,-0.3 -0.954 10.0-177.5-123.7 143.6 -23.3 63.4 -5.0 95 359 A M E -MP 70 102G 1 7,-2.0 7,-3.0 -2,-0.4 2,-0.7 -0.960 17.4-150.9-145.4 127.0 -23.8 61.0 -2.2 96 360 A K E +MP 69 101G 10 -27,-2.9 -27,-1.4 -2,-0.3 2,-0.5 -0.850 19.7 179.0 -88.9 115.1 -26.0 61.1 0.8 97 361 A V E > - 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