==== 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 4BSD . 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) . 23867.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 309 63.6 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 . 93 19.1 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 . 26 5.3 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 . 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 . 7 4 5 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 0 120 0, 0.0 456,-4.1 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 -37.0 40.1 -29.1 -68.8 2 2 A K E -AB 344 456A 88 342,-1.4 342,-2.5 454,-0.3 2,-0.4 -0.928 360.0-158.2-139.4 154.8 41.0 -29.3 -65.1 3 3 A I E -AB 343 455A 2 452,-2.1 452,-2.5 -2,-0.3 2,-0.3 -0.992 22.5-157.0-130.8 125.5 40.7 -31.2 -61.8 4 4 A a E -AB 342 454A 21 338,-1.4 338,-2.7 -2,-0.4 2,-0.4 -0.765 4.9-152.9-108.8 145.6 41.3 -29.4 -58.5 5 5 A L E +A 341 0A 4 448,-2.7 2,-0.2 -2,-0.3 336,-0.2 -0.901 29.8 136.9-113.5 145.5 42.3 -30.6 -55.0 6 6 A G E -A 340 0A 0 334,-1.7 334,-1.6 -2,-0.4 2,-0.3 -0.877 36.7-114.1-162.6-167.0 41.5 -29.0 -51.7 7 7 A H E -A 339 0A 0 322,-0.3 324,-3.8 -2,-0.2 332,-0.2 -0.912 34.1 -88.3-143.8 165.8 40.3 -29.4 -48.1 8 8 A H B +e 331 0B 28 330,-2.6 306,-0.3 -2,-0.3 2,-0.3 -0.281 44.0 171.5 -77.5 161.5 37.4 -28.6 -45.9 9 9 A A - 0 0 9 322,-1.0 2,-0.3 325,-0.2 304,-0.1 -0.985 25.3-138.7-162.9 158.6 37.0 -25.3 -43.9 10 10 A L - 0 0 84 -2,-0.3 3,-0.1 1,-0.1 320,-0.1 -0.787 27.5-123.6-112.0 163.0 34.6 -23.2 -41.8 11 11 A S S S+ 0 0 89 -2,-0.3 2,-0.4 1,-0.2 -1,-0.1 0.853 104.5 30.2 -69.9 -35.1 34.2 -19.4 -42.0 12 12 A N S S- 0 0 116 15,-0.1 -1,-0.2 -3,-0.0 2,-0.1 -0.988 79.1-173.2-130.0 132.9 35.1 -19.3 -38.3 13 13 A G - 0 0 17 -2,-0.4 2,-0.5 -3,-0.1 14,-0.2 -0.441 30.1 -88.8-116.3-173.5 37.3 -21.8 -36.4 14 14 A T E -F 26 0C 51 12,-2.5 12,-2.6 -2,-0.1 2,-0.3 -0.895 39.7-128.2-103.4 126.6 38.5 -22.8 -32.9 15 15 A K E +F 25 0C 133 -2,-0.5 2,-0.3 10,-0.2 10,-0.2 -0.550 35.8 165.3 -77.4 131.8 41.7 -21.0 -31.6 16 16 A V E -F 24 0C 4 8,-2.6 8,-2.8 -2,-0.3 2,-0.3 -0.879 30.7-116.7-135.6 170.1 