==== 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 4BSF . COMPND 2 MOLECULE: HAEMAGGLUTININ HA1; . 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) . 23801.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 312 64.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 28 5.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 94 19.3 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 . 42 8.6 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 . 95 19.5 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 1 2 1 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 1 RESIDUES PER ALPHA HELIX . 3 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 6 4 2 2 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 ANTIPARALLEL BRIDGES PER LADDER . 3 3 1 2 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 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 0 123 0, 0.0 456,-2.5 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 -16.6 40.1 -29.1 -68.9 2 2 A K E -AB 344 456A 81 342,-1.9 342,-2.2 454,-0.3 2,-0.3 -0.986 360.0-151.7-155.0 159.9 41.1 -29.5 -65.2 3 3 A I E -AB 343 455A 0 452,-2.0 452,-1.9 -2,-0.3 2,-0.2 -0.907 22.6-161.0-136.8 111.2 40.9 -31.2 -61.7 4 4 A a E -AB 342 454A 25 338,-1.8 338,-1.7 -2,-0.3 2,-0.3 -0.607 5.1-147.4 -90.4 149.0 41.6 -29.2 -58.6 5 5 A L E +A 341 0A 6 448,-2.6 2,-0.3 -2,-0.2 336,-0.2 -0.879 29.1 148.0-111.3 148.3 42.5 -30.6 -55.2 6 6 A G E -A 340 0A 0 334,-1.7 334,-1.7 -2,-0.3 2,-0.3 -0.901 33.3-120.4-160.4-174.1 41.5 -29.0 -51.9 7 7 A H E -A 339 0A 0 322,-0.3 324,-4.2 -2,-0.3 332,-0.2 -0.869 35.6 -89.1-137.5 167.3 40.6 -29.5 -48.3 8 8 A H B -e 331 0B 23 330,-2.2 306,-0.3 -2,-0.3 2,-0.3 -0.206 39.1-179.4 -78.5 168.5 37.6 -28.7 -46.1 9 9 A A - 0 0 9 322,-1.1 2,-0.3 325,-0.3 304,-0.1 -0.966 13.8-140.6-159.1 168.7 37.0 -25.5 -44.0 10 10 A V - 0 0 49 -2,-0.3 3,-0.2 1,-0.1 320,-0.1 -0.966 19.7-134.3-138.8 149.7 34.5 -23.9 -41.7 11 11 A S S S+ 0 0 98 -2,-0.3 2,-0.7 1,-0.2 -1,-0.1 0.913 104.5 46.5 -64.3 -46.1 33.1 -20.4 -41.1 12 12 A N S S+ 0 0 135 -3,-0.1 -1,-0.2 15,-0.0 2,-0.2 -0.859 76.8 178.5-104.3 100.1 33.6 -20.9 -37.3 13 13 A G - 0 0 13 -2,-0.7 2,-0.5 -3,-0.2 14,-0.2 -0.628 