==== 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 4BSG . COMPND 2 MOLECULE: HEMAGGLUTININ; . SOURCE 2 ORGANISM_SCIENTIFIC: INFLUENZA A (VIRUS A/TURKEY/ITALY/2148 . 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) . 23844.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 313 64.4 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 . 98 20.2 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 . 6 1.2 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 . 2 0.4 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 . 40 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 30 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 94 19.3 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 . 6 6 5 2 1 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 . 4 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 94 0, 0.0 456,-3.0 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 -30.3 39.9 -30.4 -68.8 2 2 A K E -AB 344 456A 80 342,-2.2 342,-2.9 454,-0.3 2,-0.4 -0.987 360.0-156.5-158.0 146.6 41.1 -30.4 -65.2 3 3 A I E -AB 343 455A 0 452,-1.7 452,-2.6 -2,-0.3 2,-0.4 -0.989 20.5-160.8-122.1 132.8 40.8 -32.1 -61.8 4 4 A a E -AB 342 454A 19 338,-3.0 338,-2.8 -2,-0.4 450,-0.2 -0.931 8.5-138.5-122.6 137.8 41.7 -30.1 -58.6 5 5 A L E +A 341 0A 3 448,-2.8 2,-0.3 -2,-0.4 336,-0.2 -0.616 32.3 152.7 -92.2 150.4 42.6 -31.4 -55.1 6 6 A G E -A 340 0A 0 334,-1.9 334,-1.8 -2,-0.2 2,-0.3 -0.931 30.9-128.5-159.7-176.7 41.3 -29.8 -51.9 7 7 A H E -A 339 0A 0 322,-0.3 324,-3.1 -2,-0.3 332,-0.2 -0.925 33.5 -95.5-140.4 162.5 40.4 -30.1 -48.3 8 8 A H B +e 331 0B 23 330,-2.5 306,-0.3 -2,-0.3 2,-0.3 -0.206 38.0 177.8 -77.3 170.2 37.4 -29.2 -46.1 9 9 A A - 0 0 5 322,-1.1 2,-0.3 325,-0.2 325,-0.1 -0.971 14.4-143.7-163.6 162.0 36.9 -26.1 -44.1 10 10 A V - 0 0 52 -2,-0.3 3,-0.3 1,-0.1 320,-0.1 -0.874 20.5-130.6-129.5 162.4 34.3 -24.4 -41.8 11 11 A S S S+ 0 0 97 -2,-0.3 2,-0.8 1,-0.2 -1,-0.1 0.894 103.9 46.6 -74.9 -43.1 33.1 -20.9 -41.1 12 12 A N S S+ 0 0 136 -3,-0.1 -1,-0.2 15,-0.1 2,-0.0 -0.770 76.9 170.3-107.4 87.8 33.4 -21.3 -37.3 13 13 A G - 0 0 5 -2,-0.8 2,-0.4 -3,-0.3 14,-0.2 -0.155 30.8-114.7 -81.3-177.2 36.7 -22.9 -36.4 14 14 