==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=2-AUG-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER VIRAL PROTEIN 10-JUN-13 4BSC . COMPND 2 MOLECULE: HEMAGGLUTININ; . SOURCE 2 ORGANISM_SCIENTIFIC: INFLUENZA VIRUS A/ANHUI/1/2013 (H7N9); . AUTHOR X.XIONG,L.F.HAIRE,S.R.MARTIN,S.A.WHARTON,R.S.DANIELS,M.S.BEN . 486 2 6 5 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 23469.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 315 64.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 26 5.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 100 20.6 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 . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 5 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), 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 . 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 . 44 9.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 32 6.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 93 19.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 0.6 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 0 0 2 1 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 RESIDUES PER ALPHA HELIX . 2 3 2 1 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 . 6 5 7 0 2 3 0 0 1 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 . 3 3 1 2 0 0 1 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 1 A D 0 0 108 0, 0.0 456,-4.2 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 -30.3 40.1 -29.2 -68.9 2 2 A K E -AB 344 456A 86 342,-1.9 342,-3.1 454,-0.3 2,-0.4 -0.953 360.0-156.6-145.6 159.4 41.1 -29.5 -65.2 3 3 A I E -AB 343 455A 0 452,-2.1 452,-3.4 -2,-0.3 2,-0.4 -0.998 22.0-159.9-134.3 129.6 40.9 -31.3 -61.8 4 4 A a E -AB 342 454A 15 338,-2.3 338,-2.9 -2,-0.4 2,-0.3 -0.895 8.2-145.1-119.9 139.1 41.6 -29.6 -58.5 5 5 A L E +A 341 0A 2 448,-2.2 2,-0.3 -2,-0.4 336,-0.2 -0.726 32.4 146.2 -94.5 147.3 42.6 -30.8 -55.0 6 6 A G E -A 340 0A 0 334,-1.8 334,-1.7 -2,-0.3 2,-0.3 -0.903 32.1-126.4-158.6-169.8 41.4 -29.0 -51.9 7 7 A H E -A 339 0A 0 322,-0.3 324,-3.6 -2,-0.3 332,-0.2 -0.900 32.6 -87.5-144.2 170.1 40.4 -29.5 -48.3 8 8 A H B +e 331 0B 27 330,-2.3 306,-0.3 -2,-0.3 2,-0.3 -0.359 43.1 171.2 -83.3 162.1 37.5 -28.5 -46.0 9 9 A A - 0 0 6 322,-1.0 2,-0.3 325,-0.2 304,-0.1 -0.977 20.8-139.1-161.6 163.5 37.1 -25.3 -44.0 10 10 A L - 0 0 76 -2,-0.3 3,-0.1 1,-0.1 320,-0.1 -0.860 27.0-120.1-124.1 161.0 34.7 -23.2 -41.9 11 11 A S S S+ 0 0 88 -2,-0.3 2,-0.4 1,-0.2 -1,-0.1 0.965 106.3 29.7 -58.4 -54.3 34.0 -19.5 -41.7 12 12 A N S S- 0 0 126 -3,-0.1 -1,-0.2 15,-0.1 2,-0.1 -0.924 75.3-169.3-113.9 132.2 35.1 -19.6 -38.0 13 13 A G - 0 0 19 -2,-0.4 2,-0.5 -3,-0.1 14,-0.2 -0.338 29.6-100.0-101.3-173.1 37.6 -22.0 -36.5 14 14 A T E -F 26 0C 53 12,-2.5 12,-2.1 -2,-0.1 2,-0.2 -0.971 36.5-125.9-112.8 122.2 38.6 -22.8 -32.9 15 15 A K E +F 25 0C 134 -2,-0.5 2,-0.3 10,-0.2 10,-0.2 -0.442 38.1 163.5 -68.6 134.5 41.8 -21.1 -31.6 16 16 A V E -F 24 0C 5 8,-2.2 8,-2.0 -2,-0.2 2,-0.3 -0.915 31.6-112.7-140.8 170.2 44.5 -23.3 -30.2 17 17 A N - 0 0 45 289,-0.5 5,-0.2 -2,-0.3 2,-0.2 -0.776 27.6-179.8-108.9 150.9 48.2 -23.0 -29.4 18 18 A T - 0 0 14 3,-2.8 401,-0.2 -2,-0.3 400,-0.1 -0.636 47.1 -90.9-129.1-171.1 51.2 -24.6 -31.0 19 19 A L S S+ 0 0 105 399,-0.7 400,-0.1 -2,-0.2 399,-0.1 0.857 126.5 31.7 -69.5 -35.5 55.0 -24.6 -30.5 20 20 A T S S+ 0 0 107 398,-0.2 2,-0.3 1,-0.1 -1,-0.1 0.820 121.1 34.8 -92.8 -33.7 55.3 -21.8 -32.9 21 21 A E - 0 0 102 397,-0.1 -3,-2.8 3,-0.0 2,-0.5 -0.856 58.2-135.8-135.7 153.3 52.1 -19.8 -32.6 22 22 A R S S+ 0 0 199 -2,-0.3 -5,-0.2 -5,-0.2 -3,-0.0 -0.934 87.7 3.5-105.1 130.7 49.4 -18.5 -30.2 23 23 A G S S+ 0 0 27 -2,-0.5 2,-0.3 1,-0.2 -6,-0.2 0.852 72.5 169.9 69.1 37.7 45.7 -18.7 -31.3 24 24 A V E -F 16 0C 7 -8,-2.0 -8,-2.2 -3,-0.2 2,-0.4 -0.665 34.7-123.4 -74.4 135.1 46.0 -20.5 -34.7 25 25 A E E -F 15 0C 62 -2,-0.3 288,-2.4 -10,-0.2 2,-0.3 -0.674 32.1-177.5 -87.1 133.4 42.5 -21.5 -35.8 26 26 A V E -FG 14 312C 0 -12,-2.1 -12,-2.5 -2,-0.4 286,-0.2 -0.784 37.9-109.9-123.6 168.7 41.7 -25.1 -36.5 27 27 A V S S+ 0 0 19 284,-2.8 2,-0.3 -2,-0.3 285,-0.1 0.924 96.7 1.7 -68.8 -45.6 38.7 -27.0 -37.8 28 28 A N + 0 0 94 283,-0.2 281,-3.0 -14,-0.1 282,-0.7 -0.991 64.3 177.5-144.0 151.6 37.9 -28.7 -34.5 29 29 A A E -H 308 0D 18 -2,-0.3 2,-0.3 279,-0.3 279,-0.2 -0.994 11.5-151.3-152.0 153.7 39.3 -28.9 -31.0 30 30 A T E -H 307 0D 59 277,-2.3 277,-2.7 -2,-0.3 2,-0.3 -0.943 25.4-106.1-132.3 151.3 38.6 -30.5 -27.6 31 31 A E E -H 306 0D 35 -2,-0.3 275,-0.2 275,-0.2 273,-0.0 -0.537 21.8-176.0 -79.9 133.8 39.3 -29.6 -24.0 32 32 A