==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER VIRAL PROTEIN 07-DEC-01 1KKE . COMPND 2 MOLECULE: SIGMA 1 PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: MAMMALIAN ORTHOREOVIRUS 3; . AUTHOR J.D.CHAPPELL,A.E.PROTA,T.S.DERMODY,T.STEHLE . 617 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 25959.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 448 72.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 19 3.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 259 42.0 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 . 3 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 12 1.9 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 . 100 16.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 52 8.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 12 1.9 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 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 . 8 1 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 . 6 1 9 8 4 3 6 3 0 0 0 0 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 8 1 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 1 250 A E 0 0 218 0, 0.0 2,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -54.8 43.3 72.4 -17.8 2 251 A Q - 0 0 112 15,-0.0 2,-0.3 2,-0.0 13,-0.0 -0.729 360.0-132.8-134.4-178.4 41.0 75.0 -16.1 3 252 A S - 0 0 67 -2,-0.2 13,-1.3 2,-0.0 14,-0.4 -0.997 12.6-161.1-146.0 142.6 41.2 77.4 -13.1 4 253 A Y E -A 15 0A 85 -2,-0.3 11,-0.2 11,-0.2 2,-0.2 -0.911 29.4-102.2-126.3 151.2 38.8 78.1 -10.2 5 254 A V E > -A 14 0A 46 9,-2.3 3,-1.4 -2,-0.3 9,-0.5 -0.530 25.7-130.8 -72.1 137.2 38.5 81.0 -7.8 6 255 A A T 3 S+ 0 0 99 1,-0.3 -1,-0.1 -2,-0.2 427,-0.0 0.642 96.7 80.5 -62.1 -16.1 40.0 80.4 -4.3 7 256 A S T 3 S+ 0 0 48 426,-0.1 427,-2.8 1,-0.1 2,-0.7 0.719 80.0 64.8 -66.2 -27.3 36.7 81.7 -2.9 8 257 A A B < S-d 434 0B 13 -3,-1.4 2,-0.3 425,-0.2 6,-0.3 -0.899 79.7-148.1-103.9 113.2 34.6 78.5 -3.3 9 258 A V > - 0 0 64 425,-2.5 3,-1.8 -2,-0.7 -2,-0.1 -0.610 38.4 -63.9 -79.0 138.3 36.1 75.7 -1.2 10 259 A T T 3 S+ 0 0 75 1,-0.4 426,-0.3 -2,-0.3 440,-0.1 -0.188 122.3 41.1 -56.0 152.2 35.8 72.1 -2.5 11 260 A P T 3 S+ 0 0 2 0, 0.0 13,-2.9 0, 0.0 -1,-0.4 -0.993 119.8 65.7 -66.9 -1.1 33.6 70.2 -3.2 12 261 A L E < - B 0 23A 0 -3,-1.8 2,-0.3 11,-0.2 11,-0.2 -0.548 66.8-176.6 -81.9 150.9 32.3 73.6 -4.4 13 262 A R E - B 0 22A 69 9,-2.0 9,-2.1 -2,-0.2 2,-0.6 -0.929 17.2-156.4-154.9 125.3 34.1 