A T E -F 26 0C 45 12,-2.8 12,-3.2 10,-0.0 2,-0.3 -0.985 23.6-124.6-125.3 136.5 38.2 -23.4 -33.0 15 15 A K E +F 25 0C 134 -2,-0.4 2,-0.3 10,-0.3 10,-0.2 -0.584 32.9 169.0 -83.9 138.3 41.4 -21.7 -31.8 16 16 A V E -F 24 0C 4 8,-2.8 8,-2.6 -2,-0.3 2,-0.3 -0.912 29.5-118.2-137.1 165.7 44.4 -23.7 -30.4 17 17 A N - 0 0 46 289,-0.4 5,-0.2 -2,-0.3 404,-0.2 -0.837 27.9-176.4-107.4 145.7 48.0 -23.0 -29.5 18 18 A T - 0 0 13 3,-2.9 401,-0.2 -2,-0.3 400,-0.2 -0.581 45.6 -91.6-123.0-174.0 51.0 -24.7 -31.1 19 19 A L S S+ 0 0 104 399,-0.7 400,-0.1 -2,-0.2 3,-0.1 0.825 126.4 33.9 -67.0 -31.0 54.8 -24.6 -30.6 20 20 A T S S+ 0 0 104 1,-0.2 2,-0.3 398,-0.2 -1,-0.2 0.542 122.2 26.4-106.5 -11.5 55.0 -21.8 -33.1 21 21 A E - 0 0 109 3,-0.0 -3,-2.9 0, 0.0 2,-0.4 -0.995 59.8-132.0-158.5 145.6 51.8 -19.7 -32.7 22 22 A R S S+ 0 0 194 -2,-0.3 -5,-0.2 -5,-0.2 -3,-0.0 -0.846 88.8 12.1 -97.7 133.9 49.0 -18.7 -30.3 23 23 A G S S+ 0 0 28 -2,-0.4 2,-0.3 1,-0.2 -6,-0.2 0.852 72.2 173.2 73.6 38.4 45.4 -18.9 -31.4 24 24 A V E -F 16 0C 8 -8,-2.6 -8,-2.8 -3,-0.4 2,-0.5 -0.635 31.6-127.0 -74.2 131.5 45.7 -20.9 -34.6 25 25 A E E -F 15 0C 66 -2,-0.3 288,-2.6 -10,-0.2 2,-0.3 -0.727 31.5-177.6 -89.6 126.4 42.2 -21.8 -35.9 26 26 A V E -FG 14 312C 0 -12,-3.2 -12,-2.8 -2,-0.5 286,-0.2 -0.788 39.4-110.0-120.9 163.0 41.5 -25.4 -36.6 27 27 A V S S- 0 0 25 284,-2.8 2,-0.3 -2,-0.3 285,-0.1 0.891 97.1 -7.0 -62.5 -42.3 38.5 -27.3 -38.0 28 28 A N + 0 0 92 283,-0.2 281,-2.4 -14,-0.1 282,-0.7 -0.987 63.9 176.8-150.7 160.6 37.8 -28.9 -34.6 29 29 A A E -H 308 0D 12 -2,-0.3 2,-0.3 279,-0.3 279,-0.2 -0.969 14.0-143.9-156.5 164.9 39.3 -29.2 -31.2 30 30 A T E -H 307 0D 58 277,-2.4 277,-3.3 -2,-0.3 2,-0.2 -0.986 25.3-105.7-141.0 148.2 38.5 -30.7 -27.8 31 31 A E E -H 306 0D 29 -2,-0.3 275,-0.2 275,-0.2 3,-0.1 -0.458 22.5-177.4 -76.0 139.2 39.2 -29.7 -24.1 32 32 A T + 0 0 2 273,-1.1 253,-1.8 -2,-0.2 2,-0.6 0.495 66.1 75.8-108.7 -10.8 41.8 -31.5 -22.1 33 33 A V E S-i 285 0E 1 251,-0.1 2,-0.3 272,-0.1 253,-0.3 -0.917 76.7-136.4-107.3 119.0 41.2 -29.6 -18.8 34 34 A E E +i 286 0E 27 251,-3.1 253,-2.3 -2,-0.6 254,-0.2 -0.587 32.5 161.8 -75.5 129.4 38.2 -30.5 -16.7 35 35 A R + 0 0 130 -2,-0.3 