==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=11-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER VIRAL PROTEIN 12-DEC-03 1RV0 . COMPND 2 MOLECULE: HEMAGGLUTININ; . SOURCE 2 ORGANISM_SCIENTIFIC: INFLUENZA A VIRUS; . AUTHOR J.J.SKEHEL,S.J.GAMBLIN,L.F.HAIRE,R.J.RUSSELL,D.J.STEVENS, . 1452 6 18 15 3 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 58398.0 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 . 78 5.4 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 . 3 0.2 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 . 127 8.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 94 6.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 277 19.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 13 0.9 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 1 8 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 10 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 PARALLEL BRIDGES PER LADDER . 26 19 15 10 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 4 2 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 25 0, 0.0 464,-1.3 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 162.6 91.6 -31.8 72.2 2 6 H T E -AB 352 464A 19 350,-1.6 350,-3.0 462,-0.2 2,-0.4 -0.995 360.0-167.1-143.2 144.6 91.0 -29.4 69.3 3 7 H L E - B 0 463A 1 460,-2.6 460,-3.1 -2,-0.3 2,-0.3 -0.991 15.9-168.1-129.6 122.8 88.7 -28.7 66.4 4 8 H a E - B 0 462A 14 -2,-0.4 346,-1.6 458,-0.3 2,-0.5 -0.809 14.6-144.5-113.7 154.6 89.5 -26.3 63.6 5 9 H I E +E 349 0B 2 456,-3.6 344,-0.2 -2,-0.3 2,-0.2 -0.969 37.4 145.3-117.4 120.3 87.5 -24.8 60.8 6 10 H G E -E 348 0B 1 342,-3.1 342,-2.2 -2,-0.5 2,-0.3 -0.762 37.1-109.3-141.4-171.6 89.3 -24.2 57.5 7 11 H Y E -E 347 0B 0 330,-0.4 332,-2.9 340,-0.2 340,-0.2 -0.970 34.7 -92.1-134.9 146.5 89.1 -24.2 53.7 8 12 H H B +g 339 0C 18 338,-2.4 313,-0.4 -2,-0.3 2,-0.3 0.185 37.2 175.7 -46.5 160.6 90.4 -26.2 50.8 9 13 H A + 0 0 2 330,-0.7 2,-0.2 333,-0.6 311,-0.1 -0.952 2.5 165.2-164.6 154.4 93.6 -25.7 48.8 10 14 H N - 0 0 31 -2,-0.3 330,-0.1 2,-0.1 328,-0.1 -0.845 52.7 -76.0-156.5-167.8 95.4 -27.5 46.0 11 15 H N S S+ 0 0 159 -2,-0.2 2,-0.1 329,-0.1 16,-0.0 0.041 72.5 143.6 -93.3 26.4 98.2 -27.2 43.4 12 16 H S - 0 0 21 