==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=27-SEP-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER VIRAL PROTEIN 26-FEB-13 3ZP0 . COMPND 2 MOLECULE: HEMAGGLUTININ; . SOURCE 2 ORGANISM_SCIENTIFIC: INFLUENZA A VIRUS; . AUTHOR J.LIU,D.J.STEVENS,S.J.GAMBLIN,J.J.SKEHEL . 479 2 6 5 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 24286.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 302 63.0 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 . 96 20.0 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 . 10 2.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 38 7.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 31 6.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 91 19.0 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+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 0 0 1 0 3 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 1 RESIDUES PER ALPHA HELIX . 4 2 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 0 PARALLEL BRIDGES PER LADDER . 4 6 5 2 0 4 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 4 1 1 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 5 E D 0 0 54 0, 0.0 461,-2.5 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 134.9 -31.8 23.5 82.2 2 6 E Q E -AB 349 461A 64 347,-2.7 347,-2.2 459,-0.2 2,-0.4 -0.976 360.0-167.2-144.1 139.9 -33.1 24.3 78.8 3 7 E I E -AB 348 460A 1 457,-1.9 457,-2.6 -2,-0.3 2,-0.3 -0.992 18.6-171.3-127.6 143.3 -34.4 22.7 75.7 4 8 E a E -AB 347 459A 6 343,-2.4 343,-1.8 -2,-0.4 2,-0.4 -0.946 20.1-136.1-133.1 149.0 -34.9 24.6 72.4 5 9 E I E +A 346 0A 1 453,-2.4 2,-0.3 -2,-0.3 341,-0.2 -0.839 40.9 146.8-100.0 144.9 -36.4 24.0 69.0 6 10 E G E -A 345 0A 0 339,-1.9 339,-1.9 -2,-0.4 2,-0.3 -0.925 32.7-124.8-163.2-177.1 -34.4 25.2 66.0 7 11 E Y E -A 344 0A 0 -2,-0.3 329,-2.9 327,-0.3 337,-0.2 -0.908 34.6 -77.7-145.4 164.8 -33.5 24.6 62.4 8 12 E H B +e 336 0B 19 335,-2.2 2,-0.3 -2,-0.3 329,-0.2 -0.365 37.2 176.0 -70.1 133.2 -30.5 24.0 60.1 9 13 E A + 0 0 1 327,-1.6 2,-0.2 330,-0.3 330,-0.1 -0.888 8.0 167.2-121.9 164.3 -28.2 26.7 58.9 10 14 E N - 0 0 29 -2,-0.3 327,-0.1 310,-0.2 