==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER VIRAL PROTEIN 15-DEC-03 1RVT . COMPND 2 MOLECULE: HEMAGGLUTININ; . SOURCE 2 ORGANISM_SCIENTIFIC: UNIDENTIFIED INFLUENZA VIRUS; . AUTHOR J.J.SKEHEL,S.J.GAMBLIN,L.F.HAIRE,R.J.RUSSELL,D.J.STEVENS,B.X . 1452 6 18 15 3 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 58097.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 944 65.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 80 5.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 300 20.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, 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 . 3 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 30 2.1 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 . 2 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 . 119 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 98 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 278 19.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 0.8 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 1 0 3 0 9 0 0 0 0 0 0 0 0 0 0 0 0 3 0 0 0 0 0 0 0 0 3 RESIDUES PER ALPHA HELIX . 12 9 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 PARALLEL BRIDGES PER LADDER . 25 20 16 9 0 6 0 0 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 11 13 3 3 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 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 5 H D 0 0 23 0, 0.0 464,-1.1 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 142.8 91.8 -31.9 72.3 2 6 H T E -AB 352 464A 20 350,-0.6 350,-3.7 462,-0.2 2,-0.4 -0.990 360.0-166.0-139.3 145.5 91.4 -29.4 69.5 3 7 H L E - B 0 463A 2 460,-2.7 460,-3.4 -2,-0.3 2,-0.3 -0.997 15.3-167.6-129.2 125.8 89.0 -28.8 66.5 4 8 H a E - B 0 462A 13 -2,-0.4 346,-1.8 458,-0.3 2,-0.5 -0.850 13.8-144.0-117.4 153.8 89.9 -26.3 63.7 5 9 H I E +E 349 0B 0 456,-2.5 344,-0.2 -2,-0.3 2,-0.2 -0.958 37.9 140.2-117.5 118.4 87.9 -24.8 60.9 6 10 H G E -E 348 0B 1 342,-2.4 342,-2.2 -2,-0.5 2,-0.3 -0.707 38.9-106.3-141.0-166.4 89.6 -24.2 57.6 7 11 H Y E -E 347 0B 0 330,-0.4 332,-3.0 340,-0.2 340,-0.3 -0.973 35.6 -91.3-137.4 148.3 89.5 -24.3 53.8 8 12 H H B +g 339 0C 19 338,-2.3 313,-0.3 -2,-0.3 2,-0.3 0.083 38.9 175.6 -49.2 157.3 90.7 -26.4 50.9 9 13 H A + 0 0 1 330,-0.8 2,-0.2 333,-0.6 