==== 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 12-DEC-03 1RUY . COMPND 2 MOLECULE: HEMAGGLUTININ; . SOURCE 2 ORGANISM_SCIENTIFIC: INFLUENZA A VIRUS (A/SWINE/IOWA/15/30( . 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) . 58358.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 943 64.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 81 5.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 302 20.8 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 . 115 7.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 102 7.0 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 . 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 0 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 . 30 16 17 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 . 12 12 6 0 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 26 0, 0.0 464,-2.4 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 127.5 90.5 -32.1 72.3 2 6 H T E -AB 352 464A 20 350,-1.4 350,-3.6 462,-0.2 2,-0.4 -0.914 360.0-165.8-126.6 151.2 90.2 -29.5 69.5 3 7 H L E - B 0 463A 0 460,-2.3 460,-2.9 -2,-0.3 2,-0.3 -0.971 14.6-169.9-136.2 117.1 87.9 -28.8 66.6 4 8 H a E - B 0 462A 18 -2,-0.4 346,-1.8 458,-0.3 2,-0.5 -0.789 15.8-142.1-110.5 154.3 88.8 -26.4 63.9 5 9 H I E +D 349 0B 0 456,-3.0 344,-0.2 -2,-0.3 2,-0.2 -0.956 37.9 148.3-115.2 116.6 86.8 -24.9 61.0 6 10 H G E -D 348 0B 1 342,-2.8 342,-2.7 -2,-0.5 2,-0.3 -0.732 34.4-114.9-137.0-173.0 88.7 -24.4 57.7 7 11 H Y E -D 347 0B 0 330,-0.5 332,-3.0 340,-0.2 340,-0.3 -0.932 33.2 -88.4-133.7 154.8 88.6 -24.3 54.0 8 12 H H B +f 339 0C 19 338,-3.0 313,-0.4 -2,-0.3 2,-0.3 0.073 40.1 169.3 -53.9 162.0 89.9 -26.3 51.0 9 13 H A + 0 0 1 330,-0.6 2,-0.3 333,-0.5 311,-0.1 -0.937 3.0 165.7-168.2 156.3 93.1 -25.6 49.1 10 14 H N - 0 0 29 -2,-0.3 330,-0.1 2,-0.1 328,-0.1 -0.902 51.9 -73.7-161.0-169.8 95.2 -27.4 46.5 11 15 H N S S+ 0 0 156 -2,-0.3 16,-0.1 329,-0.1 309,-0.0 0.202 75.0 138.2 -86.1 16.5 98.0 -27.4 43.9 12 16 H S - 0 0 23 1,-0.1 -2,-0.1 15,-0.1 16,-0.1 -0.286 35.1-173.3 -63.9 146.2 96.0 -25.2 41.5 13 17 H T + 0 0 121 14,-0.1 -1,-0.1 12,-0.1 14,-0.1 0.314 38.3 134.8-119.5 0.7 97.7 -22.4 39.7 14 