325,-0.1 -0.829 51.4 -85.4-153.5-164.1 -25.0 26.2 56.8 11 15 E N S S+ 0 0 154 -2,-0.2 16,-0.0 16,-0.1 326,-0.0 0.248 71.9 143.8 -98.1 13.2 -22.5 28.1 54.6 12 16 E S - 0 0 23 1,-0.1 -2,-0.1 15,-0.1 16,-0.1 -0.202 31.2-175.4 -60.0 144.4 -24.7 27.9 51.5 13 17 E T + 0 0 125 14,-0.1 -1,-0.1 12,-0.1 14,-0.1 0.434 40.9 125.0-121.3 -11.8 -24.6 30.9 49.3 14 18 E E - 0 0 91 12,-0.3 12,-2.4 13,-0.1 2,-0.4 -0.236 44.0-157.8 -56.4 139.1 -27.3 29.7 46.8 15 19 E Q E -F 25 0C 76 10,-0.3 2,-0.3 12,-0.0 10,-0.2 -0.938 9.2-167.9-126.1 143.5 -30.2 32.1 46.3 16 20 E V E -F 24 0C 0 8,-2.4 8,-2.8 -2,-0.4 2,-0.3 -0.921 17.1-126.8-127.9 156.6 -33.8 31.7 45.1 17 21 E D + 0 0 36 295,-0.4 2,-0.2 -2,-0.3 5,-0.2 -0.763 23.3 178.0 -99.8 146.8 -36.6 34.1 44.0 18 22 E T - 0 0 10 3,-2.7 406,-0.2 -2,-0.3 405,-0.1 -0.778 45.0 -99.0-128.9 178.5 -40.1 34.2 45.3 19 23 E I S S+ 0 0 96 404,-0.5 3,-0.1 -2,-0.2 405,-0.1 0.913 122.3 34.8 -65.9 -43.2 -43.1 36.6 44.5 20 24 E M S S+ 0 0 162 1,-0.2 2,-0.3 -3,-0.0 -1,-0.2 0.546 126.6 29.1 -88.5 -10.6 -42.5 38.8 47.6 21 25 E E - 0 0 88 3,-0.0 -3,-2.7 0, 0.0 2,-0.3 -0.970 61.1-151.6-158.8 135.3 -38.7 38.6 47.7 22 26 E K S S+ 0 0 158 -2,-0.3 -5,-0.2 -5,-0.2 -3,-0.0 -0.758 76.5 20.4-106.6 153.3 -35.7 38.1 45.4 23 27 E N + 0 0 92 -2,-0.3 2,-0.6 1,-0.2 -1,-0.2 0.941 68.8 175.7 53.9 56.1 -32.4 36.6 46.4 24 28 E V E -F 16 0C 2 -8,-2.8 -8,-2.4 -3,-0.3 2,-0.4 -0.826 30.1-130.4 -84.0 122.3 -33.4 34.6 49.4 25 29 E T E -F 15 0C 49 -2,-0.6 294,-2.4 -10,-0.2 2,-0.3 -0.669 30.9-168.9 -76.1 127.7 -30.3 32.7 50.6 26 30 E V B -G 318 0D 0 -12,-2.4 -12,-0.3 -2,-0.4 292,-0.2 -0.883 32.1-128.8-120.6 151.5 -31.3 29.0 51.1 27 31 E T S S+ 0 0 3 290,-2.7 2,-0.3 -2,-0.3 -13,-0.1 0.849 96.2 12.1 -62.9 -37.2 -29.5 26.1 52.7 28 32 E H + 0 0 71 289,-0.2 287,-2.1 -16,-0.1 288,-1.9 -0.992 68.7 168.7-144.8 150.6 -30.2 23.9 49.7 29 33 E A E -H 314 0E 17 -2,-0.3 2,-0.4 285,-0.3 285,-0.2 -0.921 23.7-136.0-151.6 166.3 -31.4 24.5 46.2 30 34 E Q E -H 313 0E 81 283,-2.5 283,-2.6 -2,-0.3 2,-0.3 -0.914 10.8-148.7-139.2 114.3 -31.8 22.7 42.8 31 35 E D E +H 312 0E 50 -2,-0.4 281,-0.2 281,-0.2 -2,-0.0 -0.625 16.8 177.8 -74.0 