T + 0 0 3 273,-1.4 253,-1.4 -2,-0.3 2,-0.5 0.436 66.7 75.2-103.1 -4.3 42.0 -31.4 -22.0 33 33 A V E S-i 285 0E 1 251,-0.1 2,-0.3 272,-0.1 253,-0.3 -0.943 76.3-136.0-115.9 118.2 41.3 -29.6 -18.6 34 34 A E E +i 286 0E 23 251,-3.2 253,-2.2 -2,-0.5 254,-0.2 -0.510 32.7 160.6 -72.5 128.2 38.3 -30.6 -16.5 35 35 A R + 0 0 95 -2,-0.3 2,-0.6 251,-0.2 -1,-0.1 0.454 42.9 103.6-118.3 -8.4 36.3 -27.7 -15.1 36 36 A T - 0 0 96 244,-0.1 244,-0.4 2,-0.0 2,-0.3 -0.686 49.8-169.3 -86.8 118.0 33.0 -29.4 -14.3 37 37 A N - 0 0 52 -2,-0.6 242,-0.2 242,-0.1 240,-0.1 -0.771 16.8-145.0 -95.2 145.7 32.3 -30.2 -10.7 38 38 A I B -K 278 0F 40 240,-2.1 240,-2.5 -2,-0.3 2,-1.5 -0.974 15.9-143.3-105.1 118.8 29.5 -32.4 -9.4 39 39 A P S S+ 0 0 70 0, 0.0 224,-0.4 0, 0.0 2,-0.3 -0.123 73.0 75.1 -80.7 44.7 28.5 -30.9 -6.1 40 40 A R S S- 0 0 95 -2,-1.5 2,-0.8 222,-0.1 238,-0.5 -0.957 87.5-108.7-141.7 157.3 27.8 -34.3 -4.5 41 41 A I E -o 264 0G 0 222,-3.2 224,-2.4 -2,-0.3 2,-0.9 -0.850 36.5-144.5 -86.4 109.8 29.9 -37.1 -3.1 42 42 A b E +o 265 0G 0 -2,-0.8 228,-0.7 222,-0.2 224,-0.2 -0.683 35.8 157.1 -83.7 106.5 29.4 -39.8 -5.8 43 43 A S B > +P 269 0H 7 222,-2.2 3,-2.4 -2,-0.9 223,-0.2 0.235 7.2 152.6-122.2 11.7 29.4 -43.1 -3.8 44 44 A K T 3 S+ 0 0 92 224,-1.8 226,-0.2 221,-0.7 223,-0.1 -0.199 78.3 8.4 -42.5 120.7 27.5 -45.5 -6.1 45 45 A G T 3 S+ 0 0 77 1,-0.2 2,-0.4 221,-0.1 -1,-0.3 0.458 106.0 113.2 85.8 3.3 28.7 -49.1 -5.3 46 46 A K S < S- 0 0 45 -3,-2.4 2,-0.7 29,-0.0 -1,-0.2 -0.919 72.8-121.3-115.0 131.7 30.8 -48.1 -2.3 47 47 A R - 0 0 138 -2,-0.4 28,-3.1 -3,-0.1 29,-2.4 -0.580 46.6-169.1 -64.4 109.9 30.4 -49.0 1.3 48 48 A T E -q 76 0I 45 -2,-0.7 2,-0.5 26,-0.2 29,-0.2 -0.881 22.5-168.9-116.6 138.5 30.1 -45.4 2.6 49 49 A V E -q 77 0I 18 27,-2.3 29,-2.7 -2,-0.4 2,-0.7 -0.967 5.5-164.2-128.0 110.8 30.2 -44.1 6.2 50 50 A D E -q 78 0I 63 -2,-0.5 29,-0.1 27,-0.2 4,-0.1 -0.878 4.8-161.7 -96.5 112.5 29.2 -40.5 6.7 51 51 A L > + 0 0 1 27,-2.3 3,-2.8 -2,-0.7 -1,-0.1 0.704 19.9 171.8 -71.2 -22.4 30.4 -39.5 10.1 52 52 A G T 3 S+ 0 0 17 26,-0.4 28,-0.5 1,-0.3 -1,-0.2 -0.255 75.7 0.7 50.2-120.1 28.2 -36.4 10.5 53 53 A Q T 3 S+ 0 0 142 30,-0.2 31,-1.5 12,-0.1 2,-0.5 0.611 115.6 94.3 -76.9 -11.7 28.6 -35.3 14.1 54 54 A c B < S-s 84 0J 1 -3,-2.8 26,-0.3 29,-0.2 2,-0.2 -0.684 71.1-139.4 -81.5 