==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER VIRAL PROTEIN 01-SEP-09 2WRG . COMPND 2 MOLECULE: HEMAGGLUTININ HA1 CHAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: INFLUENZA A VIRUS (A/BREVIG . AUTHOR J.LIU,D.J.STEVENS,L.F.HAIRE,P.A.WALKER,P.J.COOMBS, . 1452 6 16 13 3 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 56180.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 920 63.4 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 . 268 18.5 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 . 3 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 5 0.3 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 . 144 9.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 72 5.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 268 18.5 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 5 3 1 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 . 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 . 20 16 24 6 0 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 ANTIPARALLEL BRIDGES PER LADDER . 9 18 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 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 37 0, 0.0 464,-2.4 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 123.6 -21.7 -50.7 45.1 2 6 H T E -AB 352 464A 22 350,-1.7 350,-3.6 462,-0.2 2,-0.4 -0.998 360.0-164.0-145.3 144.1 -20.5 -47.5 43.4 3 7 H I E - B 0 463A 0 460,-1.3 460,-2.1 -2,-0.3 2,-0.4 -0.977 21.5-159.6-118.8 144.3 -19.6 -45.9 40.1 4 8 H a E - B 0 462A 6 -2,-0.4 346,-2.1 458,-0.2 2,-0.3 -0.951 12.2-141.7-127.3 145.2 -17.7 -42.5 40.0 5 9 H I E +E 349 0B 0 456,-2.2 2,-0.3 -2,-0.4 344,-0.2 -0.795 40.3 135.0 -98.5 145.4 -17.1 -39.8 37.5 6 10 H G E -E 348 0B 0 342,-2.4 342,-2.6 -2,-0.3 2,-0.3 -0.993 39.3-102.4-176.8 177.5 -13.7 -38.1 37.2 7 11 H Y E -E 347 0B 0 330,-0.4 332,-2.9 -2,-0.3 340,-0.3 -0.858 33.8 -92.1-129.0 154.3 -10.8 -36.8 35.2 8 12 H H B +g 339 0C 18 338,-3.2 313,-0.3 -2,-0.3 2,-0.3 -0.121 38.4 176.3 -56.1 146.9 -7.3 -37.6 34.0 9 13 H A + 0 0 1 330,-1.3 2,-0.3 333,-0.6 311,-0.1 -0.949 5.9 165.7-144.5 162.2 -4.3 -36.5 36.0 10 14 H N - 0 0 28 -2,-0.3 330,-0.1 2,-0.2 331,-0.1 -0.908 51.0 -76.6-161.3-169.2 -0.6 -37.2 35.5 11 15 H N S S+ 0 0 155 -2,-0.3 16,-0.0 329,-0.1 2,-0.0 0.294 77.5 131.8 -86.3 10.5 3.1 -36.5 36.2 12 16 H S - 0 0 21 1,-0.1 -2,-0.2 15,-0.1 16,-0.1 -0.298 35.2-177.3 -67.6 145.4 3.0 -33.4 34.0 13 17 H T + 0 0 114 14,-0.1 -1,-0.1 12,-0.1 14,-0.1 0.214 34.8 136.6-128.3 9.4 4.5 -30.1 35.3 14 18 H D - 0 0 60 12,-0.4 12,-2.0 13,-0.1 2,-0.4 -0.299 37.6-158.6 -49.9 136.8 3.6 -27.9 32.3 15 19 H T E -H 25 0D 26 10,-0.2 2,-0.3 12,-0.0 10,-0.2 -0.991 12.9-178.7-129.1 139.5 2.3 -24.5 33.3 16 20 H V E -H 24 0D 0 8,-2.0 8,-2.9 -2,-0.4 2,-0.4 -0.890 26.2-120.7-125.0 155.7 0.1 -22.1 31.3 17 21 H D - 0 0 43 296,-0.5 412,-0.2 -2,-0.3 2,-0.2 -0.856 25.9-167.6 -98.3 135.0 -1.2 -18.7 32.3 18 22 H T - 0 0 0 3,-3.0 409,-0.2 -2,-0.4 408,-0.1 -0.656 35.6-106.3-109.3 173.3 -5.0 -18.1 32.3 19 23 H V S S+ 0 0 1 407,-1.1 846,-0.2 -2,-0.2 408,-0.1 0.868 119.3 33.7 -72.0 -33.6 -6.7 -14.7 32.5 20 24 H L S S+ 0 0 34 1,-0.2 2,-0.4 406,-0.2 841,-0.2 0.648 126.0 36.6 -90.1 -19.3 -7.9 -15.2 36.1 21 25 H E - 0 0 84 840,-0.1 -3,-3.0 841,-0.0 3,-0.2 -0.986 67.1-143.6-144.3 130.9 -4.9 -17.2 37.3 22 26 H K S S+ 0 0 99 -2,-0.4 -5,-0.2 -5,-0.2 -3,-0.0 -0.597 77.9 12.3 -84.6 150.4 -1.1 -17.2 36.7 23 27 H N S S+ 0 0 101 -2,-0.2 2,-0.5 1,-0.2 -6,-0.2 0.934 72.1 178.3 53.7 71.8 0.9 -20.4 36.5 24 28 H V E -H 16 0D 4 -8,-2.9 -8,-2.0 -3,-0.2 2,-0.3 -0.906 26.1-130.4-107.5 126.1 -1.6 -23.3 36.3 25 29 H T E -H 15 0D 52 -2,-0.5 295,-2.5 -10,-0.2 2,-0.3 -0.589 32.0-176.9 -76.6 132.8 -0.3 -26.8 36.0 26 30 H V B -I 319 0E 0 -12,-2.0 -12,-0.4 -2,-0.3 293,-0.2 -0.893 35.8-123.8-130.0 156.9 -2.0 -28.7 33.2 27 31 H T S S+ 0 0 3 291,-2.6 2,-0.3 -2,-0.3 -13,-0.1 0.844 93.0 7.7 -69.5 -34.1 -1.9 -32.3 31.9 28 32 H H + 0 0 73 290,-0.2 289,-2.1 -16,-0.1 288,-1.9 -0.985 66.4 164.2-146.0 155.8 -0.9 -31.3 28.3 29 33 H S E -J 315 0F 21 -2,-0.3 2,-0.3 286,-0.3 286,-0.2 -0.988 22.5-136.2-161.0 164.6 0.0 -28.2 26.4 30 34 H V E -J 314 0F 45 284,-2.6 284,-2.9 -2,-0.3 2,-0.4 -0.936 21.5-123.8-124.5 156.7 1.5 -26.8 23.2 31 35 H N E +J 313 0F 47 -2,-0.3 282,-0.2 282,-0.2 3,-0.0 -0.800 21.6 179.0 -96.0 139.3 4.1 -24.1 22.6 32 36 H L + 0 0 0 280,-1.8 260,-1.6 -2,-0.4 2,-0.5 0.459 61.9 79.8-112.1 -9.8 3.0 -21.3 20.3 33 37 H L E -k 292 0G 0 279,-0.3 2,-0.6 258,-0.1 260,-0.2 -0.892 66.9-148.3-109.5 120.2 6.3 -19.3 20.6 34 38 H E E +k 293 0G 30 258,-3.7 260,-2.0 -2,-0.5 261,-0.3 -0.758 29.2 159.3 -81.0 119.9 9.5 -20.1 18.7 35 39 H D + 0 0 79 -2,-0.6 2,-0.4 258,-0.2 -1,-0.1 0.103 44.8 85.0-130.0 24.9 12.4 -19.1 21.0 36 40 H S - 0 0 70 251,-0.1 251,-0.3 2,-0.0 2,-0.2 -0.990 55.3-160.6-130.4 131.2 15.2 -21.2 19.6 37 41 H H - 0 0 89 -2,-0.4 249,-0.2 249,-0.1 248,-0.1 -0.619 24.2-122.9-111.4 177.7 17.5 -20.5 16.7 38 42 H N - 0 0 64 247,-2.0 246,-0.1 -2,-0.2 248,-0.1 0.749 30.5-133.8 -93.6 -29.0 19.8 -22.5 14.4 39 44 H G S S+ 0 0 31 246,-0.2 2,-0.3 1,-0.2 245,-0.1 0.267 75.5 87.7 91.4 -8.1 23.1 -20.8 