1,-0.1 -2,-0.1 13,-0.0 16,-0.1 -0.391 32.6-174.3 -69.7 141.4 96.1 -25.0 41.1 13 17 H T + 0 0 121 -2,-0.1 -1,-0.1 14,-0.1 14,-0.1 0.337 39.4 133.4-114.4 0.5 97.9 -22.2 39.1 14 18 H D - 0 0 55 12,-0.3 12,-1.8 13,-0.1 2,-0.4 -0.187 36.8-164.8 -53.2 140.4 94.7 -20.8 37.7 15 19 H T E +H 25 0D 31 10,-0.2 2,-0.3 12,-0.0 10,-0.2 -0.986 13.3 173.5-134.7 145.6 94.4 -17.0 37.9 16 20 H V E -H 24 0D 1 8,-1.9 8,-1.2 -2,-0.4 2,-0.2 -0.941 22.4-127.3-142.2 160.7 91.5 -14.6 37.5 17 21 H D - 0 0 62 -2,-0.3 2,-0.3 296,-0.3 5,-0.2 -0.703 18.1-172.3-111.6 165.3 91.2 -10.8 38.0 18 22 H T - 0 0 3 3,-2.5 409,-0.1 -2,-0.2 408,-0.1 -0.872 43.6 -95.8-143.1 173.3 88.7 -8.8 39.9 19 23 H V S S+ 0 0 6 407,-0.6 846,-0.3 -2,-0.3 845,-0.1 0.900 123.8 34.0 -61.2 -41.6 88.0 -5.1 40.3 20 24 H L S S+ 0 0 29 1,-0.2 2,-0.3 841,-0.1 841,-0.2 0.852 125.8 24.1 -83.1 -41.4 90.2 -4.8 43.4 21 25 H E - 0 0 83 840,-0.1 -3,-2.5 841,-0.0 2,-0.3 -0.935 63.1-151.1-131.8 153.8 92.9 -7.3 42.7 22 26 H K S S+ 0 0 85 -2,-0.3 -5,-0.2 -5,-0.2 3,-0.1 -0.844 72.8 23.0-121.9 158.0 94.6 -9.0 39.7 23 27 H N S S+ 0 0 109 -2,-0.3 2,-0.3 1,-0.2 -6,-0.2 0.661 74.0 173.5 65.2 17.6 96.3 -12.3 39.1 24 28 H V E -H 16 0D 2 -8,-1.2 -8,-1.9 -3,-0.2 2,-0.3 -0.412 27.7-135.9 -61.9 117.1 94.4 -13.8 42.0 25 29 H T E -H 15 0D 48 -2,-0.3 295,-2.1 -10,-0.2 -10,-0.2 -0.592 27.9-174.0 -76.1 132.6 95.2 -17.6 42.1 26 30 H V B -I 319 0E 0 -12,-1.8 -12,-0.3 -2,-0.3 293,-0.2 -0.741 30.9-127.0-123.1 170.1 92.1 -19.7 42.7 27 31 H T S S+ 0 0 5 291,-1.9 2,-0.3 1,-0.3 -13,-0.1 0.837 90.4 18.7 -87.7 -37.6 91.5 -23.4 43.2 28 32 H H + 0 0 70 290,-0.2 288,-2.5 -16,-0.1 289,-2.0 -0.986 67.8 154.0-136.2 147.2 88.8 -24.0 40.5 29 33 H S E -J 315 0F 21 -2,-0.3 2,-0.4 286,-0.3 286,-0.2 -0.984 29.0-134.8-165.4 158.4 87.8 -22.1 37.4 30 34 H V E -J 314 0F 54 284,-2.2 284,-2.5 -2,-0.3 2,-0.4 -0.967 18.6-133.6-123.6 138.4 86.2 -22.4 34.0 31 35 H N E -J 313 0F 57 -2,-0.4 282,-0.2 282,-0.2 3,-0.0 -0.761 19.4-179.0 -89.3 133.7 87.4 -20.9 30.8 32 36 H L + 0 0 6 280,-2.7 260,-1.7 -2,-0.4 2,-0.7 0.335 56.8 90.1-112.7 3.5 84.7 -19.3 28.8 33 37 H L E -k 292 0G 5 279,-0.3 260,-0.2 258,-0.1 2,-0.2 -0.854 61.5-156.5-111.8 101.8 86.8 -18.2 25.9 34 38 H E E +k 293 0G 25 258,-3.4 