==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER VIRAL PROTEIN 12-MAR-10 3M5G . COMPND 2 MOLECULE: HEMAGGLUTININ; . SOURCE 2 ORGANISM_SCIENTIFIC: INFLUENZA A VIRUS; . AUTHOR H.YANG,L.M.CHEN,P.J.CARNEY,R.O.DONIS,J.STEVENS . 1446 6 18 15 3 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 56455.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 931 64.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 84 5.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 285 19.7 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 . 16 1.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 4 0.3 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 . 117 8.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 87 6.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 285 19.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 11 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 0 2 4 5 0 1 0 0 0 0 0 0 3 0 0 0 0 0 0 0 0 0 0 0 3 RESIDUES PER ALPHA HELIX . 15 9 3 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 PARALLEL BRIDGES PER LADDER . 13 16 18 4 5 8 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 9 3 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 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 10 A G 0 0 116 0, 0.0 2,-0.2 0, 0.0 451,-0.1 0.000 360.0 360.0 360.0-110.8 -13.2 2.4 -20.6 2 11 A D + 0 0 22 449,-0.4 449,-2.1 451,-0.2 2,-0.3 -0.536 360.0 176.1 -84.3 146.3 -14.1 -0.3 -18.0 3 12 A K E -AB 338 450A 74 335,-2.1 335,-2.5 447,-0.2 2,-0.4 -0.993 20.5-151.6-148.8 154.5 -13.5 0.2 -14.3 4 13 A I E -AB 337 449A 0 445,-2.3 445,-3.1 -2,-0.3 2,-0.4 -0.996 14.9-161.1-128.5 131.0 -14.1 -1.6 -11.0 5 14 A a E -AB 336 448A 15 331,-3.4 331,-2.8 -2,-0.4 2,-0.4 -0.897 8.2-145.1-115.4 140.8 -14.4 0.2 -7.6 6 15 A L E +A 335 0A 3 441,-2.7 2,-0.3 -2,-0.4 329,-0.2 -0.847 34.3 145.7-101.9 140.8 -14.1 -1.1 -4.1 7 16 A G E -A 334 0A 0 327,-2.2 327,-2.9 -2,-0.4 2,-0.3 -0.918 34.4-121.4-159.0-177.6 -16.3 0.3 -1.3 8 17 A H E -A 333 0A 0 315,-0.4 317,-3.3 -2,-0.3 325,-0.3 -0.821 33.1 -91.5-133.4 168.1 -18.2 -0.2 1.9 9 18 A H B -e 325 0B 25 323,-1.9 298,-0.3 -2,-0.3 2,-0.3 -0.345 36.8-179.7 -81.2 160.9 -21.7 0.1 3.2 10 19 A A - 0 0 6 315,-1.0 2,-0.3 318,-0.2 318,-0.1 -0.963 14.9-140.8-150.2 164.4 -23.3 3.1 4.9 11 20 A V - 0 0 53 -2,-0.3 3,-0.2 1,-0.1 313,-0.1 -0.884 27.5-113.3-125.9 161.2 -26.7 4.2 6.4 12 21 A A S S+ 0 0 78 -2,-0.3 2,-0.5 1,-0.3 -1,-0.1 0.976 105.4 13.1 -55.8 -63.0 -28.7 7.4 6.3 13 22 A N S S- 0 0 135 -3,-0.1 -1,-0.3 15,-0.1 2,-0.1 -0.979 77.2-174.2-119.8 125.0 -28.3 8.1 10.0 14 23 A G - 0 0 8 -2,-0.5 2,-0.4 -3,-0.2 14,-0.2 -0.121 30.9 -85.8 -95.4-162.8 -25.8 6.2 12.2 15 24 A T E -F 27 0C 45 12,-2.5 12,-2.6 -2,-0.1 2,-0.3 -0.925 31.4-124.4-114.9 135.9 -25.1 6.2 15.9 16 25 A K E +F 26 0C 121 -2,-0.4 2,-0.3 10,-0.2 10,-0.2 -0.606 38.3 168.9 -72.8 129.8 -22.8 8.5 17.8 17 26 A V E -F 25 0C 3 8,-2.9 8,-1.9 -2,-0.3 2,-0.4 -0.909 29.1-117.6-133.9 167.2 -20.1 6.7 19.8 18 27 A N + 0 0 45 281,-0.5 397,-0.2 -2,-0.3 5,-0.2 -0.857 27.4 179.4-108.9 143.8 -17.0 7.8 21.7 19 28 A T - 0 0 3 3,-3.0 394,-0.2 -2,-0.4 393,-0.2 -0.647 47.4 -90.6-124.0-175.7 -13.4 6.8 20.9 20 29 A L S S+ 0 0 2 392,-0.7 1313,-0.2 -2,-0.2 393,-0.1 0.782 126.0 26.1 -66.3 -27.9 -10.0 7.6 22.5 21 30 A T S S+ 0 0 8 1,-0.2 2,-0.4 391,-0.2 1308,-0.2 0.538 121.8 46.0-115.3 -13.3 -9.6 10.6 20.1 22 31 A E - 0 0 83 1307,-0.1 -3,-3.0 390,-0.1 2,-0.5 -0.994 58.8-148.5-143.9 134.3 -13.1 11.7 19.2 23 32 A R S S+ 0 0 191 -2,-0.4 -5,-0.2 -5,-0.2 -3,-0.0 -0.863 85.0 6.5 -98.3 129.8 -16.4 12.3 21.0 24 33 A G S S+ 0 0 30 -2,-0.5 -6,-0.2 -7,-0.3 2,-0.2 0.826 78.3 166.7 71.1 35.0 -19.6 11.6 19.1 25 34 A I E -F 17 0C 11 -8,-1.9 -8,-2.9 -3,-0.4 2,-0.5 -0.564 35.9-117.4 -75.3 146.1 -18.2 10.0 16.0 26 35 A E E +F 16 0C 42 -10,-0.2 280,-2.5 -2,-0.2 2,-0.3 -0.753 33.5 178.9 -97.4 129.1 -20.8 8.2 13.8 27 36 A V E -FG 15 305C 0 -12,-2.6 -12,-2.5 -2,-0.5 278,-0.2 -0.820 40.1-111.3-121.6 163.1 -20.8 4.5 13.1 28 37 A V S S- 0 0 22 276,-2.8 2,-0.3 -2,-0.3 277,-0.1 0.900 97.1 -2.1 -61.8 -44.0 -23.1 2.1 11.2 29 38 A N - 0 0 95 275,-0.3 273,-3.2 -14,-0.1 274,-0.8 -0.996 63.9-177.7-150.4 147.6 -24.3 0.3 14.3 30 39 A A E -H 301 0D 14 -2,-0.3 2,-0.4 271,-0.3 271,-0.2 -0.923 13.1-143.7-138.7 163.6 -23.7 0.4 18.1 31 40 A T E -H 300 0D 56 269,-2.8 269,-3.3 -2,-0.3 2,-0.2 -0.991 24.4-110.6-134.4 143.4 -24.9 -1.5 21.2 32 41 A E E -H 299 0D 55 -2,-0.4 267,-0.2 267,-0.2 3,-0.1 -0.473 24.8-178.3 -72.1 135.3 -25.6 -0.3 24.7 33 42 A T + 0 0 0 265,-1.2 245,-1.6 -2,-0.2 2,-0.5 