311,-0.1 -0.942 2.9 164.6-163.1 147.8 94.0 -25.7 49.1 10 14 H N - 0 0 30 -2,-0.3 330,-0.1 2,-0.1 328,-0.1 -0.732 51.7 -81.5-148.5-162.1 95.9 -27.6 46.4 11 15 H N + 0 0 151 -2,-0.2 16,-0.0 329,-0.1 309,-0.0 0.262 69.1 142.8 -99.2 12.1 98.7 -27.1 43.8 12 16 H S - 0 0 23 1,-0.1 -2,-0.1 15,-0.1 16,-0.1 -0.189 34.9-166.1 -53.6 142.7 96.6 -25.3 41.2 13 17 H T + 0 0 119 14,-0.1 -1,-0.1 12,-0.1 14,-0.1 0.400 42.6 133.5-108.7 -5.5 98.5 -22.6 39.4 14 18 H D - 0 0 50 12,-0.2 12,-1.4 13,-0.1 2,-0.3 -0.092 36.4-166.3 -47.7 142.3 95.3 -21.1 37.9 15 19 H T E +H 25 0D 31 10,-0.3 2,-0.3 12,-0.0 10,-0.2 -0.987 10.3 179.8-137.2 146.2 95.1 -17.3 38.2 16 20 H V E -H 24 0D 1 8,-1.4 8,-2.8 -2,-0.3 2,-0.3 -0.931 23.1-120.3-139.9 163.4 92.3 -14.8 37.7 17 21 H D - 0 0 66 296,-0.3 2,-0.3 -2,-0.3 5,-0.2 -0.751 23.4-174.0-105.9 155.2 91.8 -11.0 37.9 18 22 H T - 0 0 1 3,-2.0 409,-0.1 -2,-0.3 408,-0.1 -0.876 41.6-100.9-138.0 168.4 89.5 -9.1 40.2 19 23 H V S S+ 0 0 7 407,-0.5 846,-0.3 -2,-0.3 847,-0.1 0.899 121.9 35.2 -58.2 -44.0 88.6 -5.5 40.5 20 24 H L S S+ 0 0 32 1,-0.2 2,-0.3 841,-0.1 841,-0.2 0.688 125.9 25.6 -86.4 -21.5 90.8 -5.0 43.5 21 25 H E - 0 0 86 840,-0.1 -3,-2.0 841,-0.0 3,-0.2 -0.989 63.5-144.6-150.9 137.9 93.7 -7.3 42.6 22 26 H K S S+ 0 0 90 -2,-0.3 -5,-0.2 -5,-0.2 -6,-0.0 -0.549 76.1 21.0 -96.3 162.6 95.3 -8.9 39.6 23 27 H N S S+ 0 0 107 -2,-0.2 2,-0.6 1,-0.2 -1,-0.2 0.930 70.9 174.9 45.2 71.3 96.8 -12.3 39.2 24 28 H V E -H 16 0D 4 -8,-2.8 -8,-1.4 -3,-0.2 2,-0.2 -0.910 25.2-138.4-110.4 109.5 95.1 -14.2 42.0 25 29 H T E -H 15 0D 50 -2,-0.6 295,-2.5 -10,-0.2 -10,-0.3 -0.478 28.5-178.3 -67.9 128.4 95.9 -17.9 42.2 26 30 H V B -I 319 0E 0 -12,-1.4 293,-0.2 293,-0.3 -12,-0.2 -0.771 35.3-119.8-124.1 169.8 92.8 -19.9 43.0 27 31 H T S S+ 0 0 5 291,-2.1 2,-0.3 -2,-0.2 -13,-0.1 0.880 93.1 13.2 -77.8 -42.9 92.0 -23.6 43.6 28 32 H H + 0 0 71 290,-0.2 289,-2.3 -16,-0.1 288,-2.1 -0.977 66.9 158.5-136.7 150.8 89.5 -24.1 40.8 29 33 H S E -J 315 0F 22 -2,-0.3 2,-0.4 286,-0.3 286,-0.2 -0.980 26.8-132.8-164.1 159.0 88.4 -22.1 37.7 30 34 H V E -J 314 0F 54 284,-2.2 284,-1.9 -2,-0.3 2,-0.4 -0.949 18.0-131.4-122.5 142.7 86.7 -22.4 34.3 31 35 H N E +J 313 0F 57 -2,-0.4 282,-0.2 282,-0.2 3,-0.0 -0.782 20.4 179.5 -91.9 133.2 87.9 -21.0 31.0 32 36 H L + 0 0 4 280,-3.4 260,-1.8 -2,-0.4 2,-0.6 0.435 58.5 84.6-110.4 -3.9 85.2 -19.2 29.0 33 37 H L E -k 292 0G 3 279,-0.8 2,-0.3 258,-0.1 260,-0.2 -0.882 62.6-155.6-110.3 109.7 87.3 -18.2 26.1 34 38 H E E +k 293 0G 29 258,-3.4 260,-1.7 -2,-0.6 261,-0.3 -0.622 22.9 162.5 -79.7 136.5 87.8 -20.7 23.2 35 39 H D + 0 0 88 -2,-0.3 2,-0.4 258,-0.2 -1,-0.1 0.153 44.0 96.5-138.9 13.4 91.0 -20.0 21.3 36 40 H S + 0 0 69 251,-0.0 251,-0.3 2,-0.0 2,-0.3 -0.899 38.2 163.0-114.5 141.0 91.5 -23.3 19.4 37 41 H H - 0 0 75 -2,-0.4 249,-0.2 249,-0.1 243,-0.0 -0.978 43.2-120.6-149.6 150.0 90.5 -24.2 15.9 38 42 H N - 0 0 69 247,-1.6 246,-0.1 -2,-0.3 248,-0.1 0.211 40.1-127.1 -79.8 15.4 91.5 -27.1 13.6 39 44 H G S S+ 0 0 28 246,-0.3 2,-0.3 1,-0.1 245,-0.2 0.647 73.1 109.5 48.5 20.6 92.8 -24.8 10.9 40 45 H K S S- 0 0 77 230,-0.1 245,-0.9 245,-0.1 2,-0.8 -0.926 72.6-120.7-129.2 151.1 90.6 -26.5 8.3 41 46 H L E -m 272 0H 0 230,-3.9 232,-1.8 -2,-0.3 2,-0.1 -0.782 43.0-175.3 -88.0 111.8 87.5 -25.7 6.2 42 47 H b E - 0 0 0 -2,-0.8 2,-0.2 230,-0.2 234,-0.2 -0.452 24.7 -97.3-104.3 176.3 85.0 -28.3 7.1 43 48 H R E -m 276 0H 48 232,-1.9 234,-1.3 230,-0.2 2,-0.4 -0.621 28.6-143.6 -93.7 155.1 81.5 -29.1 5.9 44 49 H L B > S-N 47 0I 24 3,-1.8 3,-3.5 -2,-0.2 234,-0.1 -0.925 80.2 -0.4-117.7 141.9 78.3 -28.0 7.6 45 49AH G T 3 S- 0 0 80 232,-0.5 -1,-0.2 -2,-0.4 3,-0.1 0.855 130.7 -63.9 48.7 32.7 75.1 -30.0 7.9 46 50 H G T 3 S+ 0 0 51 -3,-0.2 2,-0.5 231,-0.2 -1,-0.3 0.550 110.6 122.3 71.0 7.4 77.1 -32.6 6.1 47 51 H I B < -N 44 0I 73 -3,-3.5 -3,-1.8 29,-0.0 -1,-0.2 -0.876 61.4-122.6-109.6 135.4 77.4 -30.5 3.0 48 52 H A - 0 0 56 -2,-0.5 29,-1.9 -5,-0.2 30,-0.4 -0.233 28.3-113.0 -67.3 155.4 80.7 -29.4 1.4 49 53 H P - 0 0 16 0, 0.0 2,-0.9 0, 0.0 30,-0.2 -0.532 30.5-106.9 -86.1 161.2 81.5 -25.7 1.0 50 54 H L E -o 79 0J 6 28,-3.4 30,-2.9 -2,-0.2 2,-0.8 -0.772 30.8-158.7 -90.0 104.9 81.8 -24.2 -2.5 51 55 H Q E +o 80 0J 66 -2,-0.9 30,-0.1 1,-0.2 3,-0.1 -0.753 14.0 179.6 -86.0 111.1 85.5 -23.6 -3.2 52 56 H L E > + 0 0 0 28,-2.5 3,-2.3 -2,-0.8 2,-0.3 0.729 19.1 174.6 -80.7 -23.0 85.7 -21.0 -5.9 53 57 H G E 3 +o 81 0J 18 27,-0.5 29,-0.9 1,-0.3 -1,-0.2 -0.350 69.8 7.1 59.4-115.9 89.4 -21.1 -5.8 54 58 H K T 3 S+ 0 0 69 -2,-0.3 33,-2.7 31,-0.2 32,-1.0 0.697 126.3 73.7 -70.6 -19.8 90.9 -18.9 -8.5 55 59 H c B < -q 