18 H D - 0 0 52 12,-0.3 12,-2.3 11,-0.1 2,-0.3 -0.192 36.9-162.4 -52.5 140.5 94.6 -21.0 38.0 15 19 H T E +G 25 0D 31 10,-0.3 2,-0.3 12,-0.0 10,-0.2 -0.970 14.0 177.6-133.1 147.2 94.4 -17.2 38.3 16 20 H V E -G 24 0D 2 8,-1.8 8,-2.9 -2,-0.3 2,-0.3 -0.955 22.7-125.8-141.2 158.3 91.6 -14.6 37.9 17 21 H D - 0 0 67 -2,-0.3 2,-0.3 296,-0.3 5,-0.2 -0.735 22.5-171.9-105.6 157.0 91.3 -10.9 38.2 18 22 H T - 0 0 1 3,-2.2 409,-0.1 -2,-0.3 408,-0.1 -0.905 41.0 -98.1-140.1 167.4 88.9 -8.9 40.3 19 23 H V S S+ 0 0 9 407,-0.5 846,-0.3 -2,-0.3 847,-0.1 0.901 123.0 31.2 -52.3 -46.7 87.9 -5.3 40.7 20 24 H L S S+ 0 0 38 1,-0.2 2,-0.4 842,-0.1 841,-0.2 0.724 126.6 29.7 -87.0 -26.9 90.2 -4.9 43.8 21 25 H E - 0 0 84 840,-0.1 -3,-2.2 841,-0.0 2,-0.3 -0.996 63.6-147.1-144.0 138.4 93.0 -7.3 43.0 22 26 H K S S+ 0 0 91 -2,-0.4 -5,-0.2 -5,-0.2 -3,-0.0 -0.672 75.4 19.5-100.3 155.2 94.7 -8.7 40.0 23 27 H N S S+ 0 0 107 -2,-0.3 2,-0.6 1,-0.2 -1,-0.2 0.964 72.1 176.0 53.1 67.6 96.1 -12.2 39.5 24 28 H V E -G 16 0D 2 -8,-2.9 -8,-1.8 -3,-0.2 2,-0.3 -0.910 27.0-131.5-105.5 119.8 94.4 -14.1 42.3 25 29 H T E -G 15 0D 53 -2,-0.6 295,-2.2 -10,-0.2 2,-0.3 -0.513 28.7-167.0 -72.6 132.9 95.1 -17.8 42.5 26 30 H V B -H 319 0E 0 -12,-2.3 -12,-0.3 293,-0.3 293,-0.2 -0.773 29.5-134.2-120.0 163.0 92.0 -19.9 42.8 27 31 H T S S+ 0 0 5 291,-2.1 2,-0.3 1,-0.3 292,-0.1 0.784 91.9 11.5 -85.1 -30.0 91.2 -23.5 43.7 28 32 H H + 0 0 71 290,-0.2 288,-2.6 -16,-0.1 289,-2.4 -0.992 68.2 156.8-150.3 142.0 88.7 -24.0 40.9 29 33 H S E -I 315 0F 21 -2,-0.3 2,-0.4 286,-0.3 286,-0.2 -0.981 28.1-133.3-158.1 163.9 87.7 -22.1 37.7 30 34 H V E -I 314 0F 53 284,-2.3 284,-2.6 -2,-0.3 2,-0.5 -0.992 18.4-134.4-127.6 131.7 86.1 -22.5 34.3 31 35 H N E -I 313 0F 60 -2,-0.4 282,-0.2 282,-0.2 -2,-0.0 -0.742 19.5-177.7 -84.3 126.8 87.5 -21.0 31.1 32 36 H L + 0 0 7 280,-3.0 260,-1.8 -2,-0.5 2,-0.6 0.530 56.8 87.5-100.5 -8.8 84.7 -19.4 29.1 33 37 H L E -j 292 0G 5 279,-0.6 2,-0.4 258,-0.1 260,-0.2 -0.830 62.1-154.9-101.5 117.3 86.8 -18.3 26.1 34 38 H E E +j 293 0G 29 258,-2.5 260,-1.6 -2,-0.6 261,-0.3 -0.726 21.9 164.3 -86.9 132.7 87.3 -20.7 23.2 35 39 H D + 0 0 98 -2,-0.4 2,-0.4 258,-0.2 -1,-0.1 0.120 42.2 