130.5 -30.9 24.3 39.5 32 36 E I + 0 0 0 279,-2.5 259,-1.9 -2,-0.3 2,-0.5 0.234 50.9 88.9-120.7 12.2 -33.1 22.9 36.8 33 37 E L E -i 291 0F 0 278,-0.5 2,-0.6 257,-0.1 259,-0.3 -0.954 65.5-143.7-118.2 121.1 -31.9 24.9 33.8 34 38 E E E +i 292 0F 31 257,-2.7 259,-1.7 -2,-0.5 260,-0.2 -0.743 23.3 171.4 -83.0 121.6 -29.1 23.7 31.5 35 39 E K + 0 0 89 -2,-0.6 2,-0.3 257,-0.2 -1,-0.1 0.539 50.6 80.9-107.0 -9.9 -27.1 26.8 30.5 36 40 E K + 0 0 166 250,-0.1 2,-0.3 2,-0.0 250,-0.2 -0.707 42.8 167.9-107.2 147.6 -24.2 25.0 28.8 37 41 E H - 0 0 67 -2,-0.3 248,-0.2 248,-0.1 246,-0.0 -0.932 38.7-122.5-141.8 165.9 -23.5 23.4 25.5 38 42 E N - 0 0 79 246,-1.4 245,-0.1 -2,-0.3 3,-0.1 0.715 39.2-128.3 -84.5 -23.0 -20.2 22.2 23.8 39 43 E G + 0 0 28 1,-0.3 2,-0.3 245,-0.3 244,-0.2 0.623 67.9 107.6 89.4 15.2 -20.5 24.4 20.7 40 44 E K S S- 0 0 101 244,-0.1 2,-0.6 229,-0.1 -1,-0.3 -0.773 72.0-116.3-119.8 161.5 -20.0 21.6 18.1 41 45 E L E -k 271 0G 0 229,-0.8 231,-3.1 -2,-0.3 233,-0.4 -0.918 47.8-178.7 -95.5 122.9 -22.0 19.7 15.6 42 46 E b E - 0 0 0 -2,-0.6 233,-0.3 229,-0.2 2,-0.0 -0.765 33.4 -86.9-122.8 161.5 -21.9 16.1 16.7 43 47 E D E -k 275 0G 28 231,-3.0 233,-2.6 -2,-0.3 2,-0.7 -0.376 41.4-129.6 -59.1 144.6 -23.2 12.6 15.7 44 48 E L E > S-kL 276 47G 21 3,-2.9 3,-1.2 1,-0.2 233,-0.2 -0.875 83.0 -23.9-106.4 103.5 -26.7 11.9 17.1 45 49 E D T 3 S- 0 0 98 231,-2.4 -1,-0.2 -2,-0.7 232,-0.1 0.904 127.4 -51.4 59.2 44.4 -26.7 8.5 18.8 46 50 E G T 3 S+ 0 0 49 230,-0.3 2,-0.5 1,-0.2 -1,-0.3 -0.037 115.8 118.2 87.7 -29.9 -23.6 7.5 16.8 47 51 E V B < -L 44 0G 56 -3,-1.2 -3,-2.9 -4,-0.1 -1,-0.2 -0.586 62.8-131.3 -80.7 120.0 -25.4 8.5 13.5 48 52 E K - 0 0 101 -2,-0.5 29,-1.2 -5,-0.2 2,-0.2 -0.366 16.6-120.5 -72.4 141.7 -23.5 11.2 11.6 49 53 E P - 0 0 3 0, 0.0 2,-1.1 0, 0.0 30,-0.2 -0.553 24.5-113.6 -75.7 147.6 -25.4 14.3 10.3 50 54 E L E -m 79 0H 13 28,-2.1 30,-2.4 -2,-0.2 2,-0.9 -0.739 36.2-165.0 -77.1 102.1 -25.3 15.1 6.6 51 55 E I E -m 80 0H 15 -2,-1.1 30,-0.1 28,-0.2 3,-0.1 -0.813 12.8-178.4 -96.9 101.0 -23.3 18.3 6.7 52 56 E L E > + 0 0 1 28,-2.1 3,-1.5 -2,-0.9 2,-0.3 0.820 12.0 178.5 -63.7 -35.5 -23.7 20.1 3.3 53 