125.2 31.1 -38.0 15.0 55 55 A G >> - 0 0 7 29,-2.1 4,-0.7 -2,-0.5 3,-0.6 -0.603 22.2-117.9 -77.5 147.2 34.8 -37.1 14.7 56 56 A L T >4 S+ 0 0 0 1,-0.3 3,-1.2 -2,-0.2 4,-0.3 0.888 115.6 49.0 -53.0 -43.8 36.9 -39.9 13.2 57 57 A L T >> S+ 0 0 0 1,-0.3 3,-1.4 2,-0.2 4,-0.8 0.774 99.4 68.4 -72.8 -25.0 39.0 -40.2 16.3 58 58 A G H <> S+ 0 0 0 -3,-0.6 4,-2.8 1,-0.2 -1,-0.3 0.738 85.2 70.3 -60.0 -24.0 35.8 -40.4 18.4 59 59 A T H << S+ 0 0 0 -3,-1.2 -1,-0.2 -4,-0.7 -2,-0.2 0.729 99.9 48.1 -66.6 -21.5 35.2 -43.8 16.8 60 60 A I H <4 S+ 0 0 7 -3,-1.4 -1,-0.2 -4,-0.3 -2,-0.2 0.779 124.3 26.8 -86.5 -31.6 38.1 -45.1 18.8 61 61 A T H < S- 0 0 0 -4,-0.8 78,-2.4 24,-0.2 79,-0.4 0.764 100.2-132.6-106.1 -37.6 37.1 -43.7 22.3 62 62 A G < - 0 0 0 -4,-2.8 76,-3.2 76,-0.2 78,-0.1 0.962 26.6-177.3 89.3 61.0 33.3 -43.4 21.9 63 63 A P > - 0 0 0 0, 0.0 3,-2.9 0, 0.0 4,-0.1 -0.465 51.1 -92.4 -74.9 163.6 31.6 -40.2 22.9 64 64 A P G > S+ 0 0 29 0, 0.0 3,-1.8 0, 0.0 4,-0.3 0.808 126.1 56.7 -52.1 -40.6 27.8 -40.3 22.6 65 65 A Q G 3 S+ 0 0 58 1,-0.3 -11,-0.2 2,-0.1 3,-0.2 0.618 108.2 50.2 -65.7 -14.7 27.7 -38.9 19.0 66 66 A c G X S+ 0 0 0 -3,-2.9 3,-1.4 -8,-0.1 -1,-0.3 0.177 76.6 106.7-105.7 16.3 30.1 -41.8 17.9 67 67 A D G X S+ 0 0 49 -3,-1.8 3,-0.7 1,-0.3 -2,-0.1 0.857 81.6 47.5 -65.1 -36.4 28.0 -44.6 19.5 68 68 A Q G 3 S+ 0 0 174 -4,-0.3 -1,-0.3 1,-0.2 3,-0.1 0.395 111.4 54.8 -84.5 4.2 26.7 -45.9 16.1 69 69 A F G X + 0 0 43 -3,-1.4 3,-0.8 1,-0.1 -1,-0.2 0.203 68.9 108.1-119.6 15.0 30.3 -45.7 14.8 70 70 A L T < S+ 0 0 24 -3,-0.7 -1,-0.1 1,-0.2 -2,-0.1 0.763 97.5 16.3 -71.5 -24.2 32.3 -47.9 17.2 71 71 A E T 3 S+ 0 0 76 -3,-0.1 -1,-0.2 38,-0.1 -2,-0.1 -0.121 89.9 159.0-138.6 40.4 32.8 -50.8 14.8 72 72 A F < - 0 0 18 -3,-0.8 36,-1.1 -13,-0.1 2,-0.3 0.006 26.1-150.9 -65.9 171.7 32.0 -49.4 11.4 73 73 A S B +T 107 0K 55 34,-0.2 2,-0.3 -25,-0.1 34,-0.3 -0.991 25.2 153.4-147.4 137.5 33.1 -50.8 8.1 74 74 A A - 0 0 0 32,-1.4 -26,-0.2 -2,-0.3 3,-0.1 -0.995 48.6-156.3-166.0 149.6 33.7 -48.9 4.8 75 75 A D S S+ 0 0 53 -28,-3.1 181,-2.4 -2,-0.3 2,-0.4 0.624 101.5 34.2 -91.8 -29.2 35.4 -48.3 1.5 76 76 A L E -qr 48 256I 2 -29,-2.4 -27,-2.3 179,-0.2 2,-0.5 -0.988 69.1-166.6-135.4 124.2 34.8 -44.6 1.8 77 77 A I E -qr 49 257I 0 179,-2.7 181,-2.9 -2,-0.4 2,-0.6 -0.949 6.9-159.5-114.9 128.6 