==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=23-NOV-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER VIRAL PROTEIN 01-SEP-09 2WRH . COMPND 2 MOLECULE: HEMAGGLUTININ HA1 CHAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: INFLUENZA A VIRUS . AUTHOR J.LIU,D.J.STEVENS,L.F.HAIRE,P.A.WALKER,P.J.COOMBS, . 1446 6 16 13 3 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 56511.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 919 63.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 76 5.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 289 20.0 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 . 27 1.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 6 0.4 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 . 147 10.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 63 4.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 279 19.3 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 3 0 3 3 3 3 0 0 0 0 0 0 0 0 0 0 3 0 0 0 0 0 0 0 0 0 3 RESIDUES PER ALPHA HELIX . 11 13 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 0 PARALLEL BRIDGES PER LADDER . 23 13 18 6 3 3 3 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 . 12 8 7 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 41 0, 0.0 462,-2.7 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 148.6 -21.6 -49.9 46.2 2 6 H T E -AB 350 462A 34 348,-1.0 348,-1.1 460,-0.2 2,-0.4 -0.980 360.0-161.4-153.6 127.8 -20.5 -46.7 44.5 3 7 H I E - B 0 461A 0 458,-0.8 458,-1.6 -2,-0.3 2,-0.3 -0.893 24.2-156.9-101.6 139.1 -19.4 -45.4 41.0 4 8 H a E - B 0 460A 9 -2,-0.4 344,-1.4 456,-0.2 2,-0.4 -0.894 10.9-140.9-118.6 151.1 -17.5 -42.1 41.0 5 9 H V E +E 347 0B 0 454,-1.8 2,-0.3 -2,-0.3 342,-0.3 -0.885 40.0 137.2-104.3 140.6 -16.9 -39.4 38.4 6 10 H G E -E 346 0B 0 340,-3.0 340,-3.0 -2,-0.4 2,-0.3 -0.968 37.2-110.2-167.8-179.8 -13.5 -37.7 38.3 7 11 H Y E -E 345 0B 0 328,-0.4 330,-3.3 -2,-0.3 338,-0.3 -0.841 34.0 -84.4-133.0 165.6 -10.6 -36.4 36.2 8 12 H H B +g 337 0C 20 336,-2.8 311,-0.4 -2,-0.3 2,-0.3 -0.182 36.8 175.4 -66.1 149.2 -7.0 -37.0 35.3 9 13 H A + 0 0 2 328,-1.1 2,-0.3 331,-0.3 309,-0.1 -0.965 5.1 167.5-145.3 158.2 -4.0 -35.9 37.3 10 14 H N - 0 0 33 -2,-0.3 328,-0.1 2,-0.1 329,-0.1 -0.872 51.5 -83.2-154.5-171.4 -0.2 -36.6 36.8 11 15 H N S S+ 0 0 157 -2,-0.3 16,-0.0 327,-0.1 307,-0.0 0.229 74.8 139.2 -87.5 15.4 3.3 -35.6 37.9 12 16 H S - 0 0 22 1,-0.1 -2,-0.1 15,-0.1 16,-0.1 -0.289 34.0-176.1 -62.5 140.4 3.3 -32.7 35.5 13 17 H T + 0 0 121 14,-0.1 -1,-0.1 12,-0.1 14,-0.1 0.166 35.9 137.9-121.2 11.6 4.8 -29.4 36.7 14 18 H D - 0 0 60 12,-0.4 12,-2.0 13,-0.1 2,-0.4 -0.345 37.7-159.9 -54.6 137.5 3.9 -27.5 33.6 15 19 H T E +H 25 0D 30 10,-0.2 2,-0.3 12,-0.0 10,-0.2 -0.986 13.0 178.5-133.7 129.2 2.7 -24.1 34.6 16 20 H V E -H 24 0D 0 8,-2.5 8,-2.7 -2,-0.4 2,-0.4 -0.864 24.4-122.3-126.5 162.4 0.5 -21.6 32.7 17 21 H D - 0 0 36 294,-0.5 5,-0.2 -2,-0.3 2,-0.2 -0.867 24.8-171.6-104.5 137.3 -1.0 -18.1 33.3 18 22 H T - 0 0 1 3,-2.8 407,-0.2 -2,-0.4 406,-0.2 -0.620 38.9-104.0-113.0 179.9 -4.8 -17.4 33.0 19 23 H V S S+ 0 0 4 405,-0.9 842,-0.2 -2,-0.2 406,-0.1 0.834 120.3 33.0 -75.5 -29.7 -6.7 -14.1 33.2 20 24 H L S S+ 0 0 33 404,-0.2 2,-0.3 1,-0.2 837,-0.3 0.726 125.4 30.4 -94.3 -23.5 -7.8 -14.7 36.8 21 25 H E - 0 0 87 836,-0.1 -3,-2.8 837,-0.0 3,-0.3 -0.991 64.8-142.9-144.1 141.4 -4.9 -16.6 38.2 22 26 H K S S+ 0 0 109 -2,-0.3 -5,-0.1 -5,-0.2 -6,-0.1 -0.573 76.6 18.1 -99.5 166.2 -1.1 -16.9 37.7 23 27 H N S S+ 0 0 112 -2,-0.2 2,-0.6 1,-0.2 -1,-0.2 0.835 74.6 176.2 43.8 52.2 1.2 -19.9 37.9 24 28 H V E -H 16 0D 5 -8,-2.7 -8,-2.5 -3,-0.3 2,-0.3 -0.766 26.1-134.5 -89.4 119.8 -1.5 -22.5 37.5 25 29 H T E -H 15 0D 56 -2,-0.6 293,-2.4 -10,-0.2 2,-0.3 -0.564 29.8-177.3 -75.1 130.8 -0.2 -26.1 37.2 26 30 H V B -I 317 0E 0 -12,-2.0 -12,-0.4 -2,-0.3 291,-0.2 -0.841 34.5-125.0-127.2 163.7 -1.8 -28.1 34.4 27 31 H T S S+ 0 0 3 289,-2.2 2,-0.3 -2,-0.3 290,-0.1 0.718 91.9 14.1 -80.5 -24.1 -1.6 -31.7 33.1 28 32 H H + 0 0 72 288,-0.3 287,-2.5 -16,-0.1 286,-2.3 -0.991 66.5 160.0-153.0 142.3 -0.7 -30.8 29.5 29 33 H S E -J 313 0F 21 -2,-0.3 2,-0.3 284,-0.3 284,-0.2 -0.979 23.4-140.5-155.3 166.4 0.5 -27.8 27.6 30 34 H V E -J 312 0F 47 282,-2.3 282,-2.6 -2,-0.3 2,-0.4 -0.971 23.9-120.9-127.8 149.9 2.2 -26.5 24.4 31 35 H N E -J 311 0F 56 -2,-0.3 280,-0.2 280,-0.2 3,-0.0 -0.748 22.6-179.1 -86.8 134.0 4.7 -23.7 23.9 32 36 H L + 0 0 1 278,-1.5 258,-1.4 -2,-0.4 2,-0.6 0.487 61.7 80.4-104.6 -8.5 3.6 -21.0 21.5 33 37 H L E -k 290 0G 2 277,-0.2 2,-0.6 