0.511 65.0 71.0-108.8 -11.5 -23.2 -1.5 27.4 34 43 A V E S-i 278 0E 1 264,-0.2 2,-0.3 243,-0.1 245,-0.3 -0.942 76.4-136.3-115.0 121.8 -24.9 0.1 30.4 35 44 A E E +i 279 0E 26 243,-3.0 245,-2.5 -2,-0.5 246,-0.3 -0.597 34.0 158.0 -79.8 130.1 -28.3 -1.2 31.7 36 45 A T + 0 0 77 -2,-0.3 2,-0.6 243,-0.2 -1,-0.1 0.451 42.5 103.7-125.3 -10.6 -30.9 1.4 32.6 37 46 A T - 0 0 99 236,-0.1 236,-0.4 2,-0.0 2,-0.4 -0.685 51.4-170.5 -82.9 116.8 -34.1 -0.7 32.4 38 47 A N - 0 0 49 -2,-0.6 2,-0.6 234,-0.1 234,-0.2 -0.845 20.1-142.4-107.1 141.8 -35.5 -1.7 35.8 39 48 A I B -K 271 0F 56 232,-2.2 232,-2.2 -2,-0.4 2,-1.3 -0.930 14.5-144.1 -97.6 122.6 -38.2 -4.1 36.7 40 49 A K S S+ 0 0 168 -2,-0.6 2,-0.3 230,-0.2 230,-0.2 -0.119 74.7 75.6 -79.9 41.5 -40.2 -2.6 39.6 41 50 A K S S- 0 0 83 -2,-1.3 2,-0.8 214,-0.2 230,-0.3 -0.966 85.6-111.4-147.6 155.3 -40.7 -6.2 41.0 42 51 A I E -o 257 0G 0 214,-2.9 216,-3.0 -2,-0.3 2,-0.7 -0.864 36.0-143.6 -90.7 107.0 -38.8 -9.0 42.8 43 52 A b E +o 258 0G 0 -2,-0.8 220,-0.4 214,-0.2 216,-0.2 -0.645 28.0 170.2 -77.7 112.3 -38.5 -11.7 40.1 44 53 A T > + 0 0 9 214,-2.8 3,-1.2 -2,-0.7 2,-0.3 0.076 22.8 133.5-117.1 19.9 -38.9 -15.0 42.0 45 54 A Q T 3 S+ 0 0 72 216,-2.0 218,-0.4 213,-0.4 3,-0.1 -0.563 79.2 14.6 -74.0 135.3 -39.3 -17.5 39.1 46 55 A G T 3 S+ 0 0 62 1,-0.3 2,-0.3 -2,-0.3 -1,-0.2 0.439 116.3 94.4 79.2 1.2 -37.1 -20.6 39.7 47 56 A K S < S- 0 0 43 -3,-1.2 -1,-0.3 212,-0.0 -3,-0.1 -0.830 75.7-129.0-122.8 158.6 -36.6 -19.5 43.3 48 57 A R - 0 0 124 -2,-0.3 28,-1.4 -3,-0.1 29,-1.1 -0.868 39.4-164.5-104.7 94.0 -38.2 -20.3 46.6 49 58 A P E -p 77 0H 52 0, 0.0 2,-0.4 0, 0.0 29,-0.2 -0.460 16.3-157.9 -83.8 152.0 -38.9 -16.8 48.0 50 59 A T E -p 78 0H 15 27,-2.7 29,-2.8 -2,-0.1 2,-0.8 -0.917 3.3-162.9-127.3 106.6 -39.7 -15.7 51.5 51 60 A D E -p 79 0H 58 -2,-0.4 29,-0.1 27,-0.2 27,-0.1 -0.802 3.2-167.7 -84.3 110.6 -41.5 -12.4 51.9 52 61 A L > + 0 0 2 27,-2.4 3,-2.4 -2,-0.8 -1,-0.1 0.703 18.4 171.4 -76.6 -21.8 -41.0 -11.5 55.6 53 62 A G T 3 S+ 0 0 18 26,-0.3 28,-0.4 1,-0.3 -1,-0.2 -0.253 71.1 3.5 53.9-115.9 -43.6 -8.7 55.6 54 63 A Q T 3 S+ 0 0 145 30,-0.2 31,-1.5 12,-0.1 2,-0.4 0.584 116.0 91.3 -78.3 -11.5 -44.2 -7.4 59.1 55 64 A c B < S-r 85 0I 2 -3,-2.4 26,-0.3 29,-0.3 2,-0.2 -0.730 72.3-135.4 -91.4 130.5 -41.6 -9.8 60.6 56 65 A G >> - 0 0 8 29,-2.9 4,-0.9 -2,-0.4 3,-0.5 -0.544 21.3-118.5 -79.5 149.6 -38.0 -8.6 61.0 57 66 A L T >4 S+ 0 0 0 1,-0.3 3,-0.6 2,-0.2 4,-0.2 0.864 116.9 46.6 -56.8 -40.1 -35.2 -11.0 60.0 58 67 A L T >> S+ 0 0 0 1,-0.2 3,-1.3 2,-0.2 4,-0.8 0.731 100.2 70.3 -75.3 -22.1 -33.8 -11.1 63.5 59 68 A G H <> S+ 0 0 0 -3,-0.5 4,-3.2 1,-0.3 3,-0.4 0.818 84.4 68.5 -60.8 -32.8 -37.4 -11.7 64.8 60 69 A T H << S+ 0 0 0 -4,-0.9 -1,-0.3 -3,-0.6 -2,-0.2 0.698 100.0 51.3 -60.3 -19.9 -37.4 -15.2 63.3 61 70 A L H <4 S+ 0 0 1 -3,-1.3 -1,-0.2 -4,-0.2 -2,-0.2 0.823 121.9 25.7 -87.5 -37.1 -34.8 -16.1 65.9 62 71 A I H < S- 0 0 0 -4,-0.8 78,-2.4 -3,-0.4 79,-0.4 0.721 101.5-129.8-103.0 -28.9 -36.5 -14.9 69.1 63 72 A G < - 0 0 0 -4,-3.2 76,-2.9 76,-0.2 78,-0.1 0.975 27.8-176.1 81.9 61.8 -40.1 -15.1 67.9 64 73 A P > - 0 0 0 0, 0.0 3,-2.6 0, 0.0 4,-0.2 -0.456 48.7 -95.1 -73.1 162.4 -42.3 -12.0 68.5 65 74 A P G > S+ 0 0 40 0, 0.0 3,-1.2 0, 0.0 4,-0.2 0.778 125.1 58.9 -51.7 -33.7 -46.0 -12.5 67.5 66 75 A Q G 3 S+ 0 0 50 1,-0.2 3,-0.2 -12,-0.1 -11,-0.2 0.614 105.7 50.7 -71.7 -12.5 -45.4 -10.9 64.0 67 76 A c G X S+ 0 0 0 -3,-2.6 3,-2.1 1,-0.1 4,-0.4 0.249 71.9 111.7-109.5 10.6 -42.8 -13.7 63.3 68 77 A D G X S+ 0 0 67 -3,-1.2 3,-0.7 1,-0.3 4,-0.2 0.839 80.1 50.1 -50.2 -39.0 -45.0 -16.7 64.3 69 78 A Q G 3 S+ 0 0 170 1,-0.2 -1,-0.3 -3,-0.2 -2,-0.1 0.421 113.0 46.5 -83.9 0.3 -45.1 -17.8 60.6 70 79 A F G < + 0 0 30 -3,-2.1 -1,-0.2 1,-0.1 -2,-0.2 0.211 68.6 110.8-128.6 13.4 -41.3 -17.6 60.1 71 80 A L S < S+ 0 0 30 -3,-0.7 2,-0.4 -4,-0.4 -2,-0.1 0.838 97.8 20.6 -58.1 -34.5 -39.8 -19.3 63.2 72 81 A E S S+ 0 0 93 -4,-0.2 2,-0.3 38,-0.1 -1,-0.3 -0.990 85.3 151.1-134.7 127.9 -38.7 -22.0 60.8 73 82 A F E -S 109 0J 17 36,-1.5 36,-1.2 -2,-0.4 2,-0.4 -0.990 30.2-148.7-153.8 157.5 -38.4 -21.4 57.1 74 83 A S E +S 108 0J 62 -2,-0.3 2,-0.3 34,-0.2 34,-0.2 -0.995 34.4 134.4-133.2 126.0 -36.5 -22.4 54.0 75 84 A S - 0 0 0 32,-1.9 3,-0.1 -2,-0.4 170,-0.1 -0.987 47.8-147.7-162.6 158.5 -35.6 -20.1 51.0 76 85 A D S S+ 0 0 46 -28,-1.4 173,-2.2 -2,-0.3 2,-0.3 0.388 96.7 49.2-105.4 -2.5 -33.0 -19.0 48.6 77 86 A L E -pq 49 249H 0 -29,-1.1 -27,-2.7 171,-0.2 2,-0.6 -0.819 67.8-169.6-143.1 98.7 -34.4 -15.5 48.4 78 87 A I E -pq 50 250H 0 171,-3.4 173,-3.3 26,-0.3 