75.2 -7.3 14 263 A L E -AB 5 21A 19 -9,-0.5 -9,-2.3 -2,-0.3 2,-0.6 -0.915 22.2-134.2-102.1 117.5 33.6 78.6 -9.0 15 264 A N E > -A 4 0A 15 5,-2.5 4,-2.1 -2,-0.6 -11,-0.2 -0.637 11.1-150.1 -72.2 116.1 34.9 78.7 -12.6 16 265 A S T 4 S+ 0 0 39 -13,-1.3 -1,-0.2 -2,-0.6 -12,-0.1 0.744 91.1 40.8 -60.2 -27.3 36.8 82.0 -12.8 17 266 A S T 4 S+ 0 0 94 -14,-0.4 -1,-0.2 3,-0.1 -13,-0.1 0.946 128.7 24.6 -83.9 -63.6 36.1 82.4 -16.5 18 267 A T T 4 S- 0 0 83 2,-0.1 194,-0.2 1,-0.0 -2,-0.2 0.665 93.0-141.4 -76.9 -17.3 32.5 81.3 -16.9 19 268 A K < + 0 0 80 -4,-2.1 193,-0.9 1,-0.2 2,-0.4 0.770 46.7 151.9 56.9 31.2 31.7 82.1 -13.3 20 269 A V - 0 0 40 -5,-0.2 -5,-2.5 191,-0.1 2,-0.5 -0.738 37.2-144.3 -91.5 133.1 29.5 79.1 -13.1 21 270 A L E +Bc 14 214A 4 192,-1.9 194,-3.1 -2,-0.4 2,-0.2 -0.912 31.8 153.1-104.7 122.9 29.3 77.5 -9.6 22 271 A D E -B 13 0A 30 -9,-2.1 -9,-2.0 -2,-0.5 2,-0.4 -0.778 34.2-118.1-136.3-177.7 29.0 73.7 -9.4 23 272 A M E -B 12 0A 19 193,-0.3 2,-0.6 -2,-0.2 -11,-0.2 -0.972 15.8-130.1-131.2 142.7 29.8 70.9 -7.0 24 273 A L - 0 0 35 -13,-2.9 427,-2.4 -2,-0.4 2,-0.4 -0.821 31.4-178.0 -94.1 124.0 32.1 67.9 -7.3 25 274 A I B -f 451 0C 33 -2,-0.6 2,-1.1 425,-0.3 427,-0.2 -0.944 33.0-122.9-124.9 137.0 30.4 64.6 -6.4 26 275 A D >> - 0 0 28 425,-3.1 4,-2.8 -2,-0.4 3,-1.9 -0.741 25.2-159.4 -78.6 104.2 31.7 61.1 -6.2 27 276 A S T 34 S+ 0 0 86 -2,-1.1 -1,-0.2 1,-0.3 425,-0.0 0.679 84.4 65.7 -59.3 -20.6 29.3 59.4 -8.6 28 277 A S T 34 S+ 0 0 82 1,-0.1 -1,-0.3 -3,-0.1 3,-0.1 0.713 120.0 21.4 -75.8 -15.5 30.0 55.9 -7.2 29 278 A T T <4 S+ 0 0 26 -3,-1.9 12,-2.6 1,-0.2 2,-0.3 0.652 127.5 38.7-121.7 -26.4 28.4 57.0 -3.9 30 279 A L E < +H 40 0D 2 -4,-2.8 2,-0.3 10,-0.2 -1,-0.2 -0.880 56.9 175.4-129.5 156.9 26.2 60.0 -4.8 31 280 A E E -H 39 0D 82 8,-2.3 8,-2.7 -2,-0.3 2,-0.5 -0.923 29.4-108.3-150.5 172.0 23.9 61.0 -7.7 32 281 A I E -H 38 0D 78 -2,-0.3 6,-0.2 6,-0.2 199,-0.1 -0.930 32.1-126.1-115.8 130.3 21.5 63.7 -8.7 33 282 A N > - 0 0 45 4,-3.4 3,-1.4 -2,-0.5 -1,-0.0 -0.073 24.7-111.4 -60.5 170.9 17.8 63.3 -8.8 34 283 A S T 3 S+ 0 0 135 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.732 126.6 56.0 -74.5 -23.6 15.4 64.0 -11.7 35 284 A S T 3 S- 0 0 82 2,-0.1 -1,-0.3 195,-0.0 3,-0.1 0.277 125.4-109.2 -88.3 5.5 14.3 66.8 -9.3 36 285 A G S < S+ 0 0 10 -3,-1.4 194,-0.3 1,-0.2 2,-0.3 0.656 72.6 141.5 74.4 19.2 17.9 68.0 -9.2 37 286 A Q - 0 0 51 179,-0.1 -4,-3.4 192,-0.1 2,-0.4 -0.669 56.3-116.9 -96.3 147.5 18.5 66.9 -5.6 38 287 A L E +Hi 32 231D 1 192,-2.9 194,-3.0 -2,-0.3 2,-0.3 -0.654 44.5 173.5 -79.4 131.2 21.6 65.3 -4.2 39 288 A T E -H 31 0D 6 -8,-2.7 -8,-2.3 -2,-0.4 2,-0.3 -0.958 33.4-108.5-141.3 156.6 20.9 61.7 -3.1 40 289 A V E -H 30 0D 31 -2,-0.3 2,-0.4 -10,-0.2 -10,-0.2 -0.640 43.0-105.2 -82.7 141.6 22.8 58.7 -1.8 41 290 A R - 0 0 123 -12,-2.6 2,-0.3 -2,-0.3 -1,-0.1 -0.548 34.1-121.0 -73.1 122.1 23.2 55.7 -4.1 42 291 A S - 0 0 116 -2,-0.4 2,-0.3 1,-0.0 -1,-0.1 -0.463 29.7-154.9 -64.0 118.1 20.9 52.9 -3.1 43 292 A T - 0 0 131 -2,-0.3 -1,-0.0 -3,-0.0 -3,-0.0 -0.757 8.9-137.6 -99.5 145.0 22.9 49.8 -2.3 44 293 A S - 0 0 104 -2,-0.3 2,-0.2 0, 0.0 -2,-0.0 -0.885 22.2-136.7-102.1 118.9 21.6 46.2 -2.6 45 294 A P - 0 0 71 0, 0.0 2,-0.5 0, 0.0 425,-0.1 -0.557 15.3-122.0 -77.2 141.7 22.7 44.0 0.4 46 295 A N - 0 0 96 -2,-0.2 425,-3.2 423,-0.2 2,-0.4 -0.733 28.1-159.4 -84.4 125.6 23.9 40.5 -0.3 47 296 A L B -j 471 0E 41 -2,-0.5 2,-0.5 423,-0.3 425,-0.2 -0.898 3.1-155.6-111.4 135.9 21.9 37.9 1.6 48 297 A R > - 0 0 77 423,-2.7 3,-2.2 -2,-0.4 425,-0.2 -0.941 39.0 -71.3-113.5 129.6 23.1 34.3 2.3 49 298 A Y T 3 S+ 0 0 104 -2,-0.5 424,-0.3 1,-0.4 3,-0.1 -0.192 121.6 35.5 -50.8 141.0 20.7 31.5 3.0 50 299 A P T 3 S+ 0 0 0 0, 0.0 11,-3.6 0, 0.0 2,-0.5 -0.998 116.6 66.4 -70.1 -10.4 19.0 31.0 5.4 51 300 A I E < S+L 60 0F 3 -3,-2.2 2,-0.3 9,-0.2 9,-0.2 -0.664 74.1 150.0 -76.4 122.1 18.7 34.8 5.3 52 301 A A E -L 59 0F 28 7,-1.6 7,-2.7 -2,-0.5 2,-0.6 -0.835 52.8 -73.2-142.8 178.2 16.8 35.7 2.2 53 302 A D E -L 58 0F 99 -2,-0.3 2,-0.6 5,-0.2 5,-0.2 -0.701 40.2-170.7 -82.1 122.7 14.5 38.2 0.7 54 303 A V E > S-L 57 0F 39 3,-3.0 3,-1.4 -2,-0.6 6,-0.0 -0.882 72.2 -36.7-116.6 93.2 11.0 37.8 2.1 55 304 A S T 3 S- 0 0 97 -2,-0.6 2,-0.4 1,-0.3 -1,-0.1 0.949 119.9 -46.3 57.4 56.8 8.6 40.0 0.1 56 305 A G T 3 S+ 0 0 58 1,-0.2 -1,-0.3 0, 0.0 196,-0.2 0.041 126.3 94.6 79.2 -32.2 11.0 42.9 -0.5 57 306 A G E < S-L 54 0F 0 -3,-1.4 -3,-3.0 -2,-0.4 2,-0.5 -0.425 85.2-102.9 -89.3 166.8 12.1 42.8 3.2 58 307 A I E +Lm 53 253F 14 194,-3.1 196,-3.3 -5,-0.2 2,-0.2 -0.797 62.3 129.0 -91.2 125.5 15.0 41.0 4.7 59 308 A G E -L 52 0F 0 -7,-2.7 -7,-1.6 -2,-0.5 2,-0.5 -0.678 58.2 -62.3-149.3-154.6 14.0 37.9 6.5 60 309 A M E -L 51 0F 5 195,-0.3 -9,-0.2 -9,-0.2 5,-0.1 -0.938 54.9-108.7-112.3 119.9 14.5 34.2 7.0 61 310 A S >> - 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