92.6-137.5 24.9 90.5 -20.0 21.3 36 40 H S + 0 0 73 2,-0.0 251,-0.4 248,-0.0 2,-0.3 -0.958 37.5 164.2-127.2 141.4 91.2 -23.1 19.3 37 41 H H - 0 0 79 -2,-0.4 249,-0.2 249,-0.1 243,-0.0 -0.938 42.2-118.9-144.7 163.0 90.2 -24.2 15.7 38 42 H N - 0 0 64 247,-1.6 246,-0.1 -2,-0.3 248,-0.1 0.268 40.4-126.2 -91.1 11.6 91.4 -26.9 13.3 39 44 H G S S+ 0 0 27 246,-0.2 2,-0.3 1,-0.2 245,-0.2 0.737 73.2 113.9 51.2 27.6 92.6 -24.5 10.7 40 45 H K - 0 0 67 230,-0.1 2,-0.8 245,-0.1 245,-0.8 -0.952 69.4-127.0-131.7 149.1 90.4 -26.3 8.1 41 46 H L E +l 272 0H 0 230,-2.8 232,-2.0 -2,-0.3 2,-0.1 -0.836 42.4 178.1 -93.6 109.7 87.3 -25.5 6.0 42 47 H b E - 0 0 0 -2,-0.8 2,-0.3 230,-0.2 234,-0.2 -0.435 28.7 -92.9-106.4-179.8 84.8 -28.3 6.8 43 48 H R E -l 276 0H 61 232,-2.5 234,-1.6 230,-0.2 2,-0.3 -0.681 28.2-151.3 -96.7 150.0 81.3 -29.1 5.7 44 49 H L B > S+M 47 0I 21 3,-1.4 3,-2.4 -2,-0.3 234,-0.1 -0.895 80.7 10.3-116.0 148.1 78.2 -28.1 7.6 45 49AH G T 3 S- 0 0 78 232,-0.4 -1,-0.2 -2,-0.3 3,-0.1 0.808 131.0 -68.2 54.0 27.5 74.9 -30.1 7.5 46 50 H G T 3 S+ 0 0 54 231,-0.2 2,-0.4 -3,-0.2 -1,-0.3 0.713 110.1 119.6 65.7 21.9 77.0 -32.8 5.8 47 51 H I B < -M 44 0I 71 -3,-2.4 -3,-1.4 -5,-0.0 -1,-0.2 -0.971 63.0-121.8-123.6 133.7 77.4 -30.6 2.7 48 52 H A - 0 0 55 -2,-0.4 29,-1.6 -5,-0.2 30,-0.3 -0.234 28.7-113.5 -67.8 154.4 80.7 -29.4 1.3 49 53 H P - 0 0 14 0, 0.0 2,-0.8 0, 0.0 30,-0.2 -0.553 29.8-108.4 -86.2 158.4 81.3 -25.7 0.8 50 54 H L E -n 79 0J 6 28,-2.5 30,-3.3 -2,-0.2 2,-0.9 -0.801 30.3-158.3 -89.9 109.5 81.7 -24.2 -2.7 51 55 H Q E -n 80 0J 58 -2,-0.8 30,-0.1 28,-0.2 3,-0.1 -0.800 11.6-175.6 -91.4 102.3 85.4 -23.4 -3.2 52 56 H L E > + 0 0 0 28,-2.4 3,-2.6 -2,-0.9 -1,-0.2 0.695 20.3 176.7 -71.1 -19.4 85.5 -20.7 -6.0 53 57 H G E 3 +n 81 0J 14 27,-0.6 29,-0.7 1,-0.3 -1,-0.2 -0.294 69.3 3.8 55.0-117.3 89.3 -20.9 -5.8 54 58 H K T 3 S+ 0 0 74 31,-0.2 33,-2.8 -2,-0.2 32,-0.9 0.513 125.1 75.9 -77.9 -4.2 90.7 -18.6 -8.4 55 59 H c B < -p 87 0K 0 -3,-2.6 27,-0.4 30,-0.2 2,-0.2 -0.640 66.3-149.9-104.4 163.1 87.3 -17.4 -9.5 56 60 H N > - 0 0 27 31,-1.6 4,-2.3 -2,-0.2 3,-0.2 -0.733 43.7 -83.5-121.5 173.9 84.9 -15.0 -7.8 57 61 H I H > S+ 0 0 0 -2,-0.2 4,-2.8 