15.0 40 45 H K S S- 0 0 69 230,-0.2 245,-1.6 245,-0.1 2,-0.8 -0.932 79.3-121.4-132.2 144.5 23.8 -20.8 11.2 41 46 H L E -m 272 0H 0 230,-2.0 232,-2.0 -2,-0.3 234,-0.1 -0.742 49.3-168.3 -81.9 110.3 23.1 -18.6 8.2 42 47 H b E - 0 0 0 -2,-0.8 234,-0.2 230,-0.2 2,-0.2 -0.256 25.1 -78.0-102.2 179.2 21.1 -21.0 6.0 43 48 H K E -m 276 0H 55 232,-3.2 234,-1.1 5,-0.1 2,-0.6 -0.520 38.6-146.3 -74.4 143.9 19.8 -21.3 2.4 44 49 H L E > S-mN 277 47H 9 3,-2.6 3,-0.9 1,-0.2 234,-0.1 -0.918 76.9 -14.0-117.6 105.1 16.7 -19.3 1.6 45 49AH K T 3 S- 0 0 187 232,-0.9 -1,-0.2 -2,-0.6 3,-0.1 0.922 128.4 -53.2 73.9 42.4 14.3 -20.9 -0.8 46 50 H G T 3 S+ 0 0 42 1,-0.2 -1,-0.2 231,-0.2 2,-0.2 0.019 120.7 97.5 84.6 -29.2 16.8 -23.5 -2.0 47 51 H I B < -N 44 0H 69 -3,-0.9 -3,-2.6 1,-0.1 -1,-0.2 -0.600 68.8-122.7 -98.9 155.7 19.5 -20.9 -2.8 48 52 H A - 0 0 43 27,-0.3 29,-1.4 -5,-0.2 30,-0.3 -0.547 27.1-103.9 -95.1 158.2 22.5 -19.8 -0.7 49 53 H P - 0 0 12 0, 0.0 2,-0.5 0, 0.0 30,-0.2 -0.440 34.4-110.5 -72.2 150.7 23.4 -16.2 0.4 50 54 H L E -o 79 0I 9 28,-2.3 30,-2.7 56,-0.2 2,-0.4 -0.730 33.2-154.9 -75.3 126.4 26.2 -14.3 -1.3 51 55 H Q E -o 80 0I 95 -2,-0.5 30,-0.1 28,-0.2 28,-0.0 -0.882 15.4-175.4-104.3 142.5 29.2 -14.0 1.1 52 56 H L > - 0 0 1 28,-0.8 3,-2.1 -2,-0.4 2,-0.3 0.460 16.9-160.5-116.0 -4.6 31.6 -11.1 0.7 53 57 H G T 3 S- 0 0 39 1,-0.3 29,-0.4 27,-0.2 -1,-0.3 -0.435 74.9 -6.8 64.2-119.5 34.2 -11.9 3.3 54 58 H K T 3 S+ 0 0 57 -2,-0.3 33,-2.3 12,-0.2 32,-0.6 0.479 122.9 83.1 -90.3 -2.3 36.2 -8.8 4.2 55 59 H c B < -q 87 0J 0 -3,-2.1 2,-0.2 30,-0.2 27,-0.2 -0.696 66.1-143.5-101.0 153.3 34.5 -6.7 1.5 56 60 H N > - 0 0 33 31,-1.9 4,-2.4 -2,-0.3 5,-0.3 -0.623 42.9 -86.1-104.1 171.2 31.2 -4.8 1.5 57 61 H I H > S+ 0 0 0 1,-0.2 4,-2.0 -2,-0.2 5,-0.2 0.822 127.9 50.9 -44.5 -40.7 28.8 -4.4 -1.5 58 62 H A H > S+ 0 0 3 2,-0.2 4,-3.4 1,-0.2 5,-0.3 0.954 111.1 45.2 -64.6 -51.6 30.8 -1.4 -2.7 59 63 H G H >>S+ 0 0 0 28,-0.4 5,-2.6 -3,-0.3 4,-1.8 0.879 114.3 49.2 -61.6 -39.9 34.2 -3.0 -2.7 60 64 H W H <5S+ 0 0 12 -4,-2.4 -1,-0.2 3,-0.2 -2,-0.2 0.879 116.0 42.9 -69.5 -38.2 32.9 -6.2 -4.3 61 65 H L H <5S+ 0 0 1 -4,-2.0 -2,-0.2 -5,-0.3 -1,-0.2 0.947 118.6 42.7 -70.5 -49.5 31.1 -4.2 -7.1 62 66 H L H <5S- 0 0 1 -4,-3.4 85,-1.5 -5,-0.2 86,-0.4 0.763 113.0-116.2 -69.2 -26.4 33.9 -1.7 -7.7 63 67 H G T <5 - 0 0 6 -4,-1.8 83,-3.1 -5,-0.3 -3,-0.2 0.872 33.1-161.6 87.4 42.0 36.6 -4.4 -7.6 64 68 H N > < - 0 0 10 -5,-2.6 3,-2.1 81,-0.2 81,-0.1 -0.293 30.8-114.1 -47.0 138.3 38.6 -3.3 -4.5 65 69 H P T 3 S+ 0 0 2 0, 0.0 3,-0.3 0, 0.0 -1,-0.1 0.551 113.7 61.5 -61.5 -7.5 42.0 -5.0 -4.7 66 70 H E T 3 S+ 0 0 99 1,-0.2 3,-0.4 22,-0.1 2,-0.3 0.549 89.0 70.4 -93.5 -9.9 41.2 -7.0 -1.6 67 71 H c < + 0 0 6 -3,-2.1 -1,-0.2 1,-0.2 -3,-0.0 -0.319 57.4 120.0-103.1 48.2 38.1 -8.8 -3.1 68 72 H D S S+ 0 0 61 -2,-0.3 -1,-0.2 -3,-0.3 3,-0.2 0.649 74.2 48.7 -87.7 -14.6 40.1 -11.0 -5.5 69 73 H L S S+ 0 0 112 -3,-0.4 -2,-0.1 1,-0.2 -1,-0.1 0.917 100.3 58.3 -89.3 -50.1 38.7 -14.2 -3.9 70 74 H L + 0 0 10 1,-0.2 2,-3.5 -18,-0.2 -1,-0.2 0.302 64.2 120.4 -69.7 14.7 35.0 -13.6 -3.7 71 75 H L + 0 0 84 -3,-0.2 2,-0.4 1,-0.1 -1,-0.2 -0.116 56.3 105.3 -64.1 45.8 35.0 -13.1 -7.5 72 76 H T + 0 0 98 -2,-3.5 2,-0.3 2,-0.0 -1,-0.1 -0.933 37.8 113.0-142.3 105.3 32.6 -16.0 -7.1 73 77 H A + 0 0 44 -2,-0.4 3,-0.1 38,-0.1 -23,-0.0 -0.956 18.2 166.2-160.8 164.7 28.9 -15.8 -7.4 74 78 H S S S- 0 0 86 -2,-0.3 37,-1.5 1,-0.1 2,-0.2 0.369 76.0 -13.6-154.2 -26.9 26.2 -17.1 -9.7 75 79 H S - 0 0 37 35,-0.2 2,-0.3 -27,-0.1 -27,-0.3 -0.750 62.7-173.4 176.9 130.0 22.8 -16.5 -8.0 76 80 H W B -R 108 0K 5 32,-1.3 32,-2.0 -2,-0.2 3,-0.1 -0.984 26.7-148.0-141.2 153.2 21.9 -15.7 -4.4 77 81 H S S S- 0 0 17 -29,-1.4 187,-0.3 -2,-0.3 2,-0.3 0.702 84.9 -14.8 -90.9 -24.2 18.8 -15.4 -2.2 78 82 H Y S S- 0 0 0 -30,-0.3 -28,-2.3 185,-0.1 2,-0.4 -0.966 71.0-104.9-167.1 168.4 20.2 -12.6 0.0 79 83 H I E -op 50 265I 0 185,-1.2 187,-2.5 -2,-0.3 2,-0.4 -0.844 21.8-154.8-109.5 143.9 23.5 -11.0 0.9 80 84 H V E -op 51 266I 3 -30,-2.7 -28,-0.8 -2,-0.4 2,-0.3 -0.953 10.1-177.4-115.6 130.3 25.6 -11.4 4.1 81 85 H E E - p 0 267I 24 185,-1.8 187,-1.9 -2,-0.4 2,-0.2 -0.902 12.0-154.1-118.3 155.2 28.0 -8.9 5.5 82 86 H T > - 0 0 37 -29,-0.4 3,-0.6 -2,-0.3 187,-0.1 -0.697 35.1 -98.1-124.6 173.3 30.2 -9.4 8.6 83 87 H S T 3 S+ 0 0 69 1,-0.3 2,-0.6 -2,-0.2 186,-0.1 0.786 122.9 56.8 -59.5 -27.3 31.9 -7.4 11.3 84 88 H N T 3 S+ 0 0 108 1,-0.1 -1,-0.3 -31,-0.1 3,-0.1 -0.487 76.7 106.4-106.7 60.7 35.0 -7.8 9.2 85 89 H S < + 0 0 15 -2,-0.6 -30,-0.2 -3,-0.6 -31,-0.1 -0.563 30.4 121.9-138.7 64.8 33.7 -6.3 6.0 86 90 H E + 0 0 132 -32,-0.6 2,-0.9 -2,-0.1 -31,-0.2 0.520 35.9 107.0-111.3 -8.4 35.3 -2.8 5.6 87 91 H N B +q 55 0J 36 -33,-2.3 -31,-1.9 1,-0.1 -28,-0.4 -0.629 50.5 103.3 -74.1 107.2 37.1 -3.1 2.3 88 92 H G S S+ 0 0 4 -2,-0.9 2,-1.2 -33,-0.2 3,-0.2 0.004 72.4 20.0-143.3-107.8 34.9 -1.0 -0.0 89 93 H T + 0 0 46 1,-0.2 4,-0.1 -3,-0.1 -1,-0.1 -0.691 62.5 170.0 -78.5 97.5 35.5 2.5 -1.4 90 94 H d + 0 0 7 -2,-1.2 -1,-0.2 2,-0.1 47,-0.1 0.879 64.9 63.1 -83.4 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