87 0K 0 -3,-2.3 27,-0.3 30,-0.2 2,-0.2 -0.512 65.3-153.9 -95.7 161.7 87.4 -17.7 -9.3 56 60 H N > - 0 0 27 31,-1.9 4,-2.1 -2,-0.2 5,-0.2 -0.650 45.1 -78.9-121.0-178.2 85.1 -15.3 -7.6 57 61 H I H > S+ 0 0 0 -2,-0.2 4,-2.6 1,-0.2 5,-0.3 0.903 127.8 49.6 -50.5 -47.7 81.3 -14.9 -7.6 58 62 H A H > S+ 0 0 4 1,-0.2 4,-2.7 2,-0.2 5,-0.5 0.949 111.1 46.9 -58.5 -53.8 81.3 -13.1 -11.0 59 63 H G H >>S+ 0 0 0 28,-0.4 5,-3.9 1,-0.2 4,-1.0 0.834 114.8 49.5 -58.6 -33.0 83.5 -15.6 -12.8 60 64 H W H <5S+ 0 0 13 -4,-2.1 -2,-0.2 3,-0.2 -1,-0.2 0.982 115.9 37.6 -70.6 -59.2 81.4 -18.5 -11.4 61 65 H L H <5S+ 0 0 0 -4,-2.6 -2,-0.2 1,-0.2 -3,-0.2 0.928 121.4 44.7 -61.0 -47.4 77.9 -17.2 -12.2 62 66 H L H <5S- 0 0 0 -4,-2.7 85,-1.7 -5,-0.3 86,-0.3 0.845 115.3-120.8 -65.6 -31.5 78.9 -15.8 -15.6 63 67 H G T <5 - 0 0 3 -4,-1.0 83,-2.9 -5,-0.5 -3,-0.2 0.907 27.7-154.4 90.7 49.9 80.9 -18.9 -16.2 64 68 H N > < - 0 0 8 -5,-3.9 3,-2.3 81,-0.2 81,-0.1 -0.298 24.6-118.1 -54.9 137.4 84.4 -17.6 -16.7 65 69 H P G > S+ 0 0 2 0, 0.0 3,-0.7 0, 0.0 -1,-0.1 0.735 113.7 58.1 -51.5 -27.0 86.4 -20.1 -18.9 66 70 H E G 3 S+ 0 0 106 1,-0.2 -12,-0.1 22,-0.1 3,-0.1 0.219 96.7 63.7 -90.2 14.4 88.8 -20.7 -16.0 67 71 H c G X> + 0 0 3 -3,-2.3 3,-2.6 -8,-0.2 4,-0.6 0.163 55.7 123.8-123.4 18.0 86.0 -21.8 -13.7 68 72 H D G X4 + 0 0 43 -3,-0.7 3,-0.6 1,-0.3 4,-0.4 0.723 63.8 73.9 -52.4 -22.2 84.9 -25.0 -15.4 69 73 H L G 34 S+ 0 0 139 1,-0.2 3,-0.4 -3,-0.1 -1,-0.3 0.842 96.1 50.5 -61.0 -29.9 85.6 -26.8 -12.2 70 74 H L G X4 S+ 0 0 9 -3,-2.6 3,-1.6 1,-0.2 -1,-0.2 0.700 81.6 94.8 -81.7 -21.4 82.5 -25.2 -10.7 71 75 H L T << S+ 0 0 63 -3,-0.6 -1,-0.2 -4,-0.6 -2,-0.1 0.752 86.9 45.0 -40.3 -41.7 80.1 -26.1 -13.5 72 76 H T T 3 S+ 0 0 126 -3,-0.4 -1,-0.3 -4,-0.4 2,-0.2 0.703 89.9 101.9 -82.2 -19.9 78.8 -29.3 -11.9 73 77 H V < + 0 0 42 -3,-1.6 3,-0.1 -4,-0.2 37,-0.0 -0.457 28.4 151.6 -72.0 132.5 78.3 -27.9 -8.4 74 78 H S + 0 0 57 1,-0.2 37,-2.1 -2,-0.2 2,-0.3 0.292 59.1 51.7-140.4 7.6 74.7 -27.0 -7.4 75 79 H S B +R 110 0L 57 35,-0.2 2,-0.3 -26,-0.0 -1,-0.2 -0.996 57.4 154.3-148.9 140.8 74.6 -27.4 -3.6 76 80 H W - 0 0 4 33,-2.0 3,-0.1 -2,-0.3 -28,-0.1 -0.986 42.6-136.8-164.8 156.4 76.9 -26.1 -0.8 77 81 H S S S- 0 0 18 -29,-1.9 2,-0.3 1,-0.3 187,-0.3 0.707 90.4 -16.2 -89.5 -24.5 77.0 -25.1 2.9 78 82 H