1,-0.2 5,-0.3 0.879 128.6 53.4 -47.0 -44.2 81.1 -14.9 -7.8 58 62 H A H > S+ 0 0 5 1,-0.2 4,-2.8 2,-0.2 5,-0.4 0.954 109.8 45.8 -57.1 -52.7 81.1 -13.0 -11.1 59 63 H G H >>S+ 0 0 0 28,-0.4 5,-2.7 -3,-0.2 4,-1.5 0.865 115.0 49.8 -59.2 -35.1 83.3 -15.6 -12.8 60 64 H W H <5S+ 0 0 13 -4,-2.3 -2,-0.2 3,-0.2 -1,-0.2 0.979 115.6 38.6 -67.8 -57.2 81.2 -18.4 -11.4 61 65 H L H <5S+ 0 0 0 -4,-2.8 -2,-0.2 1,-0.2 -3,-0.2 0.881 122.1 42.9 -64.7 -41.0 77.7 -17.0 -12.4 62 66 H L H <5S- 0 0 0 -4,-2.8 85,-1.8 -5,-0.3 86,-0.3 0.823 112.1-120.2 -75.9 -29.6 78.8 -15.7 -15.8 63 67 H G T <5 - 0 0 3 -4,-1.5 83,-2.4 -5,-0.4 -3,-0.2 0.884 28.2-157.3 91.9 44.5 80.8 -18.8 -16.5 64 68 H N > < - 0 0 7 -5,-2.7 3,-2.3 81,-0.2 -1,-0.1 -0.277 26.7-117.0 -51.9 138.4 84.3 -17.4 -16.9 65 69 H P G > S+ 0 0 3 0, 0.0 3,-0.7 0, 0.0 -1,-0.2 0.692 113.1 60.3 -54.5 -22.9 86.4 -20.0 -19.0 66 70 H E G 3 S+ 0 0 111 1,-0.2 3,-0.2 22,-0.1 -12,-0.1 0.324 96.5 62.7 -89.7 9.9 88.8 -20.5 -16.1 67 71 H c G X> + 0 0 5 -3,-2.3 3,-2.3 -8,-0.2 4,-0.5 0.159 55.2 122.6-120.2 18.8 86.0 -21.7 -13.8 68 72 H D G X4 + 0 0 43 -3,-0.7 3,-1.7 1,-0.3 4,-0.4 0.822 66.4 72.6 -49.9 -31.8 84.8 -24.9 -15.7 69 73 H L G >4 S+ 0 0 138 1,-0.3 3,-0.5 -3,-0.2 -1,-0.3 0.842 96.1 50.3 -52.1 -35.0 85.6 -26.8 -12.4 70 74 H L G X4 S+ 0 0 10 -3,-2.3 3,-2.0 1,-0.2 -1,-0.3 0.607 82.4 95.9 -81.3 -12.8 82.5 -25.2 -10.8 71 75 H L G << S+ 0 0 57 -3,-1.7 -1,-0.2 -4,-0.5 -2,-0.1 0.820 85.7 44.7 -47.6 -42.0 80.2 -26.1 -13.7 72 76 H T G < S+ 0 0 133 -3,-0.5 2,-0.4 -4,-0.4 -1,-0.3 0.439 89.7 102.8 -87.6 1.5 78.8 -29.3 -12.1 73 77 H V < + 0 0 44 -3,-2.0 3,-0.1 1,-0.1 37,-0.0 -0.706 30.1 152.6 -87.1 133.3 78.3 -27.8 -8.6 74 78 H S + 0 0 58 -2,-0.4 37,-2.0 1,-0.3 2,-0.3 0.308 58.4 44.1-142.4 8.1 74.8 -26.9 -7.6 75 79 H S B +Q 110 0L 63 35,-0.2 -1,-0.3 3,-0.0 2,-0.3 -0.978 58.8 163.4-152.8 144.4 74.5 -27.2 -3.8 76 80 H W - 0 0 5 33,-2.1 3,-0.1 -2,-0.3 -28,-0.1 -0.985 42.0-133.8-157.8 162.0 76.7 -26.0 -1.0 77 81 H S S S- 0 0 15 -29,-1.6 2,-0.3 1,-0.4 187,-0.2 0.666 92.7 -20.0 -91.5 -22.4 76.9 -25.3 2.7 78 82 H Y - 0 0 0 -30,-0.3 -28,-2.5 185,-0.2 -1,-0.4 -0.899 69.6-105.9-178.7 153.8 78.6 -21.9 2.1 79 83 H I E -no 50 265J 1 