34.8 -42.5 5.0 78 78 A I E -qr 50 258I 0 -29,-2.7 -27,-2.3 -2,-0.5 -26,-0.4 -0.922 1.0-162.3-115.6 113.8 33.5 -38.9 5.1 79 79 A E E - r 0 259I 15 179,-2.8 181,-1.8 -2,-0.6 2,-0.3 -0.704 12.3-155.5 -86.9 143.2 34.5 -36.4 7.8 80 80 A R > - 0 0 23 -28,-0.5 3,-1.7 -26,-0.3 181,-0.1 -0.864 26.5-118.1-120.0 154.4 32.2 -33.4 8.3 81 81 A R T 3 S+ 0 0 167 -2,-0.3 -1,-0.1 179,-0.3 180,-0.1 0.884 114.2 57.3 -55.7 -40.3 33.0 -29.9 9.7 82 82 A E T 3 S+ 0 0 115 2,-0.0 -1,-0.3 -28,-0.0 -27,-0.1 0.556 83.4 119.2 -70.5 -8.5 30.4 -30.4 12.5 83 83 A G < - 0 0 26 -3,-1.7 2,-0.4 -29,-0.2 -29,-0.2 -0.204 44.3-167.6 -57.7 147.2 32.3 -33.6 13.6 84 84 A S B -s 54 0J 49 -31,-1.5 -29,-2.1 1,-0.1 -19,-0.1 -0.984 19.1-159.3-142.1 131.3 33.8 -33.7 17.1 85 85 A D S S+ 0 0 25 -2,-0.4 2,-0.3 -31,-0.2 -24,-0.2 0.566 75.3 46.5 -79.6 -14.3 36.2 -36.3 18.5 86 86 A V - 0 0 22 1,-0.2 -21,-0.1 4,-0.1 -28,-0.1 -0.859 40.9-175.5-133.5 157.8 35.4 -35.6 22.2 87 87 A d S S+ 0 0 7 1,-0.4 -1,-0.2 -2,-0.3 3,-0.1 0.603 91.1 51.4-107.6 -64.0 32.6 -35.1 24.7 88 88 A Y S S- 0 0 15 1,-0.1 -1,-0.4 38,-0.0 133,-0.2 -0.631 113.6 -96.4 -73.5 123.4 34.7 -34.3 27.7 89 89 A P S S+ 0 0 3 0, 0.0 132,-1.3 0, 0.0 2,-0.3 -0.050 78.6 96.7 -51.8 134.5 37.0 -31.4 26.5 90 90 A G E -u 221 0L 24 130,-0.3 2,-0.3 -3,-0.1 132,-0.2 -0.966 51.4-128.0 171.1-177.3 40.4 -32.7 25.3 91 91 A K E -u 222 0L 128 130,-1.2 132,-2.5 -2,-0.3 2,-0.4 -0.951 23.2-100.4-150.9 171.7 42.5 -33.7 22.3 92 92 A F E > -u 223 0L 5 -2,-0.3 3,-0.7 130,-0.2 2,-0.3 -0.823 28.1-128.1 -95.7 135.7 44.7 -36.5 21.0 93 93 A V T 3 S+ 0 0 56 130,-3.0 132,-0.2 -2,-0.4 129,-0.0 -0.670 100.7 13.9 -72.7 134.9 48.5 -36.3 21.0 94 94 A N T 3> S+ 0 0 109 -2,-0.3 4,-1.4 130,-0.1 -1,-0.3 0.931 86.0 165.1 63.7 47.5 49.7 -37.0 17.4 95 95 A E H <> + 0 0 32 -3,-0.7 4,-2.0 1,-0.2 5,-0.1 0.916 61.7 50.5 -68.2 -45.7 46.1 -36.5 16.1 96 96 A E H > S+ 0 0 25 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.873 107.2 53.8 -67.6 -39.6 46.7 -36.2 12.4 97 97 A A H > S+ 0 0 35 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.925 109.7 49.4 -53.5 -48.6 48.8 -39.3 12.0 98 98 A L H X S+ 0 0 0 -4,-1.4 4,-2.6 1,-0.2 -2,-0.2 0.891 108.3 53.6 -60.4 -39.2 46.0 -41.3 13.7 99 99 A R H X S+ 0 0 6 -4,-2.0 4,-2.9 1,-0.2 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