==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER VIRAL PROTEIN 06-MAR-04 1SLQ . COMPND 2 MOLECULE: VP4; . SOURCE 2 ORGANISM_SCIENTIFIC: RHESUS ROTAVIRUS; . AUTHOR P.R.DORMITZER,E.B.NASON,B.V.V.PRASAD,S.C.HARRISON . 1604 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 66290.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1105 68.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 62 3.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 609 38.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 5 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 19 1.2 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 . 1 0.1 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 . 180 11.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 73 4.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 136 8.5 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 2 0 0 0 1 0 0 0 1 RESIDUES PER ALPHA HELIX . 7 6 0 3 2 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 . 23 16 11 2 21 9 2 10 0 0 1 5 0 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 2 5 3 5 5 0 1 2 2 1 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 1 253 A D 0 0 88 0, 0.0 2,-0.3 0, 0.0 14,-0.2 0.000 360.0 360.0 360.0 162.0 -3.4 187.6 6.4 2 254 A I E -A 14 0A 97 12,-1.8 12,-2.2 0, 0.0 2,-0.3 -0.918 360.0-127.3-132.1 156.5 -6.2 185.3 5.3 3 255 A V E +A 13 0A 90 -2,-0.3 10,-0.2 10,-0.2 3,-0.1 -0.730 22.3 175.3 -97.4 147.9 -8.4 182.6 6.7 4 256 A V E - 0 0 64 8,-2.3 2,-0.3 1,-0.4 9,-0.2 0.632 60.3 -4.7-127.8 -25.2 -8.7 179.2 4.9 5 257 A S E -A 12 0A 50 7,-1.1 7,-2.2 2,-0.1 -1,-0.4 -0.949 52.5-156.5-169.3 147.1 -10.8 176.8 6.9 6 258 A K E +A 11 0A 154 -2,-0.3 2,-0.4 5,-0.2 5,-0.2 -0.940 14.0 169.6-143.0 120.4 -12.5 176.6 10.2 7 259 A T E > -A 10 0A 38 3,-2.2 3,-0.6 -2,-0.4 217,-0.3 -0.942 53.8 -98.9-116.1 135.5 -13.5 173.6 12.4 8 260 A S T 3 S+ 0 0 99 -2,-0.4 217,-0.1 1,-0.3 -1,-0.1 0.739 118.4 28.8 -25.6 -62.8 -14.7 174.6 16.0 9 261 A L T 3 S+ 0 0 11 215,-0.1 216,-0.9 214,-0.1 215,-0.7 0.869 124.9 40.1 -74.1 -36.5 -11.5 173.9 17.9 10 262 A W E < -AB 7 223A 3 -3,-0.6 -3,-2.2 213,-0.3 2,-0.3 -0.731 