256,-0.1 258,-0.2 -0.897 66.4-149.6-111.1 116.9 6.8 -19.0 21.7 34 38 H E E +k 291 0G 34 256,-3.1 258,-1.6 -2,-0.6 259,-0.4 -0.738 27.8 164.5 -76.9 119.0 9.9 -19.8 19.9 35 39 H D + 0 0 93 -2,-0.6 2,-0.3 256,-0.2 -1,-0.1 0.244 48.5 61.5-126.8 12.3 12.7 -18.6 22.2 36 40 H S - 0 0 66 249,-0.0 249,-0.3 246,-0.0 2,-0.2 -0.952 61.0-152.5-138.4 160.3 15.8 -20.2 20.8 37 41 H H - 0 0 82 -2,-0.3 247,-0.2 247,-0.1 245,-0.0 -0.716 29.1-103.1-131.5 179.7 17.8 -20.2 17.6 38 42 H N - 0 0 61 245,-1.4 244,-0.2 2,-0.2 3,-0.1 0.733 35.3-136.6 -74.9 -30.1 20.2 -22.2 15.4 39 44 H G S S+ 0 0 32 1,-0.3 2,-0.3 242,-0.1 243,-0.2 0.309 77.9 90.8 81.2 -7.3 23.5 -20.6 16.3 40 45 H K S S- 0 0 74 243,-0.1 243,-0.8 228,-0.1 2,-0.5 -0.848 76.5-128.1-124.8 153.8 24.0 -20.7 12.5 41 46 H L E +m 270 0H 1 228,-2.6 230,-2.5 -2,-0.3 232,-0.1 -0.897 44.4 179.3 -96.0 125.0 23.4 -18.7 9.3 42 47 H b E - 0 0 0 -2,-0.5 232,-0.2 228,-0.2 2,-0.2 -0.232 25.6 -86.1-115.9-164.2 21.6 -20.9 6.8 43 48 H S E -m 274 0H 13 230,-1.5 232,-1.5 4,-0.1 4,-0.2 -0.551 14.0-144.0 -99.7 168.5 20.1 -21.1 3.3 44 49 H L S S- 0 0 39 2,-2.9 3,-0.1 -2,-0.2 230,-0.1 -0.021 85.5 -61.7-113.0 30.6 16.6 -20.1 2.1 45 50 H G S S+ 0 0 56 1,-0.3 2,-0.3 0, 0.0 -2,-0.1 -0.426 140.5 55.8 106.6 -44.6 16.5 -23.0 -0.3 46 51 H I S S- 0 0 62 -4,-0.0 -2,-2.9 1,-0.0 -1,-0.3 -0.767 96.6-104.9-115.2 158.6 19.5 -21.2 -1.8 47 52 H A - 0 0 51 -2,-0.3 29,-1.2 27,-0.2 30,-0.3 -0.488 31.0-109.7 -90.2 158.1 22.8 -20.1 0.0 48 53 H P - 0 0 13 0, 0.0 2,-0.5 0, 0.0 30,-0.2 -0.472 27.1-114.3 -82.6 153.7 23.8 -16.6 1.2 49 54 H L E -n 78 0I 8 28,-2.5 30,-2.9 56,-0.2 2,-0.5 -0.783 29.5-154.6 -84.8 122.3 26.6 -14.6 -0.3 50 55 H Q E +n 79 0I 99 -2,-0.5 30,-0.1 28,-0.2 21,-0.1 -0.883 18.8 177.7-102.6 126.9 29.5 -14.1 2.2 51 56 H L > + 0 0 1 28,-1.8 3,-1.7 -2,-0.5 2,-0.4 0.724 16.8 176.3 -98.5 -25.4 31.7 -11.1 1.8 52 57 H G T 3 S+ 0 0 28 27,-0.5 29,-0.7 1,-0.3 -1,-0.2 -0.412 72.4 11.0 65.4-114.2 33.9 -11.7 4.8 53 58 H K T 3 S+ 0 0 90 -2,-0.4 33,-1.5 31,-0.1 32,-0.5 0.529 127.5 65.4 -77.7 -4.5 36.7 -9.1 5.0 54 59 H c B < -p 86 0J 0 -3,-1.7 27,-0.3 30,-0.2 2,-0.3 -0.586 69.0-143.5-108.0 172.2 34.9 -7.0 2.3 55 60 H N > - 0 0 27 31,-1.0 4,-2.8 -2,-0.2 5,-0.2 -0.857 41.8 -88.4-127.7 170.6 31.7 -5.1 2.0 56 61 H V H > S+ 