185,-2.4 187,-2.3 -2,-0.3 2,-0.5 -0.758 27.3-157.1 -96.9 139.2 80.6 -20.1 -0.5 80 84 H V E -no 51 266J 0 -30,-3.3 -28,-2.4 -2,-0.4 -27,-0.6 -0.954 10.2-178.4-122.4 122.0 84.4 -19.6 -0.3 81 85 H E E -no 53 267J 15 185,-2.9 187,-2.8 -2,-0.5 -25,-0.1 -0.820 14.5-151.7-109.8 153.5 86.4 -16.9 -2.0 82 86 H T > - 0 0 22 -29,-0.7 3,-1.5 -27,-0.4 187,-0.1 -0.637 34.2 -99.4-118.7 175.3 90.2 -16.7 -1.7 83 87 H P T 3 S+ 0 0 69 0, 0.0 186,-0.1 0, 0.0 -29,-0.1 0.607 125.8 51.8 -69.3 -9.6 92.8 -13.8 -1.9 84 88 H N T 3 + 0 0 105 -31,-0.2 2,-1.6 -29,-0.1 3,-0.3 -0.041 69.2 123.5-116.7 29.4 93.4 -15.1 -5.4 85 89 H S < + 0 0 14 -3,-1.5 -30,-0.2 1,-0.2 -31,-0.2 -0.643 28.7 133.2 -90.0 78.8 89.8 -15.1 -6.6 86 90 H D + 0 0 117 -2,-1.6 2,-1.1 -32,-0.9 -31,-0.2 0.644 31.9 98.6-103.8 -20.9 90.6 -12.9 -9.6 87 91 H N B +p 55 0K 45 -33,-2.8 -31,-1.6 -3,-0.3 -28,-0.4 -0.597 49.8 114.3 -75.6 101.1 88.8 -14.7 -12.5 88 92 H G S S+ 0 0 4 -2,-1.1 2,-1.2 -33,-0.2 -22,-0.1 0.231 74.7 10.0-128.6-104.8 85.6 -12.8 -12.9 89 93 H T - 0 0 46 1,-0.2 4,-0.2 -3,-0.1 -1,-0.1 -0.722 59.6-176.0 -87.6 97.0 84.6 -10.7 -15.9 90 94 H d S S+ 0 0 7 -2,-1.2 -1,-0.2 1,-0.1 -31,-0.0 0.781 73.0 66.9 -63.4 -26.8 87.3 -11.6 -18.4 91 95 H Y S S- 0 0 6 -3,-0.1 136,-0.2 45,-0.1 -1,-0.1 -0.872 102.5-109.5 -98.3 117.0 85.8 -9.0 -20.8 92 96 H P + 0 0 8 0, 0.0 135,-2.0 0, 0.0 2,-0.3 -0.073 66.7 99.6 -47.0 130.8 86.3 -5.5 -19.4 93 97 H G - 0 0 29 133,-0.3 2,-0.4 -4,-0.2 135,-0.2 -0.964 68.8 -69.9 168.9 176.6 83.1 -3.8 -18.2 94 98 H D - 0 0 93 -2,-0.3 135,-2.7 599,-0.0 2,-0.8 -0.766 28.9-151.9 -96.7 133.3 80.8 -2.8 -15.3 95 99 H F B > -r 229 0L 19 -2,-0.4 3,-1.1 133,-0.2 135,-0.2 -0.878 27.2-135.6-104.8 100.3 78.7 -5.5 -13.5 96 100 H I T 3 S- 0 0 27 133,-2.1 135,-0.1 -2,-0.8 -2,-0.0 -0.285 77.1 -4.1 -63.0 136.5 75.6 -3.6 -12.3 97 101 H D T 3> S+ 0 0 61 1,-0.1 4,-1.6 3,-0.1 -1,-0.3 0.879 83.1 155.6 48.8 43.7 74.4 -4.1 -8.7 98 102 H Y H <> + 0 0 26 -3,-1.1 4,-2.1 2,-0.2 5,-0.2 0.916 67.0 50.8 -65.9 -46.4 77.1 -6.7 -8.2 99 103 H E H > S+ 0 0 21 1,-0.2 4,-2.4 2,-0.2 295,-0.2 0.889 108.4 54.9 -60.0 -39.1 77.4 -6.4 -4.4 100 104 H E H > S+ 0 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