57.7-162.7-121.2 163.4 -9.0 174.6 15.1 11 263 A K E -AB 6 222A 31 211,-1.6 211,-1.2 -2,-0.2 2,-0.5 -0.993 15.4-139.2-146.3 149.8 -8.2 176.8 12.2 12 264 A E E +AB 5 221A 17 -7,-2.2 -8,-2.3 -2,-0.3 -7,-1.1 -0.937 31.0 177.7-109.8 115.4 -6.1 177.0 9.0 13 265 A M E -AB 3 220A 17 207,-1.8 207,-2.0 -2,-0.5 2,-0.6 -0.939 27.2-145.7-127.1 149.7 -4.4 180.3 8.3 14 266 A Q E -AB 2 219A 56 -12,-2.2 -12,-1.8 -2,-0.3 2,-0.5 -0.934 20.6-161.1-108.7 114.7 -2.0 181.8 5.7 15 267 A Y E - B 0 218A 6 203,-2.8 203,-2.4 -2,-0.6 2,-0.4 -0.855 9.0-176.5-100.4 132.1 0.3 184.4 7.2 16 268 A N + 0 0 58 -2,-0.5 2,-0.3 201,-0.2 201,-0.2 -0.944 15.3 161.4-130.7 108.9 1.9 186.8 4.9 17 269 A R - 0 0 25 -2,-0.4 199,-2.1 199,-0.4 2,-0.4 -0.933 35.6-135.6-133.9 153.8 4.4 189.2 6.4 18 270 A D E -C 215 0A 85 -2,-0.3 2,-0.3 197,-0.2 197,-0.3 -0.881 35.8-172.2-102.6 133.8 7.3 191.5 5.4 19 271 A I E -C 214 0A 6 195,-3.5 195,-2.2 -2,-0.4 2,-0.5 -0.885 29.5-138.1-133.1 163.9 10.2 191.3 7.7 20 272 A T E -C 213 0A 31 -2,-0.3 2,-0.7 193,-0.2 193,-0.2 -0.968 24.7-156.3-118.3 109.1 13.6 192.8 8.6 21 273 A I E +C 212 0A 4 191,-3.6 191,-2.1 -2,-0.5 2,-0.5 -0.792 14.2 177.6 -95.9 111.4 16.2 190.2 9.3 22 274 A R E +C 211 0A 49 -2,-0.7 2,-0.3 189,-0.2 189,-0.2 -0.952 14.3 161.6-111.6 125.7 19.2 191.3 11.5 23 275 A F E -C 210 0A 2 187,-2.4 187,-2.6 -2,-0.5 2,-0.2 -0.885 19.7-157.4-139.2 172.7 21.7 188.6 12.3 24 276 A K - 0 0 66 23,-0.5 23,-0.2 -2,-0.3 2,-0.2 -0.789 14.4-121.6-141.9 176.9 25.3 188.1 13.5 25 277 A F - 0 0 10 -2,-0.2 2,-0.3 21,-0.1 42,-0.1 -0.695 15.3-158.5-118.4 174.8 28.1 185.6 13.6 26 278 A A - 0 0 22 19,-0.4 19,-1.3 -2,-0.2 2,-0.4 -0.989 5.7-169.4-153.6 145.9 30.2 183.8 16.3 27 279 A S E -F 44 0B 28 -2,-0.3 2,-0.5 17,-0.2 17,-0.2 -0.978 19.1-138.0-147.1 133.8 33.6 182.2 16.3 28 280 A S E -F 43 0B 7 15,-1.1 15,-1.3 -2,-0.4 2,-0.5 -0.773 22.2-169.9 -87.4 126.5 35.5 180.0 18.7 29 281 A I E -F 42 0B 60 -2,-0.5 2,-0.6 13,-0.2 13,-0.2 -0.897 3.2-175.0-123.4 103.8 39.2 181.0 18.9 30 282 A V E -F 41 0B 12 11,-1.5 10,-2.1 -2,-0.5 11,-1.4 -0.849 9.8-156.1-104.7 118.6 41.5 178.7 20.8 31 283 A K E -F 39 0B 55 -2,-0.6 8,-0.2 8,-0.2 2,-0.2 -0.664 20.1-126.6 -87.6 145.1 45.1 179.7 21.3 32 284 A S - 0 0 23 6,-1.6 6,-0.2 -2,-0.3 -1,-0.0 -0.616 22.8-121.9 -92.1 155.1 47.5 176.8 21.9 33 285 A G S > S+ 0 0 15 -2,-0.2 3,-0.7 3,-0.1 2,-0.5 0.274 71.4 68.1 -75.9-155.9 49.8 176.7 24.9 34 286 A G T 3 S- 0 0 28 1,-0.2 496,-0.1 490,-0.1 497,-0.1 -0.712 118.4 -8.7 83.3-123.6 53.6 176.5 25.1 35 287 A L T 3 S- 0 0 35 -2,-0.5 -1,-0.2 47,-0.1 -2,-0.1 0.908 91.5-116.6 -76.0 -44.2 55.3 179.8 23.9 36 288 A G S < S+ 0 0 3 -3,-0.7 -2,-0.1 46,-0.1 -3,-0.1 0.515 87.0 107.8 116.4 10.9 52.2 181.4 22.6 37 289 A Y + 0 0 37 45,-0.4 49,-1.5 -4,-0.2 2,-0.4 0.586 65.4 75.8 -91.6 -14.9 53.2 181.5 18.9 38 290 A K E - g 0 86B 49 -5,-0.4 -6,-1.6 -6,-0.2 2,-0.4 -0.818 64.1-155.4-104.9 139.7 50.8 178.8 17.8 39 291 A W E -Fg 31 87B 8 47,-2.4 49,-2.5 -2,-0.4 -8,-0.2 -0.917 1.1-159.2-112.9 138.1 47.1 179.1 17.4 40 292 A S E - 0 0 18 -10,-2.1 49,-0.5 -2,-0.4 2,-0.3 0.983 57.7 -21.3 -80.1 -66.0 44.9 176.1 17.6 41 293 A E E -Fg 30 89B 6 -11,-1.4 -11,-1.5 47,-0.2 -1,-0.2 -0.979 29.6-164.3-150.0 162.8 41.6 176.9 15.8 42 294 A I E +Fg 29 90B 2 47,-1.2 49,-2.5 -2,-0.3 158,-0.4 -0.625 34.6 162.4-145.6 77.8 39.1 179.5 14.5 43 295 A S E -F 28 0B 10 -15,-1.3 -15,-1.1 47,-0.2 2,-0.2 -0.444 35.6-116.6 -95.4 169.5 35.8 177.8 13.8 44 296 A F E -F 27 0B 15 -17,-0.2 -17,-0.2 -2,-0.1 -1,-0.1 -0.499 32.4-176.5 -95.4 173.7 32.4 179.3 13.3 45 297 A K - 0 0 61 -19,-1.3 -19,-0.4 -2,-0.2 21,-0.1 -0.979 38.6 -65.1-165.8 158.5 29.5 178.6 15.7 46 298 A P - 0 0 49 0, 0.0 2,-0.5 0, 0.0 21,-0.2 -0.257 47.9-156.4 -54.3 136.0 25.8 179.3 16.1 47 299 A A E -J 66 0C 5 19,-1.1 19,-2.8 -23,-0.2 -23,-0.5 -0.906 1.8-157.0-124.3 105.5 25.1 183.1 16.6 48 300 A N E +J 65 0C 44 -2,-0.5 2,-0.3 17,-0.3 17,-0.3 -0.565 14.4 175.3 -80.3 138.6 22.0 184.3 18.4 49 301 A Y E -J 64 0C 39 15,-2.9 15,-2.5 -2,-0.2 2,-0.5 -0.934 6.5-178.4-146.8 119.2 20.8 187.8 17.8 50 302 A Q E +J 63 0C 135 -2,-0.3 13,-0.2 13,-0.3 2,-0.2 -0.987 14.7 165.2-121.3 124.1 17.5 189.2 19.1 51 303 A Y E -J 62 0C 10 11,-1.5 11,-0.9 -2,-0.5 2,-0.1 -0.581 33.4-134.6-124.1-177.2 16.6 192.8 18.3 52 304 A T E -J 61 0C 85 9,-0.2 2,-0.3 -2,-0.2 9,-0.2 -0.596 26.3-177.5-146.2 79.6 13.5 195.2 18.4 53 305 A Y E -J 60 0C 10 7,-1.1 7,-1.5 -33,-0.1 2,-0.4 -0.606 32.9-108.7 -84.9 141.4 13.1 197.2 15.2 54 306 A T E +J 59 0C 128 -2,-0.3 5,-0.2 5,-0.2 -1,-0.1 -0.523 46.5 163.9 -72.1 120.7 10.3 199.7 14.8 55 307 A R - 0 0 97 3,-1.7 2,-0.6 -2,-0.4 4,-0.1 0.213 49.9 -49.4-106.8-131.7 7.5 198.6 12.5 56 308 A D S S- 0 0 148 1,-0.1 3,-0.1 -2,-0.0 -2,-0.0 -0.921 113.3 -21.7-121.9 111.2 4.0 200.0 12.1 57 309 A G S S+ 0 0 79 -2,-0.6 2,-0.3 1,-0.1 -1,-0.1 0.679 134.4 54.4 68.8 16.9 1.9 200.5 15.2 58 310 A E S S- 0 0 103 2,-0.0 -3,-1.7 0, 0.0 2,-0.7 -0.924 80.7-122.0-173.6 150.2 4.1 198.0 16.9 59 311 A E E -J 54 0C 128 -2,-0.3 2,-0.6 -5,-0.2 -5,-0.2 -0.921 35.1-133.4-106.1 111.1 7.8 197.3 17.6 60 312 A V E -J 53 0C 4 -7,-1.5 -7,-1.1 -2,-0.7 2,-0.9 -0.548 12.6-156.8 -72.2 110.5 8.7 193.9 16.2 61 313 A T E +J 52 0C 43 -2,-0.6 45,-2.9 -9,-0.2 2,-0.3 -0.768 24.5 171.0 -92.1 102.4 10.7 191.6 18.5 62 314 A A E -JK 51 105C 1 -2,-0.9 -11,-1.5 -11,-0.9 2,-0.3 -0.756 18.7-159.7-113.5 158.8 12.6 189.1 16.4 63 315 A H E -JK 50 104C 10 41,-4.1 41,-2.7 -2,-0.3 2,-0.3 -0.993 10.3-177.9-138.3 139.9 15.2 186.6 17.1 64 316 A T E -JK 49 103C 0 -15,-2.5 -15,-2.9 -2,-0.3 2,-0.4 -0.955 18.6-156.3-138.3 159.9 17.7 184.9 14.8 65 317 A T E -JK 48 102C 0 37,-1.2 37,-2.0 -2,-0.3 2,-0.8 -0.981 16.7-151.6-133.9 117.0 20.5 182.3 15.0 66 318 A C E +JK 47 101C 1 -19,-2.8 -19,-1.1 -2,-0.4 2,-0.2 -0.825 22.5 175.8 -98.3 111.4 23.1 182.5 12.2 67 319 A S E - K 0 100C 15 33,-3.1 33,-2.2 -2,-0.8 2,-0.3 -0.695 17.1-144.0-109.6 163.2 24.6 179.2 11.4 68 320 A V E - K 0 99C 26 -2,-0.2 2,-0.3 31,-0.2 31,-0.2 -0.937 11.5-169.3-127.6 149.2 27.2 178.0 8.8 69 321 A N E + K 0 98C 70 29,-2.5 29,-2.0 -2,-0.3 -2,-0.0 -0.971 63.6 10.9-139.0 151.2 27.5 174.8 6.8 70 322 A G S S+ 0 0 37 -2,-0.3 24,-0.2 27,-0.2 -1,-0.1 0.751 77.2 174.0 56.7 29.4 30.2 173.3 4.5 71 323 A M - 0 0 49 22,-0.1 2,-0.3 27,-0.1 22,-0.2 -0.226 29.4-111.3 -64.1 158.6 32.9 175.7 5.5 72 324 A N E -H 92 0B 37 20,-3.5 20,-2.4 1,-0.0 2,-0.8 -0.735 16.6-131.8 -99.7 140.9 36.5 175.3 4.3 73 325 A D E +H 91 0B 97 -2,-0.3 18,-0.2 18,-0.2 2,-0.2 -0.808 