0 0 2 -2,-0.3 4,-2.9 1,-0.2 5,-0.3 0.852 126.7 49.7 -46.9 -44.3 29.3 -4.7 -1.0 57 62 H A H > S+ 0 0 3 1,-0.2 4,-2.9 2,-0.2 5,-0.3 0.965 113.6 44.0 -59.7 -54.5 31.2 -1.6 -2.2 58 63 H G H >>S+ 0 0 0 2,-0.2 5,-2.5 1,-0.2 4,-1.8 0.852 115.3 50.3 -59.9 -37.3 34.6 -3.3 -2.1 59 64 H W H <5S+ 0 0 9 -4,-2.8 -2,-0.2 3,-0.2 -1,-0.2 0.981 114.5 41.7 -64.0 -58.5 33.2 -6.5 -3.6 60 65 H L H <5S+ 0 0 0 -4,-2.9 -2,-0.2 1,-0.2 -3,-0.2 0.903 120.2 43.2 -55.4 -47.7 31.5 -4.7 -6.6 61 66 H L H <5S- 0 0 1 -4,-2.9 84,-1.8 -5,-0.3 85,-0.3 0.813 111.5-117.6 -73.1 -30.0 34.4 -2.3 -7.2 62 67 H G T <5 - 0 0 7 -4,-1.8 82,-2.3 -5,-0.3 -3,-0.2 0.857 29.5-159.1 90.5 41.2 37.1 -5.0 -6.8 63 68 H N > < - 0 0 7 -5,-2.5 3,-2.3 80,-0.2 -1,-0.1 -0.272 28.3-118.2 -43.8 135.7 39.0 -3.6 -3.8 64 69 H P G > S+ 0 0 2 0, 0.0 3,-0.7 0, 0.0 -1,-0.2 0.663 113.1 61.8 -60.5 -17.0 42.4 -5.4 -4.1 65 70 H E G 3 S+ 0 0 53 1,-0.2 3,-0.2 22,-0.1 -12,-0.1 0.492 95.0 63.6 -86.2 -4.0 41.8 -7.1 -0.7 66 71 H c G <> + 0 0 9 -3,-2.3 4,-0.7 -8,-0.2 3,-0.4 0.211 65.9 104.0-106.7 12.1 38.8 -8.9 -2.2 67 72 H D T <4 S+ 0 0 56 -3,-0.7 2,-2.3 1,-0.3 -1,-0.2 0.923 74.5 62.0 -58.7 -45.3 40.5 -11.0 -4.8 68 73 H L T 4 S+ 0 0 152 -3,-0.2 -1,-0.3 1,-0.1 -3,-0.0 -0.305 101.5 58.6 -79.0 55.8 40.2 -14.1 -2.7 69 74 H L T 4 + 0 0 33 -2,-2.3 -2,-0.2 -3,-0.4 -1,-0.1 0.385 47.9 129.5-141.9 -79.4 36.4 -13.9 -2.8 70 75 H L < + 0 0 91 -4,-0.7 -19,-0.0 1,-0.2 -3,-0.0 0.566 25.8 139.6 1.5 94.9 34.5 -14.0 -6.1 71 76 H T + 0 0 98 -21,-0.1 3,-0.3 0, 0.0 -1,-0.2 0.141 22.2 142.5-138.0 11.1 32.0 -16.7 -5.3 72 77 H A + 0 0 31 1,-0.2 40,-0.1 -23,-0.0 38,-0.1 -0.374 8.1 123.4 -63.1 127.6 28.9 -15.2 -7.0 73 78 H N S S- 0 0 122 -2,-0.1 37,-0.9 34,-0.1 2,-0.3 0.241 84.5 -36.2-136.0 -55.5 26.5 -17.5 -8.7 74 79 H S - 0 0 38 -3,-0.3 2,-0.3 35,-0.2 -27,-0.2 -0.899 62.6-174.4-168.5 145.1 23.2 -16.8 -7.1 75 80 H W B -Q 107 0K 7 32,-2.2 32,-0.7 -2,-0.3 3,-0.1 -0.980 29.9-143.5-150.1 159.4 22.2 -16.0 -3.5 76 81 H S S S- 0 0 11 -29,-1.2 186,-0.3 1,-0.3 2,-0.3 0.674 86.2 -10.0 -98.4 -22.9 19.2 -15.5 -1.2 77 82 H Y - 0 0 0 -30,-0.3 -28,-2.5 184,-0.1 2,-0.3 -0.963 69.2-107.7-167.0 161.5 20.8 -12.8 1.0 78 83 H I E -no 49 263I 2 184,-1.5 186,-2.6 -2,-0.3 2,-0.5 -0.784 24.2-155.7 -99.4 142.4 24.1 -11.0 1.7 79 84 H I