27.4-121.7 -93.9 158.1 37.1 -22.3 -36.4 14 14 A T E -F 26 0C 51 12,-1.7 12,-2.5 -2,-0.2 2,-0.2 -0.894 25.3-130.7-100.3 127.1 38.4 -23.0 -32.9 15 15 A K E +F 25 0C 141 -2,-0.5 2,-0.3 10,-0.2 10,-0.2 -0.542 32.7 170.9 -77.0 137.2 41.6 -21.2 -31.9 16 16 A V E -F 24 0C 5 8,-2.5 8,-2.1 -2,-0.2 7,-0.5 -0.882 28.9-113.7-137.7 171.0 44.5 -23.2 -30.4 17 17 A N E +F 22 0C 47 289,-0.5 5,-0.2 -2,-0.3 404,-0.2 -0.847 29.5 179.4-109.1 144.6 48.2 -22.9 -29.4 18 18 A T - 0 0 13 3,-2.4 401,-0.2 -2,-0.3 400,-0.2 -0.521 48.2 -89.8-123.9-169.3 51.2 -24.6 -31.0 19 19 A L S S+ 0 0 107 399,-0.7 400,-0.1 -2,-0.2 399,-0.1 0.823 128.5 29.9 -69.4 -33.2 54.9 -24.6 -30.5 20 20 A T S S+ 0 0 97 398,-0.2 2,-0.2 1,-0.0 -1,-0.1 0.766 122.0 35.2 -99.2 -32.4 55.2 -21.8 -33.0 21 21 A E - 0 0 92 397,-0.1 -3,-2.4 3,-0.0 2,-0.4 -0.741 55.8-140.5-125.5 165.8 51.9 -19.8 -32.6 22 22 A R E S+F 17 0C 208 -2,-0.2 -5,-0.2 -5,-0.2 -3,-0.0 -1.000 88.9 6.8-120.4 129.3 49.2 -18.6 -30.3 23 23 A G E S+ 0 0 36 -7,-0.5 2,-0.4 -2,-0.4 -6,-0.2 0.836 74.2 167.1 72.9 34.9 45.6 -18.7 -31.5 24 24 A V E -F 16 0C 7 -8,-2.1 -8,-2.5 -3,-0.1 2,-0.4 -0.678 37.6-121.6 -74.7 132.8 46.0 -20.5 -34.8 25 25 A E E -F 15 0C 73 -2,-0.4 288,-2.1 -10,-0.2 -10,-0.2 -0.672 34.4-179.5 -84.5 130.0 42.6 -21.5 -36.0 26 26 A V E -FG 14 312C 0 -12,-2.5 -12,-1.7 -2,-0.4 286,-0.3 -0.717 38.8-107.5-119.8 171.8 41.9 -25.2 -36.7 27 27 A V S S- 0 0 21 284,-3.0 2,-0.3 1,-0.3 -13,-0.1 0.967 94.5 -7.4 -66.0 -54.7 38.9 -27.1 -37.9 28 28 A N - 0 0 90 283,-0.2 281,-3.3 -15,-0.1 282,-0.5 -0.998 62.6-177.5-146.9 148.2 38.0 -28.6 -34.6 29 29 A A E -H 308 0D 16 -2,-0.3 2,-0.4 279,-0.3 279,-0.2 -0.922 11.8-147.5-138.5 162.8 39.4 -29.0 -31.1 30 30 A T E -H 307 0D 60 277,-2.2 277,-2.2 -2,-0.3 -2,-0.0 -0.999 25.8-108.2-136.4 142.9 38.6 -30.6 -27.8 31 31 A E E -H 306 0D 32 -2,-0.4 275,-0.2 275,-0.2 3,-0.1 -0.265 22.6-175.6 -64.8 147.2 39.3 -29.6 -24.1 32 32 A T + 0 0 6 273,-0.8 253,-1.5 1,-0.1 2,-0.6 0.448 64.9 76.3-118.9 -9.2 41.9 -31.4 -22.0 33 33 A V E S-i 285 0E 1 272,-0.1 2,-0.3 251,-0.1 253,-0.3 -0.928 76.5-136.6-106.6 121.4 41.4 -29.6 -18.7 34 34 A E E +i 286 0E 25 251,-2.6 253,-2.5 -2,-0.6 254,-0.2 -0.573 33.2 161.2 -77.8 130.4 38.3 -30.6 -16.7 35 35 A R + 0 0 97 -2,-0.3 2,-0.5 251,-0.2 -1,-0.1 0.516 42.7 104.4-117.8 -17.2 36.3 -27.8 -15.1 36 36 A T - 0 0 93 244,-0.1 244,-0.4 2,-0.0 2,-0.4 -0.585 48.6-171.1 -79.4 119.4 33.0 -29.6 -14.4 37 37 A N - 0 0 46 -2,-0.5 242,-0.2 242,-0.1 240,-0.0 -0.839 20.7-142.2-102.0 141.4 32.3 -30.6 -10.8 38 38 A I B -K 278 0F 42 240,-2.4 240,-2.6 -2,-0.4 2,-1.3 -0.947 20.3-141.6 -93.5 122.3 29.4 -32.7 -9.6 39 39 A P S S+ 0 0 74 0, 0.0 224,-0.4 0, 0.0 2,-0.3 -0.178 73.6 70.9 -83.2 47.2 28.5 -31.0 -6.3 40 40 A R S S- 0 0 82 -2,-1.3 2,-0.9 222,-0.2 224,-0.2 -0.965 91.0-101.9-152.8 153.3 27.8 -34.4 -4.5 41 41 A I E -o 264 0G 0 222,-3.2 224,-2.4 -2,-0.3 2,-1.0 -0.783 38.4-144.2 -83.1 105.2 29.9 -37.3 -3.1 42 42 A b E +o 265 0G 0 -2,-0.9 228,-1.1 222,-0.2 224,-0.2 -0.633 34.4 161.1 -78.8 103.2 29.3 -39.9 -5.8 43 43 A S B > +P 269 0H 8 222,-2.4 3,-2.0 -2,-1.0 223,-0.2 0.211 6.5 151.9-117.4 9.3 29.2 -43.1 -3.8 44 44 A K T 3 S+ 0 0 91 224,-2.0 226,-0.1 221,-0.8 223,-0.1 -0.174 76.1 5.6 -46.3 125.2 27.5 -45.7 -6.1 45 45 A G T 3 S+ 0 0 81 1,-0.2 2,-0.4 221,-0.1 -1,-0.3 0.586 105.6 113.8 78.3 12.9 28.6 -49.2 -5.3 46 46 A K S < S- 0 0 51 -3,-2.0 2,-0.8 29,-0.0 -1,-0.2 -0.946 72.4-119.5-123.2 138.1 30.8 -48.3 -2.3 47 47 A R - 0 0 138 -2,-0.4 28,-3.5 -3,-0.1 29,-2.6 -0.610 47.2-171.9 -70.5 110.0 30.5 -49.0 1.4 48 48 A T E -q 76 0I 45 -2,-0.8 2,-0.5 26,-0.2 29,-0.2 -0.899 22.6-167.9-116.0 135.9 30.3 -45.5 2.7 49 49 A V E -q 77 0I 16 27,-2.0 29,-2.8 -2,-0.4 2,-0.8 -0.982 5.9-163.1-122.1 116.1 30.3 -44.1 6.2 50 50 A D E -q 78 0I 63 -2,-0.5 29,-0.2 27,-0.2 4,-0.1 -0.891 6.2-160.8 -97.7 105.5 29.3 -40.5 6.6 51 51 A L > + 0 0 1 27,-2.4 3,-2.9 -2,-0.8 28,-0.1 0.718 21.5 171.1 -65.3 -24.6 30.6 -39.6 10.1 52 52 A G T 3 S- 0 0 17 26,-0.4 28,-0.4 1,-0.3 -1,-0.2 -0.279 74.4 -0.2 55.6-117.5 28.3 -36.6 10.4 53 53 A Q T 3 S+ 0 0 133 30,-0.2 31,-1.7 12,-0.1 2,-0.4 0.606 116.6 94.4 -79.8 -12.3 28.7 -35.4 14.0 54 54 A c B < S-s 84 0J 2 -3,-2.9 2,-0.4 29,-0.2 26,-0.4 -0.656 71.3-137.5 -80.7 132.7 31.2 -38.1 14.9 55 55 A G >> - 0 0 7 29,-1.5 4,-0.8 -2,-0.4 3,-0.7 -0.733 20.2-120.7 -85.7 136.9 34.9 -37.3 14.6 56 56 A L T >4 S+ 0 0 1 -2,-0.4 3,-1.1 1,-0.3 4,-0.3 0.843 