260,-1.5 -2,-0.7 261,-0.2 -0.516 23.9 160.8 -72.5 135.6 87.2 -20.6 22.9 35 39 H D + 0 0 97 -2,-0.2 2,-0.4 258,-0.2 -1,-0.1 0.230 42.1 96.7-140.4 10.6 90.4 -19.9 21.0 36 40 H S + 0 0 70 251,-0.0 251,-0.3 2,-0.0 2,-0.3 -0.875 37.3 162.5-112.8 140.1 90.9 -23.2 19.1 37 41 H H - 0 0 76 -2,-0.4 249,-0.2 249,-0.1 243,-0.0 -0.979 43.1-122.8-147.6 152.4 89.9 -24.2 15.6 38 42 H N - 0 0 68 247,-1.3 246,-0.1 -2,-0.3 248,-0.1 0.335 42.1-126.1 -80.6 7.9 91.0 -27.0 13.3 39 44 H G S S+ 0 0 24 246,-0.3 2,-0.3 1,-0.2 245,-0.3 0.762 71.0 114.9 54.1 29.6 92.1 -24.5 10.6 40 45 H K S S- 0 0 56 230,-0.1 2,-0.9 245,-0.1 245,-0.6 -0.970 70.9-121.7-134.6 147.1 90.0 -26.3 7.9 41 46 H L E -m 272 0H 0 230,-3.1 232,-1.9 -2,-0.3 234,-0.3 -0.751 44.5-178.2 -85.0 108.0 86.9 -25.4 5.8 42 47 H b E - 0 0 0 -2,-0.9 2,-0.4 230,-0.2 234,-0.2 -0.418 26.4 -99.0-101.6 178.7 84.4 -28.1 6.8 43 48 H R E -m 276 0H 58 232,-1.6 234,-1.8 -2,-0.1 3,-0.3 -0.800 26.9-147.5-103.7 143.0 80.9 -28.9 5.7 44 49 H L B > S+N 47 0I 21 3,-1.0 3,-3.4 -2,-0.4 234,-0.1 -0.742 81.0 7.6-103.2 153.5 77.8 -27.8 7.5 45 49AH G T 3 S- 0 0 80 232,-0.4 -1,-0.2 1,-0.3 3,-0.1 0.732 129.1 -69.0 48.5 23.4 74.6 -29.9 7.5 46 50 H G T 3 S+ 0 0 54 -3,-0.3 2,-0.4 231,-0.3 -1,-0.3 0.533 109.0 121.2 75.7 4.7 76.6 -32.5 5.8 47 51 H I B < -N 44 0I 78 -3,-3.4 -3,-1.0 1,-0.0 -1,-0.2 -0.873 62.8-120.0-107.5 135.2 76.8 -30.4 2.7 48 52 H A - 0 0 56 -2,-0.4 29,-1.5 -5,-0.2 30,-0.4 -0.236 27.1-112.3 -68.2 153.7 80.1 -29.3 1.1 49 53 H P - 0 0 16 0, 0.0 2,-0.8 0, 0.0 30,-0.2 -0.499 30.2-110.5 -83.1 158.0 81.1 -25.7 0.7 50 54 H L E -o 79 0J 6 28,-3.1 30,-2.9 -2,-0.1 2,-0.7 -0.809 29.2-156.2 -92.4 111.4 81.3 -24.2 -2.8 51 55 H Q E -o 80 0J 59 -2,-0.8 30,-0.1 28,-0.2 3,-0.1 -0.795 14.8-178.5 -90.0 115.9 85.0 -23.4 -3.5 52 56 H L > + 0 0 3 28,-2.4 3,-2.7 -2,-0.7 2,-0.2 0.667 18.4 178.2 -84.1 -18.5 85.3 -20.7 -6.2 53 57 H G T 3 S- 0 0 24 27,-0.5 29,-0.9 1,-0.3 31,-0.3 -0.326 72.1 -0.1 55.7-115.4 89.0 -21.0 -6.1 54 58 H K T 3 S+ 0 0 85 -2,-0.2 33,-2.9 31,-0.2 32,-0.9 0.429 126.5 75.9 -85.6 2.0 90.4 -18.5 -8.7 55 59 H c B < -q 87 0K 0 -3,-2.7 27,-0.3 30,-0.2 2,-0.2 -0.690 65.0-152.7-108.6 162.7 86.9 -17.4 -9.7 56 60 H N > - 0 0 22 31,-1.5 4,-2.5 -2,-0.2 5,-0.2 -0.697 43.6 -80.4-123.4 179.6 84.4 -15.1 -7.9 57 61 H I H > S+ 0 0 0 -2,-0.2 4,-2.7 1,-0.2 5,-0.3 0.873 128.0 52.2 -50.0 -41.5 80.6 -14.9 -7.9 58 62 H A H > S+ 0 0 5 1,-0.2 4,-2.5 2,-0.2 5,-0.4 0.957 111.1 44.2 -60.9 -53.4 80.6 -13.0 -11.2 59 63 H G H >>S+ 0 0 0 28,-0.4 5,-3.4 1,-0.2 4,-1.5 0.877 115.9 50.2 -59.8 -38.3 82.8 -15.5 -13.1 60 64 H W H <5S+ 0 0 13 -4,-2.5 -2,-0.2 3,-0.2 -1,-0.2 0.974 114.7 39.0 -65.5 -58.5 80.8 -18.4 -11.7 61 65 H L H <5S+ 0 0 0 -4,-2.7 -2,-0.2 1,-0.2 -3,-0.2 0.906 121.9 43.0 -62.2 -43.7 77.3 -17.2 -12.5 62 66 H L H <5S- 0 0 0 -4,-2.5 85,-1.9 -5,-0.3 86,-0.3 0.803 114.5-118.9 -72.3 -28.2 78.2 -15.7 -15.9 63 67 H G T <5 - 0 0 3 -4,-1.5 83,-2.3 -5,-0.4 -3,-0.2 0.913 27.8-154.5 90.3 51.6 80.3 -18.8 -16.7 64 68 H N > < - 0 0 10 -5,-3.4 3,-3.4 81,-0.2 4,-0.1 -0.365 26.7-116.7 -59.0 131.3 83.8 -17.4 -17.1 65 69 H P T 3 S+ 0 0 2 0, 0.0 3,-0.4 0, 0.0 -1,-0.2 0.615 115.1 57.7 -45.7 -15.6 85.8 -19.9 -19.4 66 70 H E T 3 S+ 0 0 88 1,-0.2 3,-0.2 22,-0.1 -12,-0.2 0.337 96.0 62.2-100.7 8.1 88.1 -20.4 -16.4 67 71 H c X> + 0 0 4 -3,-3.4 3,-1.9 -8,-0.2 4,-0.6 0.133 57.3 124.9-118.7 20.3 85.4 -21.6 -14.0 68 72 H D G >4 + 0 0 46 -3,-0.4 3,-0.7 1,-0.3 4,-0.3 0.752 65.2 69.9 -52.3 -25.7 84.3 -24.7 -15.8 69 73 H L G >4 S+ 0 0 138 1,-0.2 3,-0.7 -3,-0.2 -1,-0.3 0.880 96.6 51.8 -60.7 -36.4 84.9 -26.8 -12.7 70 74 H L G X4 S+ 0 0 14 -3,-1.9 3,-2.2 1,-0.2 -1,-0.2 0.706 83.1 94.7 -72.6 -22.2 82.0 -25.1 -11.0 71 75 H L G << S+ 0 0 60 -3,-0.7 -1,-0.2 -4,-0.6 -2,-0.1 0.726 85.6 45.4 -41.2 -37.1 79.6 -25.9 -13.9 72 76 H T G < S+ 0 0 128 -3,-0.7 2,-0.3 -4,-0.3 -1,-0.3 0.604 87.9 105.6 -89.0 -11.2 78.3 -29.1 -12.3 73 77 H V < + 0 0 44 -3,-2.2 3,-0.1 -4,-0.2 -23,-0.0 -0.548 29.8 157.7 -74.8 128.7 77.8 -27.8 -8.8 74 78 H S + 0 0 62 -2,-0.3 37,-1.9 1,-0.2 2,-0.3 0.352 59.9 40.0-130.3 1.5 74.2 -27.1 -7.8 75 79 H S B +R 110 0L 58 35,-0.2 2,-0.3 -26,-0.0 35,-0.2 -0.993 57.1 161.6-152.1 146.6 74.1 -27.1 -4.0 76 80 H W - 0 0 3 33,-2.4 3,-0.1 -2,-0.3 -28,-0.1 -0.981 39.6-135.1-159.0 164.6 76.4 -25.8 -1.2 77 81 H S S S- 0 0 17 -29,-1.5 2,-0.3 1,-0.4 187,-0.2 0.574 90.7 -18.3 -99.7 -16.8 76.5 -25.0 2.5 78 82 H Y - 0 0 0 -30,-0.4 -28,-3.1 185,-0.2 -1,-0.4 -0.905 69.5-106.2-179.7 