E -no 50 264I 4 -30,-2.9 -28,-1.8 -2,-0.3 -27,-0.5 -0.974 10.0-176.6-115.4 125.4 26.1 -11.6 4.9 80 85 H E E - o 0 265I 16 184,-2.5 186,-2.1 -2,-0.5 2,-0.2 -0.948 12.3-150.7-115.1 144.6 28.6 -9.0 6.2 81 86 H T > - 0 0 35 -29,-0.7 3,-1.3 -2,-0.4 186,-0.1 -0.538 34.3-101.2-104.9 173.9 30.7 -9.6 9.3 82 87 H S T 3 S+ 0 0 70 1,-0.3 185,-0.1 -2,-0.2 -29,-0.1 0.576 122.8 63.1 -70.7 -6.3 32.2 -7.2 11.9 83 88 H N T 3 S+ 0 0 104 -31,-0.2 2,-1.0 1,-0.1 3,-0.4 0.007 71.6 115.4-100.7 25.9 35.4 -7.6 9.9 84 89 H S < + 0 0 18 -3,-1.3 -30,-0.2 1,-0.2 -31,-0.1 -0.487 30.3 115.7-100.1 65.5 33.9 -6.1 6.7 85 90 H E + 0 0 133 -2,-1.0 2,-1.2 -32,-0.5 3,-0.2 0.788 40.5 93.5-103.0 -33.6 36.0 -2.9 6.2 86 91 H N B +p 54 0J 43 -33,-1.5 -31,-1.0 -3,-0.4 -23,-0.1 -0.479 58.5 104.6 -66.8 97.5 37.9 -3.2 2.9 87 92 H G S S+ 0 0 2 -2,-1.2 2,-1.1 -33,-0.2 3,-0.2 0.225 76.1 22.0-133.0 -98.0 35.4 -1.5 0.6 88 93 H T + 0 0 46 -3,-0.2 -1,-0.2 1,-0.2 4,-0.1 -0.722 64.3 171.2 -80.9 101.3 36.0 2.0 -0.8 89 94 H d + 0 0 5 -2,-1.1 -1,-0.2 -3,-0.1 46,-0.1 0.854 64.4 63.6 -85.6 -36.8 39.8 2.3 -0.4 90 95 H Y S S- 0 0 4 -3,-0.2 135,-0.1 1,-0.1 129,-0.1 -0.831 104.5-108.3 -84.7 123.2 40.2 5.6 -2.3 91 96 H P + 0 0 9 0, 0.0 134,-1.5 0, 0.0 2,-0.3 -0.163 69.2 93.8 -58.5 141.0 38.2 8.1 -0.2 92 97 H G S S- 0 0 34 132,-0.3 2,-0.5 -4,-0.1 134,-0.2 -0.958 70.3 -64.2 161.6-176.6 35.0 9.4 -1.7 93 98 H E - 0 0 124 132,-0.3 134,-2.2 -2,-0.3 2,-0.8 -0.880 27.9-148.5-108.5 129.1 31.2 9.0 -1.9 94 99 H F B > -r 227 0K 20 -2,-0.5 3,-1.0 132,-0.2 134,-0.2 -0.851 31.4-131.5 -92.5 107.6 29.5 5.9 -3.3 95 100 H I T 3 S- 0 0 22 132,-2.4 5,-0.1 -2,-0.8 134,-0.1 -0.362 78.4 -4.0 -72.7 135.7 26.3 7.4 -4.7 96 101 H D T 3> S+ 0 0 67 -2,-0.1 4,-1.7 3,-0.1 -1,-0.3 0.876 84.9 155.1 52.3 44.8 22.9 5.7 -3.9 97 102 H Y H <> + 0 0 38 -3,-1.0 4,-2.8 2,-0.2 5,-0.2 0.925 65.1 49.3 -69.1 -50.9 24.8 3.0 -2.0 98 103 H E H > S+ 0 0 36 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.863 111.8 53.1 -59.4 -35.4 22.1 1.8 0.4 99 104 H E H > S+ 0 0 3 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.913 109.6 46.3 -64.9 -45.5 19.8 1.6 -2.6 100 105 H L H X S+ 0 0 2 -4,-1.7 4,-1.1 2,-0.2 -2,-0.2 0.915 110.1 54.2 -63.5 -44.3 22.1 -0.6 -4.6 101 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