44.5 -23.2 -30.2 17 17 A N - 0 0 43 289,-0.5 5,-0.2 -2,-0.3 404,-0.2 -0.861 27.5-179.9-112.0 147.3 48.2 -22.9 -29.3 18 18 A T - 0 0 14 3,-2.9 401,-0.2 -2,-0.3 400,-0.2 -0.615 48.0 -88.5-127.2-173.8 51.2 -24.6 -30.9 19 19 A L S S+ 0 0 107 399,-0.8 400,-0.1 -2,-0.2 3,-0.1 0.789 127.9 30.7 -67.2 -28.3 55.0 -24.6 -30.4 20 20 A T S S+ 0 0 105 398,-0.2 2,-0.3 1,-0.2 -1,-0.2 0.704 121.1 36.4-103.0 -25.7 55.2 -21.7 -32.8 21 21 A E - 0 0 102 397,-0.1 -3,-2.9 3,-0.0 2,-0.4 -0.969 57.6-137.5-144.8 143.5 52.0 -19.7 -32.4 22 22 A R S S+ 0 0 194 -2,-0.3 -5,-0.2 -5,-0.2 -3,-0.0 -0.840 87.9 5.2 -94.7 136.1 49.3 -18.5 -30.0 23 23 A G S S+ 0 0 31 -2,-0.4 2,-0.4 1,-0.2 -6,-0.2 0.887 73.1 169.6 63.8 46.5 45.7 -18.7 -31.1 24 24 A V E -F 16 0C 6 -8,-2.8 -8,-2.6 -3,-0.3 2,-0.4 -0.751 34.5-122.1 -84.2 137.3 45.9 -20.5 -34.5 25 25 A E E -F 15 0C 57 -2,-0.4 288,-2.3 -10,-0.2 2,-0.3 -0.679 32.0-177.1 -88.8 130.3 42.4 -21.4 -35.8 26 26 A V E -FG 14 312C 0 -12,-2.6 -12,-2.5 -2,-0.4 286,-0.2 -0.783 37.8-112.3-120.4 166.0 41.7 -25.1 -36.5 27 27 A V S S+ 0 0 19 284,-2.9 2,-0.3 -2,-0.3 285,-0.1 0.944 97.1 0.8 -65.9 -48.8 38.7 -26.9 -37.9 28 28 A N + 0 0 92 283,-0.2 281,-2.7 -14,-0.1 282,-0.8 -0.982 64.8 178.3-139.9 153.3 37.9 -28.7 -34.6 29 29 A A E -H 308 0D 17 -2,-0.3 2,-0.3 279,-0.3 279,-0.2 -0.988 12.5-148.3-150.3 157.7 39.3 -28.8 -31.1 30 30 A T E -H 307 0D 53 277,-2.3 277,-2.8 -2,-0.3 2,-0.2 -0.941 25.0-108.1-130.9 149.8 38.6 -30.5 -27.7 31 31 A E E -H 306 0D 37 -2,-0.3 275,-0.2 275,-0.2 3,-0.1 -0.535 24.1-178.5 -80.3 138.1 39.2 -29.5 -24.1 32 32 A T + 0 0 3 273,-1.1 253,-1.5 -2,-0.2 2,-0.6 0.499 64.9 74.0-110.5 -10.5 41.9 -31.3 -22.0 33 33 A V E S-i 285 0E 0 251,-0.1 2,-0.3 272,-0.1 253,-0.3 -0.935 77.4-135.9-109.0 120.0 41.4 -29.5 -18.7 34 34 A E E +i 286 0E 25 251,-2.7 253,-2.2 -2,-0.6 254,-0.2 -0.550 33.1 161.1 -75.8 130.0 38.3 -30.5 -16.6 35 35 A R + 0 0 94 -2,-0.3 2,-0.6 251,-0.2 -1,-0.1 0.487 42.0 105.7-118.8 -11.0 36.2 -27.7 -15.0 36 36 A T - 0 0 94 244,-0.1 244,-0.4 2,-0.0 2,-0.4 -0.636 48.4-170.5 -81.0 116.0 32.9 -29.4 -14.4 37 37 A N - 0 0 51 -2,-0.6 242,-0.2 242,-0.1 240,-0.1 -0.826 18.9-142.7 -97.7 141.7 32.3 -30.3 -10.7 38 38 A I B -K 278 0F 43 240,-2.5 240,-2.3 -2,-0.4 2,-2.1 -0.943 18.3-140.3 -96.6 118.5 29.4 -32.4 -9.5 39 39 A P S S+ 0 0 74 0, 0.0 224,-0.4 0, 0.0 2,-0.3 -0.138 74.6 72.5 -77.6 49.7 28.4 -30.8 -6.2 40 40 A R S S- 0 0 88 -2,-2.1 2,-0.9 222,-0.2 238,-0.7 -0.980 88.5-105.5-155.6 153.0 27.9 -34.1 -4.5 41 41 A I E -o 264 0G 0 222,-3.0 224,-2.2 -2,-0.3 2,-1.0 -0.819 37.5-147.6 -86.6 107.9 29.9 -37.1 -3.1 42 42 A b E +o 265 0G 0 -2,-0.9 228,-0.7 222,-0.2 224,-0.2 -0.679 33.6 158.0 -84.6 102.1 29.3 -39.7 -5.7 43 43 A S B > +P 269 0H 7 222,-2.2 3,-2.1 -2,-1.0 223,-0.2 0.129 6.9 154.6-119.5 19.0 29.3 -43.0 -3.8 44 44 A K T 3 S+ 0 0 88 224,-1.9 226,-0.2 221,-0.6 223,-0.1 -0.238 76.9 6.5 -48.3 127.2 27.5 -45.4 -6.1 45 45 A G T 3 S+ 0 0 84 1,-0.2 2,-0.4 221,-0.2 -1,-0.3 0.560 105.8 114.8 76.8 11.0 28.6 -49.0 -5.3 46 46 A K S < S- 0 0 46 -3,-2.1 2,-0.6 29,-0.0 -1,-0.2 -0.953 72.9-120.5-120.8 130.1 30.7 -48.1 -2.4 47 47 A R - 0 0 136 -2,-0.4 28,-3.4 -3,-0.1 29,-2.2 -0.541 47.8-169.6 -62.4 110.2 30.3 -48.9 1.3 48 48 A T E -q 76 0I 46 -2,-0.6 2,-0.5 26,-0.2 29,-0.2 -0.880 23.4-168.5-118.2 139.8 30.1 -45.4 2.6 49 49 A V E -q 77 0I 17 27,-2.1 29,-2.6 -2,-0.4 2,-0.7 -0.970 4.9-164.7-127.8 112.3 30.1 -44.0 6.2 50 50 A D E -q 78 0I 62 -2,-0.5 29,-0.1 27,-0.2 4,-0.1 -0.885 5.9-161.8 -97.7 110.1 29.1 -40.3 6.6 51 51 A L > + 0 0 2 27,-2.2 3,-3.0 -2,-0.7 28,-0.1 0.667 20.0 172.2 -72.5 -18.7 30.4 -39.4 10.1 52 52 A G T 3 S+ 0 0 17 26,-0.4 28,-0.5 1,-0.3 -1,-0.2 -0.207 74.8 0.5 50.4-120.3 28.2 -36.3 10.5 53 53 A Q T 3 S+ 0 0 140 30,-0.2 31,-2.1 12,-0.1 2,-0.5 0.599 116.1 94.9 -76.6 -11.5 28.5 -35.1 14.1 54 54 A c B < S-s 84 0J 2 -3,-3.0 26,-0.3 29,-0.2 31,-0.2 -0.689 71.4-138.6 -82.6 126.8 30.9 -37.9 14.9 55 55 A G - 0 0 7 29,-2.3 4,-0.4 -2,-0.5 3,-0.4 -0.569 20.0-121.1 -77.1 149.8 34.6 -37.1 14.7 56 56 A L S > S+ 0 0 1 1,-0.2 3,-1.2 -2,-0.2 4,-0.2 0.874 114.6 49.8 -60.2 -40.7 36.8 -39.8 13.1 57 57 A L T >> S+ 0 0 0 1,-0.2 3,-1.2 2,-0.2 4,-0.7 0.754 99.2 69.3 -71.9 -23.0 39.0 -40.1 16.2 58 58 A G H 3> S+ 0 0 0 -3,-0.4 4,-2.2 1,-0.2 -1,-0.2 0.626 82.9 72.1 -65.9 -14.9 35.8 -40.3 18.3 59 59 A T H <4 S+ 0 0 0 -3,-1.2 -1,-0.2 -4,-0.4 -2,-0.2 0.741 99.3 47.0 -72.5 -21.9 35.2 -43.8 16.8 60 60 A I H <4 S+ 0 0 7 -3,-1.2 -1,-0.2 -4,-0.2 -2,-0.2 0.736 123.5 29.7 -88.7 -26.4 38.0 -45.2 18.9 61 61 A T H < S- 0 0 0 -4,-0.7 78,-2.7 24,-0.2 79,-0.5 0.803 99.8-131.7-104.9 -42.0 37.0 -43.6 22.2 62 62 A G < - 0 0 0 -4,-2.2 76,-3.2 76,-0.2 78,-0.1 0.955 27.8-179.4 92.1 61.2 33.3 -43.4 21.9 63 63 A P > - 0 0 0 0, 0.0 3,-2.4 0, 0.0 4,-0.1 -0.483 49.8 -95.7 -76.2 164.7 31.5 -40.1 22.8 64 64 A P G > S+ 0 0 33 0, 0.0 3,-1.6 0, 0.0 4,-0.2 0.815 124.7 58.0 -55.3 -39.3 27.7 -40.2 22.5 65 65 A Q G 3 S+ 0 0 58 1,-0.3 -11,-0.2 -12,-0.1 3,-0.2 0.667 109.6 47.6 -62.8 -18.1 27.7 -38.7 18.9 66 66 A c G X S+ 0 0 0 -3,-2.4 3,-1.6 1,-0.1 -1,-0.3 0.172 75.8 108.8-107.5 16.0 29.9 -41.7 17.9 67 67 A D G X S+ 0 0 51 -3,-1.6 3,-0.6 1,-0.3 -1,-0.1 0.816 81.6 48.5 -65.1 -29.9 27.9 -44.5 19.5 68 68 A Q G 3 S+ 0 0 176 -4,-0.2 -1,-0.3 -3,-0.2 3,-0.1 0.385 110.1 54.4 -89.7 5.9 26.7 -45.8 16.1 69 69 A F G X + 0 0 43 -3,-1.6 3,-0.8 1,-0.1 -1,-0.2 0.173 68.8 108.3-121.7 15.5 30.3 -45.7 14.7 70 70 A L T < S+ 0 0 25 -3,-0.6 -1,-0.1 1,-0.2 -2,-0.1 0.783 98.1 17.5 -70.2 -25.9 32.3 -47.8 17.2 71 71 A E T 3 S+ 0 0 82 -3,-0.1 -1,-0.2 38,-0.1 -2,-0.1 -0.086 91.4 160.8-134.3 37.2 32.7 -50.8 14.8 72 72 A F < - 0 0 16 -3,-0.8 36,-1.3 -13,-0.1 2,-0.3 0.039 24.8-152.1 -63.8 168.5 32.0 -49.2 11.4 73 73 A S B +T 107 0K 53 34,-0.2 2,-0.3 -25,-0.1 34,-0.3 -0.995 25.2 149.3-146.7 134.6 33.0 -50.7 8.0 74 74 A A - 0 0 0 32,-1.3 -26,-0.2 -2,-0.3 3,-0.1 -0.999 48.8-154.3-164.9 152.1 33.6 -48.7 4.8 75 75 A D S S+ 0 0 55 -28,-3.4 181,-2.2 -2,-0.3 2,-0.4 0.614 101.6 35.0 -93.5 -30.6 35.3 -48.2 1.4 76 76 A L E -qr 48 256I 1 -29,-2.2 -27,-2.1 179,-0.2 2,-0.5 -0.993 69.0-165.9-132.8 127.6 34.7 -44.4 1.8 77 77 A I E -qr 49 257I 1 179,-2.5 181,-3.2 -2,-0.4 2,-0.6 -0.968 7.1-160.1-119.0 124.7 34.8 -42.4 5.0 78 78 A I E -qr 50 258I 0 -29,-2.6 -27,-2.2 -2,-0.5 -26,-0.4 -0.904 0.8-161.0-112.5 111.7 33.4 -38.8 5.0 79 79 A E E - r 0 259I 15 179,-3.0 181,-2.0 -2,-0.6 2,-0.3 -0.687 12.3-153.4 -85.4 144.0 34.4 -36.3 7.7 80 80 A R > - 0 0 23 -28,-0.5 3,-1.8 -26,-0.3 181,-0.1 -0.858 24.6-119.8-119.5 152.9 32.1 -33.3 8.2 81 81 A R T 3 S+ 0 0 174 179,-0.4 -1,-0.1 -2,-0.3 180,-0.1 0.862 114.4 54.7 -57.9 -36.8 32.9 -29.8 9.6 82 82 A E T 3 S+ 0 0 110 2,-0.0 -1,-0.3 -28,-0.0 -27,-0.1 0.527 83.9 118.7 -75.0 -6.0 30.4 -30.3 12.4 83 83 A G < - 0 0 26 -3,-1.8 2,-0.4 -29,-0.2 -29,-0.2 -0.369 45.5-166.2 -66.6 138.1 32.1 -33.5 13.5 84 84 A S B -s 54 0J 47 -31,-2.1 -29,-2.3 -29,-0.1 -19,-0.1 -0.997 18.7-159.8-129.2 133.3 33.6 -33.6 17.0 85 85 A D S S+ 0 0 26 -2,-0.4 2,-0.3 -31,-0.2 -24,-0.2 0.552 74.8 50.9 -80.3 -12.8 36.1 -36.2 18.4 86 86 A V - 0 0 25 1,-0.2 -21,-0.1 4,-0.1 -28,-0.1 -0.866 41.4-177.8-132.0 155.6 35.3 -35.4 22.0 87 87 A d S S+ 0 0 6 1,-0.4 -1,-0.2 -2,-0.3 3,-0.1 0.632 90.0 47.4-108.8 -62.9 32.5 -35.1 24.6 88 88 A Y S S- 0 0 12 1,-0.1 -1,-0.4 38,-0.0 133,-0.2 -0.695 114.6 -91.6 -77.5 127.4 34.6 -34.1 27.6 89 89 A P S S+ 0 0 3 0, 0.0 132,-1.1 0, 0.0 2,-0.3 -0.014 79.2 102.7 -46.8 137.5 37.0 -31.4 26.5 90 90 A G E -u 221 0L 22 130,-0.3 2,-0.3 -3,-0.1 132,-0.2 -0.971 48.1-133.0 171.1-178.9 40.3 -32.8 25.3 91 91 A K E -u 222 0L 120 130,-1.5 132,-2.1 -2,-0.3 2,-0.4 -0.984 22.9-100.7-159.7 165.7 42.5 -33.6 22.3 92 92 A F E > -u 223 0L 7 -2,-0.3 3,-0.9 130,-0.2 2,-0.4 -0.741 25.4-129.4 -94.8 132.8 44.7 -36.3 20.8 93 93 A V T 3 S+ 0 0 60 130,-3.1 132,-0.1 -2,-0.4 -1,-0.0 -0.673 100.9 8.7 -72.4 125.7 48.5 -36.3 20.9 94 94 A N T 3> S+ 0 0 110 -2,-0.4 4,-1.5 3,-0.1 -1,-0.3 0.917 86.9 167.7 69.5 46.2 49.7 -36.9 17.3 95 95 A E H <> + 0 0 38 -3,-0.9 4,-1.7 1,-0.2 5,-0.1 0.836 63.7 50.1 -67.3 -40.4 46.1 -36.5 16.0 96 96 A E H > S+ 0 0 25 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.828 106.4 55.5 -75.4 -33.6 46.6 -36.2 12.3 97 97 A A H > S+ 0 0 32 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.931 110.2 47.5 -55.7 -48.0 48.8 -39.3 12.0 98 98 A L H X S+ 0 0 0 -4,-1.5 4,-2.3 1,-0.2 -2,-0.2 0.857 109.3 53.5 -64.3 -37.1 46.0 -41.3 13.7 99 99 A R H X S+ 0 0 6 -4,-1.7 4,-2.7 2,-0.2 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