2,-0.6 251,-0.2 -1,-0.1 0.466 45.3 98.0-118.4 -13.2 36.2 -27.6 -15.3 36 36 A T - 0 0 97 244,-0.1 244,-0.4 2,-0.0 2,-0.3 -0.737 51.8-170.0 -90.2 120.6 32.9 -29.2 -14.4 37 37 A N - 0 0 48 -2,-0.6 242,-0.2 242,-0.1 240,-0.1 -0.783 19.5-138.9-102.0 148.2 32.4 -30.3 -10.8 38 38 A V B -K 278 0F 27 240,-2.2 240,-2.6 -2,-0.3 2,-1.6 -0.961 17.4-141.7-102.5 118.3 29.5 -32.4 -9.5 39 39 A P S S+ 0 0 72 0, 0.0 224,-0.4 0, 0.0 2,-0.3 -0.110 73.6 71.8 -78.6 43.9 28.5 -30.9 -6.2 40 40 A R S S- 0 0 94 -2,-1.6 2,-0.9 222,-0.2 238,-0.3 -0.956 89.1-105.4-146.5 158.9 27.9 -34.2 -4.5 41 41 A I E -o 264 0G 0 222,-2.6 224,-2.6 -2,-0.3 2,-1.1 -0.845 38.1-145.2 -87.4 105.0 29.9 -37.1 -3.1 42 42 A b E +o 265 0G 0 -2,-0.9 228,-0.9 222,-0.2 224,-0.2 -0.639 33.9 161.3 -80.4 99.8 29.3 -39.7 -5.8 43 43 A S B > +P 269 0H 7 222,-2.2 3,-2.1 -2,-1.1 223,-0.2 0.150 6.6 151.7-114.2 13.2 29.2 -42.9 -3.8 44 44 A K T 3 S+ 0 0 93 224,-2.3 226,-0.2 221,-0.6 223,-0.1 -0.221 76.5 5.8 -49.8 130.0 27.4 -45.5 -6.1 45 45 A G T 3 S+ 0 0 77 221,-0.2 2,-0.4 1,-0.2 -1,-0.3 0.470 105.5 112.3 78.0 3.7 28.6 -49.0 -5.3 46 46 A K S < S- 0 0 49 -3,-2.1 2,-0.8 29,-0.0 -1,-0.2 -0.916 73.9-119.8-116.0 134.4 30.8 -48.1 -2.3 47 47 A R - 0 0 136 -2,-0.4 28,-3.4 -3,-0.1 29,-2.5 -0.613 46.9-168.8 -65.7 108.4 30.4 -48.9 1.4 48 48 A T E -q 76 0I 45 -2,-0.8 2,-0.5 26,-0.2 29,-0.2 -0.872 22.3-169.0-115.0 135.6 30.1 -45.3 2.6 49 49 A V E -q 77 0I 17 27,-2.6 29,-2.9 -2,-0.4 2,-0.8 -0.963 5.5-164.5-124.6 109.7 30.2 -44.0 6.2 50 50 A D E -q 78 0I 62 -2,-0.5 29,-0.2 27,-0.2 4,-0.1 -0.872 5.6-161.0 -95.8 110.4 29.3 -40.3 6.6 51 51 A L > + 0 0 2 27,-2.7 3,-2.7 -2,-0.8 28,-0.1 0.725 20.8 170.7 -70.3 -25.0 30.5 -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 -0.317 74.5 1.3 56.8-118.8 28.3 -36.3 10.4 53 53 A Q T 3 S+ 0 0 127 30,-0.2 31,-2.0 12,-0.1 2,-0.5 0.590 115.1 94.4 -74.5 -17.7 28.6 -35.1 14.0 54 54 A c B < S-s 84 0J 2 -3,-2.7 26,-0.3 29,-0.2 2,-0.2 -0.684 72.4-137.9 -81.8 125.8 31.1 -37.9 14.9 55 55 A G >> - 0 0 7 29,-2.3 3,-1.1 -2,-0.5 4,-0.7 -0.616 21.7-119.0 -77.4 143.9 34.8 -36.9 14.7 56 56 A L T >4 S+ 0 0 2 1,-0.3 3,-1.1 -2,-0.2 4,-0.3 0.875 115.9 49.3 -52.4 -42.2 36.9 -39.6 13.1 57 57 A