2,-0.6 -0.793 7.8-160.3 -93.9 117.2 -35.2 -13.6 51.6 79 88 A I E -pq 51 251H 0 -29,-2.8 -27,-2.4 -2,-0.6 2,-0.3 -0.874 3.5-160.4-102.3 119.4 -37.1 -10.4 51.1 80 89 A E E - q 0 252H 13 171,-3.7 173,-2.3 -2,-0.6 2,-0.3 -0.774 6.7-153.2 -95.8 142.9 -37.1 -7.8 53.9 81 90 A R > - 0 0 22 -28,-0.4 3,-1.7 -2,-0.3 173,-0.1 -0.851 24.6-120.5-116.8 152.5 -39.7 -5.0 54.2 82 91 A R T 3 S+ 0 0 136 -2,-0.3 -1,-0.1 1,-0.3 172,-0.1 0.826 113.4 55.0 -56.6 -35.8 -39.6 -1.6 55.7 83 92 A E T 3 S+ 0 0 108 -30,-0.0 -1,-0.3 2,-0.0 -27,-0.1 0.490 82.2 121.5 -79.5 -3.3 -42.4 -2.4 58.1 84 93 A G < - 0 0 23 -3,-1.7 2,-0.4 -29,-0.2 -29,-0.3 -0.344 43.1-167.9 -64.3 139.8 -40.6 -5.5 59.5 85 94 A T B -r 55 0I 60 -31,-1.5 -29,-2.9 -29,-0.1 -26,-0.1 -0.975 22.4-162.4-134.7 140.9 -39.8 -5.5 63.2 86 95 A D S S+ 0 0 22 -2,-0.4 2,-0.2 -31,-0.2 -24,-0.2 0.670 71.9 42.4 -90.3 -22.4 -37.6 -7.7 65.3 87 96 A I - 0 0 48 1,-0.1 -21,-0.1 -24,-0.1 -28,-0.1 -0.764 38.1-174.3-129.5 162.1 -39.1 -7.0 68.8 88 97 A d S S+ 0 0 24 1,-0.3 -1,-0.1 -2,-0.2 3,-0.1 0.577 87.2 52.5-112.7 -59.0 -42.2 -6.5 70.9 89 98 A Y S S- 0 0 17 1,-0.1 -1,-0.3 38,-0.1 125,-0.1 -0.515 108.3 -92.1 -70.4 142.7 -40.6 -5.5 74.2 90 99 A P S S+ 0 0 26 0, 0.0 124,-2.4 0, 0.0 2,-0.2 -0.295 76.4 101.6 -58.3 142.8 -38.2 -2.6 73.8 91 100 A G - 0 0 18 122,-0.2 2,-0.3 -3,-0.1 124,-0.2 -0.816 52.9-113.7 156.7 165.5 -34.5 -3.7 73.2 92 101 A R - 0 0 93 -2,-0.2 124,-2.4 -6,-0.0 2,-0.5 -0.866 16.5-125.1-125.7 155.8 -31.7 -4.2 70.8 93 102 A F B > -t 216 0J 8 -2,-0.3 3,-1.1 122,-0.2 2,-0.3 -0.886 30.7-129.7 -91.7 126.4 -29.6 -7.0 69.3 94 103 A T T 3 S+ 0 0 50 122,-2.4 124,-0.1 -2,-0.5 5,-0.1 -0.630 96.1 11.6 -74.9 137.7 -25.9 -6.5 69.7 95 104 A N T 3> S+ 0 0 89 -2,-0.3 4,-2.2 3,-0.1 3,-0.5 0.822 84.8 163.0 60.3 36.3 -24.1 -6.9 66.4 96 105 A E H <> + 0 0 56 -3,-1.1 4,-1.8 1,-0.2 -2,-0.1 0.809 67.7 49.0 -56.3 -37.0 -27.5 -6.8 64.7 97 106 A E H > S+ 0 0 7 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.823 109.2 51.4 -76.8 -33.2 -26.2 -6.0 61.2 98 107 A S H > S+ 0 0 2 -3,-0.5 4,-1.8 2,-0.2 -2,-0.2 0.900 111.5 49.1 -64.2 -42.7 -23.6 -8.8 61.3 99 108 A L H X S+ 0 0 0 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.863 109.3 51.8 -65.7 -38.4 -26.3 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