116.0 46.6 -41.9 -45.6 37.1 -40.0 13.0 57 57 A L T >> S+ 0 0 0 1,-0.2 3,-2.1 2,-0.2 4,-0.9 0.859 101.4 67.4 -70.8 -33.1 39.2 -40.3 16.2 58 58 A G H <> S+ 0 0 0 -3,-0.7 4,-1.9 1,-0.3 -1,-0.2 0.636 85.9 70.5 -58.7 -16.4 36.0 -40.4 18.3 59 59 A T H << S+ 0 0 0 -3,-1.1 -1,-0.3 -4,-0.8 -2,-0.2 0.747 99.2 49.2 -69.7 -22.8 35.3 -43.8 16.7 60 60 A I H <4 S+ 0 0 6 -3,-2.1 -2,-0.2 -4,-0.3 -1,-0.2 0.865 124.8 24.7 -83.1 -37.7 38.2 -45.2 18.8 61 61 A T H < S- 0 0 0 -4,-0.9 78,-2.4 24,-0.2 79,-0.5 0.755 101.0-135.8-100.9 -35.6 37.2 -43.8 22.2 62 62 A G < - 0 0 0 -4,-1.9 76,-3.2 -5,-0.2 78,-0.2 0.990 23.1-171.9 83.3 67.6 33.5 -43.4 21.6 63 63 A P > - 0 0 0 0, 0.0 3,-3.4 0, 0.0 4,-0.1 -0.548 49.5 -91.0 -77.6 161.8 31.8 -40.2 22.8 64 64 A P G > S+ 0 0 28 0, 0.0 3,-1.7 0, 0.0 4,-0.3 0.732 126.5 58.5 -49.4 -37.1 28.0 -40.4 22.5 65 65 A Q G 3 S+ 0 0 59 1,-0.3 -11,-0.2 -12,-0.1 -12,-0.1 0.554 108.1 48.8 -71.0 -10.4 27.9 -38.9 18.9 66 66 A c G X S+ 0 0 0 -3,-3.4 3,-1.7 -8,-0.1 4,-0.3 0.137 75.9 109.2-108.6 15.3 30.1 -41.9 17.8 67 67 A D G X S+ 0 0 56 -3,-1.7 3,-0.6 1,-0.3 -2,-0.1 0.873 82.3 47.2 -61.9 -33.9 28.0 -44.6 19.5 68 68 A Q G 3 S+ 0 0 180 -4,-0.3 -1,-0.3 1,-0.2 3,-0.1 0.420 111.5 52.9 -87.8 4.5 26.8 -45.9 16.1 69 69 A F G X + 0 0 42 -3,-1.7 3,-1.1 1,-0.1 -1,-0.2 0.235 68.9 110.6-121.0 12.8 30.3 -45.8 14.7 70 70 A L T < S+ 0 0 27 -3,-0.6 -1,-0.1 -4,-0.3 -2,-0.1 0.678 95.2 19.1 -69.8 -19.5 32.4 -47.9 17.2 71 71 A E T 3 S+ 0 0 85 -3,-0.1 -1,-0.3 38,-0.1 -2,-0.1 -0.117 90.1 164.1-140.4 41.0 32.9 -50.8 14.8 72 72 A F < - 0 0 17 -3,-1.1 36,-1.5 -13,-0.1 2,-0.3 -0.011 23.7-153.8 -70.5 170.1 32.3 -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 -0.996 25.3 153.2-149.2 128.1 33.2 -50.9 8.0 74 74 A A - 0 0 0 32,-1.5 -26,-0.2 -2,-0.3 3,-0.1 -0.998 47.4-159.3-160.2 151.7 33.8 -48.9 4.8 75 75 A D S S+ 0 0 55 -28,-3.5 181,-1.6 1,-0.3 2,-0.4 0.601 100.0 34.0 -97.6 -29.4 35.5 -48.4 1.4 76 76 A L E S-qr 48 256I 2 -29,-2.6 -27,-2.0 179,-0.2 2,-0.5 -0.996 70.1-164.5-131.1 129.3 34.9 -44.7 1.6 77 77 A I E -qr 49 257I 0 179,-2.6 181,-3.2 -2,-0.4 2,-0.6 -0.965 4.8-161.5-121.8 124.1 35.0 -42.5 4.8 78 78 A I E -qr 50 258I 0 -29,-2.8 -27,-2.4 -2,-0.5 -26,-0.4 -0.908 1.7-161.0-111.7 116.4 33.5 -39.0 4.9 79 79 A E E - r 0 259I 15 179,-2.8 181,-1.9 -2,-0.6 2,-0.3 -0.755 11.1-151.4 -92.5 138.3 34.5 -36.5 7.6 80 80 A R > - 0 0 24 -28,-0.4 3,-1.4 -2,-0.4 181,-0.1 -0.754 23.5-121.6-110.2 154.4 32.2 -33.5 8.2 81 81 A R T 3 S+ 0 0 169 179,-0.4 -1,-0.1 -2,-0.3 180,-0.1 0.897 114.4 55.0 -55.8 -40.5 33.0 -30.0 9.5 82 82 A E T 3 S+ 0 0 109 2,-0.0 -1,-0.3 -3,-0.0 -27,-0.1 0.563 83.5 119.6 -73.3 -8.3 30.6 -30.5 12.4 83 83 A G < - 0 0 26 -3,-1.4 2,-0.4 -29,-0.2 -29,-0.2 -0.256 45.1-163.8 -64.2 146.3 32.4 -33.7 13.5 84 84 A S B -s 54 0J 45 -31,-1.7 -29,-1.5 1,-0.1 -19,-0.1 -0.983 20.4-160.8-141.4 126.9 33.9 -33.9 17.0 85 85 A D S S+ 0 0 26 -2,-0.4 2,-0.3 -31,-0.2 -24,-0.2 0.477 76.3 40.3 -79.3 -8.3 36.4 -36.4 18.5 86 86 A V - 0 0 22 1,-0.1 -21,-0.1 4,-0.1 -28,-0.1 -0.924 41.8-173.1-142.0 156.2 35.5 -35.7 22.1 87 87 A d S S+ 0 0 5 1,-0.4 -1,-0.1 -2,-0.3 3,-0.1 0.586 90.9 52.3-111.0 -59.0 32.7 -35.0 24.5 88 88 A Y S S- 0 0 18 1,-0.1 -1,-0.4 38,-0.0 133,-0.2 -0.712 117.2 -91.7 -75.5 119.7 34.8 -34.2 27.6 89 89 A P S S+ 0 0 4 0, 0.0 132,-1.4 0, 0.0 2,-0.3 0.057 74.4 130.7 -36.8 123.9 37.2 -31.5 26.3 90 90 A G E -u 221 0L 15 130,-0.3 2,-0.3 -3,-0.1 132,-0.2 -0.965 41.8-135.4-167.1 178.8 40.4 -33.1 25.1 91 91 A K E -u 222 0L 114 130,-1.9 132,-3.0 -2,-0.3 2,-0.5 -0.996 19.2-121.1-151.0 146.9 42.9 -33.5 22.4 92 92 A F E > -u 223 0L 12 -2,-0.3 3,-1.0 130,-0.2 2,-0.4 -0.793 20.8-132.2 -92.3 129.7 44.8 -36.2 20.6 93 93 A V T 3 S+ 0 0 57 130,-2.8 5,-0.1 -2,-0.5 132,-0.1 -0.704 100.4 8.8 -69.5 129.0 48.6 -36.4 20.6 94 94 A N T 3> S+ 0 0 104 -2,-0.4 4,-1.8 3,-0.1 -1,-0.3 0.897 85.0 169.8 63.0 44.0 49.5 -37.0 17.0 95 95 A E H <> + 0 0 35 -3,-1.0 4,-1.2 1,-0.2 -2,-0.1 0.914 67.6 47.2 -55.5 -47.0 46.0 -36.4 15.9 96 96 A E H > S+ 0 0 24 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.809 107.6 53.6 -73.2 -33.6 46.6 -36.2 12.1 97 97 A A H > S+ 0 0 34 -3,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.964 110.3 48.9 -60.9 -50.2 48.8 -39.3 11.8 98 98 A L H X S+ 0 0 0 -4,-1.8 4,-1.9 1,-0.2 -2,-0.2 0.773 110.0 53.2 -57.9 -28.1 46.1 -41.3 13.6 99 99 A R H X S+ 0 0 10 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