L T >> S+ 0 0 1 1,-0.2 3,-1.0 2,-0.2 4,-0.9 0.727 99.4 68.7 -73.3 -19.8 39.0 -40.0 16.3 58 58 A G H <> S+ 0 0 0 -3,-1.1 4,-2.6 1,-0.2 -1,-0.2 0.719 82.9 72.5 -66.6 -22.2 35.8 -40.2 18.3 59 59 A T H << S+ 0 0 0 -3,-1.1 -1,-0.2 -4,-0.7 -2,-0.2 0.775 101.7 44.5 -63.8 -24.1 35.2 -43.6 16.7 60 60 A I H <4 S+ 0 0 4 -3,-1.0 -1,-0.2 -4,-0.3 -2,-0.2 0.810 124.6 29.3 -87.5 -37.0 38.0 -44.9 18.9 61 61 A T H < S- 0 0 0 -4,-0.9 78,-2.5 24,-0.2 79,-0.3 0.844 98.6-135.1 -95.8 -42.0 37.1 -43.3 22.2 62 62 A G < - 0 0 0 -4,-2.6 76,-2.8 76,-0.2 -3,-0.1 0.936 24.7-175.9 90.2 55.0 33.3 -43.0 21.8 63 63 A P > - 0 0 0 0, 0.0 3,-2.7 0, 0.0 4,-0.2 -0.401 50.7 -92.6 -67.5 163.8 31.8 -39.7 22.8 64 64 A P G > S+ 0 0 30 0, 0.0 3,-1.6 0, 0.0 4,-0.2 0.802 126.0 58.9 -53.7 -37.1 27.9 -39.9 22.6 65 65 A Q G 3 S+ 0 0 59 1,-0.3 3,-0.2 -12,-0.1 -11,-0.2 0.637 106.0 51.2 -66.7 -13.9 27.8 -38.6 19.0 66 66 A c G X S+ 0 0 0 -3,-2.7 3,-2.1 1,-0.1 -1,-0.3 0.249 73.2 111.5-104.3 11.8 30.0 -41.5 17.9 67 67 A D G X S+ 0 0 56 -3,-1.6 3,-0.5 1,-0.3 -1,-0.1 0.800 80.9 46.7 -57.9 -30.4 27.9 -44.3 19.5 68 68 A Q G 3 S+ 0 0 170 -3,-0.2 -1,-0.3 -4,-0.2 3,-0.1 0.341 109.8 55.1 -93.1 6.6 26.8 -45.6 16.1 69 69 A F G < + 0 0 43 -3,-2.1 3,-0.5 1,-0.1 -1,-0.2 0.077 68.0 110.1-125.0 22.1 30.3 -45.6 14.7 70 70 A L S < S+ 0 0 26 -3,-0.5 -1,-0.1 1,-0.2 -2,-0.1 0.733 97.1 14.9 -74.7 -21.0 32.2 -47.7 17.2 71 71 A E S S+ 0 0 76 -3,-0.1 -1,-0.2 38,-0.1 -2,-0.1 -0.011 88.3 161.7-142.5 33.8 32.7 -50.6 14.8 72 72 A F - 0 0 18 -3,-0.5 36,-1.4 -13,-0.1 2,-0.4 -0.024 27.2-148.4 -61.1 161.2 31.9 -49.3 11.3 73 73 A S B +T 107 0K 61 34,-0.2 2,-0.3 -25,-0.1 34,-0.3 -0.982 29.0 160.8-130.2 137.7 33.0 -50.9 8.1 74 74 A A - 0 0 0 32,-1.8 -26,-0.2 -2,-0.4 3,-0.1 -0.993 47.2-166.4-161.9 146.4 33.7 -48.8 5.0 75 75 A D S S+ 0 0 52 -28,-3.4 181,-2.1 -2,-0.3 2,-0.4 0.646 99.5 32.7 -93.8 -33.8 35.3 -48.3 1.5 76 76 A L E -qr 48 256I 2 -29,-2.5 -27,-2.6 179,-0.2 2,-0.5 -0.984 69.8-166.1-132.7 122.0 34.8 -44.5 1.8 77 77 A I E -qr 49 257I 0 179,-2.6 181,-2.9 -2,-0.4 2,-0.6 -0.935 6.9-159.7-112.0 127.1 34.8 -42.5 5.0 78 78 A I E -qr 50 258I 0 -29,-2.9 -27,-2.7 -2,-0.5 -26,-0.4 -0.921 1.5-163.3-114.2 115.0 33.5 -38.9 