34.3 166.3 -94.4 107.1 39.5 174.4 6.4 74 326 A F E +H 90 0B 48 16,-2.5 16,-1.5 -2,-0.8 2,-0.3 -0.397 7.2 177.5-103.7-174.7 42.5 176.6 5.8 75 327 A N E - 0 0 96 14,-0.2 2,-0.4 -2,-0.2 13,-0.2 -0.971 22.7-135.5-178.3 166.8 45.6 176.9 7.8 76 328 A F E -H 87 0B 14 11,-2.7 11,-2.9 -2,-0.3 2,-0.5 -0.983 12.1-175.8-142.2 133.0 49.0 178.5 8.1 77 329 A N E +H 86 0B 91 -2,-0.4 9,-0.2 9,-0.2 3,-0.1 -0.833 7.6 172.0-132.3 93.4 52.3 176.9 9.1 78 330 A G - 0 0 13 7,-2.2 7,-0.3 -2,-0.5 2,-0.2 0.102 66.9 -38.4 -91.2 26.1 55.1 179.3 9.5 79 331 A G - 0 0 20 5,-0.2 -1,-0.2 1,-0.1 0, 0.0 -0.610 49.2-105.4 137.1 161.7 57.6 176.7 10.9 80 332 A S S S+ 0 0 114 -2,-0.2 -1,-0.1 -3,-0.1 6,-0.0 0.303 85.8 100.4 -99.9 5.1 57.9 173.7 13.2 81 333 A L S > S- 0 0 100 1,-0.1 3,-1.6 -3,-0.1 -3,-0.1 -0.544 85.7-113.0 -95.7 160.2 59.6 175.7 15.9 82 334 A P T 3 S+ 0 0 73 0, 0.0 -45,-0.4 0, 0.0 -46,-0.1 0.679 120.1 48.9 -58.4 -22.3 58.2 177.3 19.2 83 335 A T T 3 S+ 0 0 78 2,-0.1 2,-0.5 -46,-0.1 -3,-0.0 0.539 86.3 98.7 -98.3 -8.0 58.9 180.6 17.6 84 336 A D S < S- 0 0 44 -3,-1.6 -5,-0.2 1,-0.1 -6,-0.1 -0.724 76.5-120.6 -86.8 121.6 57.3 180.0 14.2 85 337 A F + 0 0 21 -2,-0.5 -7,-2.2 -7,-0.3 2,-0.3 -0.259 39.8 174.6 -59.3 144.0 53.8 181.5 14.0 86 338 A V E -gH 38 77B 10 -49,-1.5 -47,-2.4 -9,-0.2 2,-0.4 -0.996 34.1-164.7-157.3 148.7 51.0 179.0 13.1 87 339 A I E -gH 39 76B 0 -11,-2.9 -11,-2.7 -2,-0.3 3,-0.2 -0.901 15.8-163.7-134.0 97.1 47.2 178.7 12.8 88 340 A S E S- 0 0 67 -49,-2.5 2,-0.3 -2,-0.4 -47,-0.2 0.812 72.3 -8.5 -53.6 -37.4 46.6 175.0 12.8 89 341 A R E +g 41 0B 70 -49,-0.5 -47,-1.2 -50,-0.2 2,-0.4 -0.849 60.8 174.5-168.2 126.0 43.1 175.4 11.3 90 342 A Y E -gH 42 74B 5 -16,-1.5 -16,-2.5 -2,-0.3 2,-0.3 -0.998 28.4-125.5-138.1 134.7 40.8 178.3 10.6 91 343 A E E + H 0 73B 17 -49,-2.5 109,-2.8 -2,-0.4 2,-0.4 -0.588 26.6 178.9 -83.6 138.2 37.4 178.1 8.8 92 344 A V E -IH 199 72B 0 -20,-2.4 -20,-3.5 -2,-0.3 2,-0.4 -0.994 20.3-133.2-137.8 140.0 36.6 180.2 5.8 93 345 A I E +I 198 0B 1 105,-2.4 105,-2.0 -2,-0.4 2,-0.2 -0.830 29.8 162.6-101.8 134.3 33.4 180.2 3.7 94 346 A K > - 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