Y - 0 0 0 -30,-0.4 -28,-3.4 185,-0.1 2,-0.4 -0.955 68.5-108.2-171.3 160.9 78.9 -21.9 2.3 79 83 H I E -op 50 265J 0 185,-3.0 187,-2.8 -2,-0.3 2,-0.5 -0.872 26.5-160.7-106.5 135.0 81.0 -20.1 -0.4 80 84 H V E -op 51 266J 0 -30,-2.9 -28,-2.5 -2,-0.4 -27,-0.5 -0.951 7.8-175.0-120.2 128.0 84.7 -19.7 -0.1 81 85 H E E -op 53 267J 13 185,-2.8 187,-2.5 -2,-0.5 2,-0.1 -0.905 15.6-150.6-113.9 143.8 86.9 -17.2 -2.0 82 86 H T > - 0 0 25 -29,-0.9 3,-0.9 -2,-0.4 187,-0.2 -0.280 35.9 -93.2-101.7-169.2 90.7 -17.2 -1.7 83 87 H S T 3 S+ 0 0 72 1,-0.2 186,-0.1 -2,-0.1 -29,-0.1 0.563 127.4 51.1 -81.0 -8.8 93.3 -14.5 -2.0 84 88 H N T 3 + 0 0 110 -31,-0.2 2,-1.9 -29,-0.1 3,-0.3 -0.025 66.8 125.1-118.3 29.4 93.6 -15.6 -5.6 85 89 H S < + 0 0 14 -3,-0.9 -30,-0.2 1,-0.2 -31,-0.2 -0.540 29.3 129.7 -85.9 71.4 89.9 -15.4 -6.6 86 90 H D + 0 0 120 -2,-1.9 2,-1.1 -32,-1.0 -31,-0.2 0.443 33.3 103.0-105.1 -4.6 90.8 -13.0 -9.4 87 91 H N B +q 55 0K 43 -33,-2.7 -31,-1.9 -3,-0.3 -28,-0.4 -0.734 48.2 108.4 -84.4 101.4 88.9 -14.9 -12.2 88 92 H G S S+ 0 0 7 -2,-1.1 2,-1.3 -33,-0.2 3,-0.1 0.151 74.3 11.8-133.4-107.2 85.8 -12.9 -12.7 89 93 H T - 0 0 49 1,-0.2 4,-0.1 4,-0.1 -30,-0.1 -0.667 57.4-179.0 -86.9 92.7 84.8 -10.7 -15.7 90 94 H d S S+ 0 0 7 -2,-1.3 -1,-0.2 1,-0.1 3,-0.0 0.853 71.4 64.5 -59.9 -35.6 87.5 -11.5 -18.3 91 95 H Y S S- 0 0 7 -3,-0.1 136,-0.1 1,-0.1 130,-0.1 -0.828 101.6-110.1 -93.6 120.3 86.0 -9.0 -20.7 92 96 H P + 0 0 9 0, 0.0 135,-2.4 0, 0.0 2,-0.3 -0.022 67.4 94.7 -47.5 144.9 86.3 -5.5 -19.3 93 97 H G S S- 0 0 31 133,-0.3 2,-0.4 597,-0.2 135,-0.2 -0.960 71.2 -65.1 158.1-171.8 83.2 -3.7 -18.2 94 98 H D - 0 0 90 -2,-0.3 135,-2.4 599,-0.0 2,-1.0 -0.918 27.8-145.7-115.5 133.7 81.0 -3.0 -15.2 95 99 H F B > -s 229 0L 18 -2,-0.4 3,-1.3 133,-0.2 4,-0.2 -0.837 30.3-134.9 -97.0 98.3 79.0 -5.6 -13.2 96 100 H I T 3 S- 0 0 27 133,-1.9 135,-0.1 -2,-1.0 5,-0.1 -0.305 79.1 -6.3 -59.4 130.3 75.9 -3.7 -12.2 97 101 H D T 3> S+ 0 0 61 1,-0.1 4,-1.8 3,-0.1 -1,-0.3 0.888 83.7 157.9 49.0 45.6 74.9 -4.1 -8.6 98 102 H Y H <> + 0 0 29 -3,-1.3 4,-2.0 2,-0.2 5,-0.2 0.907 67.8 50.9 -63.0 -46.8 77.5 -6.8 -8.2 99 103 H E H > S+ 0 0 20 1,-0.2 4,-1.9 2,-0.2 295,-0.2 0.833 108.8 53.3 -62.5 -34.3 77.7 -6.5 -4.4 100 104 H E H > S+ 0 0 1 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