159.0 78.3 -21.7 1.9 79 83 H I E -op 50 265J 1 185,-2.7 187,-2.5 -2,-0.3 2,-0.5 -0.847 27.3-159.6-104.9 136.3 80.4 -20.0 -0.7 80 84 H V E -op 51 266J 0 -30,-2.9 -28,-2.4 -2,-0.4 -27,-0.5 -0.951 7.5-173.5-121.6 125.7 84.2 -19.5 -0.4 81 85 H E E - p 0 267J 16 185,-3.1 187,-2.0 -2,-0.5 2,-0.1 -0.925 14.4-148.8-113.0 137.7 86.3 -17.0 -2.3 82 86 H T > - 0 0 19 -29,-0.9 3,-1.6 -2,-0.4 187,-0.2 -0.425 36.5 -99.0 -94.8 175.7 90.1 -17.2 -2.0 83 87 H S T 3 S+ 0 0 74 1,-0.3 186,-0.1 -2,-0.1 -29,-0.1 0.337 125.9 57.7 -77.7 11.8 92.4 -14.2 -2.1 84 88 H N T 3 + 0 0 98 -31,-0.3 2,-2.4 -29,-0.1 3,-0.4 0.126 63.8 123.6-124.4 15.9 92.9 -15.3 -5.8 85 89 H S < + 0 0 13 -3,-1.6 -30,-0.2 1,-0.2 -31,-0.2 -0.519 29.5 132.2 -78.4 74.1 89.3 -15.2 -6.9 86 90 H D + 0 0 120 -2,-2.4 2,-1.1 -32,-0.9 -1,-0.2 0.595 33.8 98.6-101.7 -16.5 90.2 -12.8 -9.7 87 91 H N B +q 55 0K 42 -33,-2.9 -31,-1.5 -3,-0.4 -28,-0.4 -0.640 48.0 113.4 -80.1 97.8 88.3 -14.5 -12.6 88 92 H G S S+ 0 0 6 -2,-1.1 2,-0.8 1,-0.2 -22,-0.1 0.229 73.7 9.3-125.4-109.4 85.1 -12.7 -13.1 89 93 H T - 0 0 46 1,-0.2 -1,-0.2 4,-0.1 4,-0.1 -0.709 57.3-177.5 -83.0 111.4 84.1 -10.6 -16.1 90 94 H d S S+ 0 0 5 -2,-0.8 -1,-0.2 1,-0.1 -31,-0.0 0.835 71.9 66.1 -79.0 -33.0 86.8 -11.2 -18.7 91 95 H Y S S- 0 0 7 1,-0.1 136,-0.2 45,-0.1 -1,-0.1 -0.821 103.3-109.2 -91.0 118.0 85.2 -8.8 -21.2 92 96 H P + 0 0 8 0, 0.0 135,-1.6 0, 0.0 2,-0.3 0.010 66.5 97.0 -45.0 142.7 85.6 -5.3 -19.6 93 97 H G - 0 0 30 133,-0.2 2,-0.4 597,-0.2 135,-0.2 -0.919 69.7 -63.8 157.9 177.6 82.5 -3.6 -18.3 94 98 H D - 0 0 83 -2,-0.3 135,-2.7 599,-0.0 2,-1.0 -0.792 29.7-151.4 -97.9 131.5 80.2 -2.7 -15.4 95 99 H F B > -s 229 0L 22 -2,-0.4 3,-1.2 133,-0.2 135,-0.2 -0.848 29.9-133.9-101.9 96.6 78.3 -5.5 -13.6 96 100 H I T 3 S- 0 0 31 133,-1.8 5,-0.1 -2,-1.0 135,-0.1 -0.232 76.8 -5.6 -57.7 133.4 75.3 -3.6 -12.4 97 101 H D T 3> S+ 0 0 62 1,-0.1 4,-1.8 3,-0.1 -1,-0.3 0.872 82.5 157.1 48.8 44.4 74.2 -4.1 -8.8 98 102 H Y H <> + 0 0 29 -3,-1.2 4,-2.1 1,-0.2 5,-0.2 0.906 67.3 52.0 -64.0 -45.0 76.8 -6.7 -8.4 99 103 H E H > S+ 0 0 20 1,-0.2 4,-2.0 2,-0.2 295,-0.3 0.832 109.1 52.1 -63.8 -31.3 77.1 -6.4 -4.6 100 104 H E H > S+ 0 0 1 2,-0.2 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