57 E R E 3 S+m 81 0H 123 27,-0.6 29,-0.9 1,-0.3 -1,-0.2 -0.510 74.2 3.2 62.2-125.2 -21.4 22.9 4.2 54 58 E D T 3 S+ 0 0 71 -2,-0.3 33,-1.1 -3,-0.1 -1,-0.3 0.772 117.4 87.6 -62.4 -35.1 -21.3 25.1 1.1 55 59 E c B < -o 87 0I 4 -3,-1.5 27,-0.3 31,-0.1 2,-0.2 -0.362 66.8-143.0 -67.1 147.4 -23.9 23.0 -0.9 56 60 E S > - 0 0 2 31,-1.4 4,-2.6 29,-0.1 5,-0.2 -0.553 31.5-102.1 -99.5 172.2 -27.7 23.6 -0.7 57 61 E V H > S+ 0 0 0 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.909 126.7 47.8 -61.2 -41.3 -30.4 21.0 -0.8 58 62 E A H > S+ 0 0 0 2,-0.2 4,-2.7 1,-0.2 5,-0.4 0.960 111.2 49.7 -60.1 -54.1 -31.1 21.9 -4.4 59 63 E G H >>S+ 0 0 0 1,-0.2 5,-2.9 2,-0.2 4,-0.8 0.859 115.6 45.5 -52.9 -40.3 -27.3 21.8 -5.2 60 64 E W H <5S+ 0 0 3 -4,-2.6 3,-0.4 3,-0.2 -2,-0.2 0.984 115.9 41.7 -68.3 -59.5 -27.1 18.4 -3.6 61 65 E L H <5S+ 0 0 0 -4,-2.8 -2,-0.2 1,-0.2 -3,-0.2 0.862 117.8 45.7 -60.9 -42.4 -30.3 16.7 -5.1 62 66 E L H <5S- 0 0 0 -4,-2.7 84,-1.8 -5,-0.2 85,-0.4 0.749 114.7-116.9 -71.6 -25.1 -29.8 18.1 -8.6 63 67 E G T <5 - 0 0 7 -4,-0.8 82,-3.4 -3,-0.4 -3,-0.2 0.908 29.0-156.5 86.0 49.2 -26.1 17.1 -8.5 64 68 E N > < - 0 0 0 -5,-2.9 3,-2.6 80,-0.3 -1,-0.1 -0.345 23.2-123.9 -49.2 130.3 -24.2 20.4 -8.8 65 69 E P G > S+ 0 0 1 0, 0.0 3,-0.5 0, 0.0 -1,-0.1 0.735 113.7 53.2 -53.3 -28.2 -20.7 19.6 -10.2 66 70 E M G 3 S+ 0 0 100 1,-0.2 3,-0.3 2,-0.1 -11,-0.1 0.479 97.5 69.4 -84.4 -5.0 -19.2 21.3 -7.2 67 71 E c G X + 0 0 5 -3,-2.6 3,-1.5 -8,-0.2 -1,-0.2 -0.095 57.0 124.9-106.4 33.2 -21.3 19.1 -4.9 68 72 E D G X + 0 0 42 -3,-0.5 3,-2.0 1,-0.3 4,-0.3 0.763 57.1 76.3 -66.1 -27.2 -19.5 15.9 -5.7 69 73 E E G 3 S+ 0 0 119 -3,-0.3 -1,-0.3 1,-0.3 3,-0.2 0.762 102.3 43.6 -51.5 -23.1 -18.8 15.2 -2.0 70 74 E F G < S+ 0 0 12 -3,-1.5 3,-0.3 1,-0.2 -1,-0.3 -0.026 70.4 116.8-119.4 28.5 -22.5 14.2 -1.9 71 75 E I S < S+ 0 0 79 -3,-2.0 2,-0.3 1,-0.3 -1,-0.2 0.880 97.5 12.4 -61.2 -39.7 -22.9 12.1 -5.0 72 76 E N S S- 0 0 112 -4,-0.3 -1,-0.3 -3,-0.2 40,-0.1 -0.925 81.8-172.0-142.6 117.4 -23.7 9.2 -2.6 73 77 E V - 0 0 18 -2,-0.3 38,-0.2 -3,-0.3 3,-0.1 -0.858 21.1-124.1-115.5 139.9 -24.4 9.8 1.0 74 78 E P - 0 0 107 0, 0.0 37,-0.1 