5.0 79 79 A E E - r 0 259I 16 179,-2.6 181,-1.8 -2,-0.6 2,-0.3 -0.730 11.2-154.6 -89.2 144.5 34.5 -36.4 7.7 80 80 A R > - 0 0 21 -28,-0.5 3,-1.8 -26,-0.3 181,-0.1 -0.870 26.0-119.0-120.3 152.9 32.3 -33.2 8.2 81 81 A R T 3 S+ 0 0 156 179,-0.4 -1,-0.1 -2,-0.3 180,-0.1 0.854 114.8 56.6 -56.5 -37.2 33.2 -29.8 9.5 82 82 A E T 3 S+ 0 0 107 2,-0.0 -1,-0.3 -28,-0.0 -27,-0.1 0.559 82.8 117.0 -72.4 -8.5 30.6 -30.3 12.3 83 83 A G < - 0 0 25 -3,-1.8 2,-0.4 -29,-0.2 -29,-0.2 -0.328 46.1-166.9 -63.1 139.8 32.3 -33.5 13.5 84 84 A S B -s 54 0J 47 -31,-2.0 -29,-2.3 -29,-0.1 -19,-0.1 -1.000 20.1-158.9-131.5 137.3 33.8 -33.5 17.0 85 85 A D S S+ 0 0 31 -2,-0.4 2,-0.3 -31,-0.2 -24,-0.2 0.599 72.5 53.3 -81.7 -15.0 36.2 -36.0 18.5 86 86 A V + 0 0 25 1,-0.1 -21,-0.1 -24,-0.1 -28,-0.1 -0.787 36.8 177.3-129.8 160.7 35.3 -35.2 22.1 87 87 A d S S+ 0 0 4 1,-0.7 -1,-0.1 -2,-0.3 42,-0.1 0.518 92.5 43.7-119.8 -69.4 32.7 -34.7 24.8 88 88 A Y S S- 0 0 9 1,-0.1 -1,-0.7 38,-0.0 133,-0.1 -0.653 115.3 -98.1 -67.2 132.2 34.8 -33.9 27.9 89 89 A P S S+ 0 0 3 0, 0.0 132,-1.3 0, 0.0 2,-0.3 -0.168 74.0 97.3 -66.5 150.5 37.3 -31.5 26.3 90 90 A G E -u 221 0L 22 130,-0.2 2,-0.3 -3,-0.1 132,-0.2 -0.974 48.5-122.6 165.2-173.2 40.7 -32.7 25.3 91 91 A K E -u 222 0L 134 130,-1.5 132,-2.0 -2,-0.3 2,-0.3 -0.992 20.0-103.9-160.7 158.8 42.8 -33.8 22.3 92 92 A F E > -u 223 0L 10 -2,-0.3 3,-0.7 130,-0.2 2,-0.3 -0.621 29.6-127.2 -80.9 138.1 45.0 -36.6 20.9 93 93 A V T 3 S+ 0 0 58 130,-2.4 132,-0.2 -2,-0.3 5,-0.1 -0.643 101.3 15.6 -74.4 143.0 48.8 -36.3 20.7 94 94 A N T 3> S+ 0 0 111 -2,-0.3 4,-1.6 3,-0.1 -1,-0.2 0.929 86.1 167.5 55.0 50.2 49.9 -37.0 17.1 95 95 A E H <> + 0 0 44 -3,-0.7 4,-2.0 1,-0.2 5,-0.1 0.890 63.9 48.7 -67.4 -43.2 46.3 -36.5 16.0 96 96 A E H > S+ 0 0 23 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.862 107.0 55.5 -71.7 -36.4 46.7 -36.2 12.2 97 97 A A H > S+ 0 0 35 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.940 110.1 47.8 -54.2 -47.2 48.9 -39.3 12.0 98 98 A L H X S+ 0 0 0 -4,-1.6 4,-2.3 1,-0.2 -2,-0.2 0.863 109.8 51.9 -65.3 -38.1 46.0 -41.2 13.7 99 99 A R H X S+ 0 0 11 -4,-2.0 4,-2.6 2,-0.2 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