0, 0.0 -1,-0.0 -0.291 52.8 -74.4 -68.8 164.9 -24.8 7.4 3.9 75 79 E E - 0 0 93 35,-0.1 2,-0.2 1,-0.1 35,-0.2 -0.321 58.1-148.9 -56.5 142.9 -28.0 7.6 6.0 76 80 E W - 0 0 2 33,-2.3 3,-0.1 1,-0.1 -28,-0.1 -0.727 23.5-143.1-115.8 164.7 -28.0 10.7 8.2 77 81 E S S S- 0 0 7 -29,-1.2 2,-0.3 1,-0.4 186,-0.2 0.801 87.4 -17.8 -89.0 -40.6 -29.4 11.6 11.6 78 82 E Y - 0 0 0 184,-0.2 -28,-2.1 -30,-0.2 -1,-0.4 -0.965 69.0-112.7-159.8 163.4 -30.1 15.2 10.6 79 83 E I E -m 50 0H 0 184,-3.9 2,-0.4 -2,-0.3 -28,-0.2 -0.788 18.9-159.1-107.6 148.4 -29.1 17.6 7.9 80 84 E V E +m 51 0H 2 -30,-2.4 -28,-2.1 -2,-0.3 -27,-0.6 -0.991 15.0 170.4-130.2 127.1 -27.1 20.9 8.2 81 85 E E E -mn 53 266H 2 184,-2.2 186,-1.9 183,-0.4 -27,-0.1 -0.957 30.0-118.9-133.2 144.6 -27.2 23.7 5.7 82 86 E K - 0 0 40 -29,-0.9 186,-0.1 -27,-0.3 -30,-0.0 -0.316 29.4-109.8 -77.1 168.4 -25.7 27.2 5.9 83 87 E A S S+ 0 0 50 1,-0.3 -1,-0.1 -2,-0.1 185,-0.0 0.905 112.1 15.5 -66.0 -42.9 -27.9 30.4 5.7 84 88 E N S S- 0 0 147 -28,-0.0 -1,-0.3 0, 0.0 2,-0.2 -0.674 80.5-164.0-134.9 82.0 -26.5 31.3 2.3 85 89 E P - 0 0 23 0, 0.0 3,-0.2 0, 0.0 -31,-0.1 -0.475 13.1-146.7 -69.8 129.7 -24.7 28.3 0.6 86 90 E V S S+ 0 0 110 1,-0.2 2,-1.6 -2,-0.2 -31,-0.1 0.867 87.1 67.1 -63.2 -41.5 -22.6 29.4 -2.3 87 91 E N B S+o 55 0I 38 -33,-1.1 -31,-1.4 -21,-0.1 2,-0.4 -0.524 71.8 120.7 -86.7 71.6 -23.1 26.2 -4.3 88 92 E D S S- 0 0 54 -2,-1.6 -31,-0.0 -33,-0.2 -33,-0.0 -0.995 80.1 -13.3-132.3 129.8 -26.8 26.4 -5.2 89 93 E L - 0 0 21 -2,-0.4 4,-0.1 1,-0.1 -1,-0.1 0.916 66.4-172.2 50.8 51.1 -28.4 26.5 -8.6 90 94 E d S S+ 0 0 11 2,-0.1 -1,-0.1 -3,-0.1 -2,-0.1 0.884 79.4 54.5 -44.2 -53.6 -25.1 27.1 -10.4 91 95 E Y S S- 0 0 8 1,-0.1 135,-0.1 44,-0.1 129,-0.1 -0.817 112.0-110.0 -79.3 121.4 -27.0 27.7 -13.6 92 96 E P + 0 0 4 0, 0.0 134,-1.7 0, 0.0 2,-0.3 -0.060 68.5 84.5 -57.2 150.4 -29.5 30.4 -12.6 93 97 E G E -p 226 0J 20 132,-0.3 2,-0.3 -4,-0.1 134,-0.2 -0.978 67.1 -63.1 163.5-143.4 -33.3 29.7 -12.2 94 98 E D E -p 227 0J 101 132,-2.1 134,-2.3 -2,-0.3 2,-0.5 -0.957 20.9-139.7-139.2 158.0 -35.9 28.4 -9.8 95 99 E F E > -p 228 0J 18 -2,-0.3 3,-1.3 132,-0.2 134,-0.2 -0.965 32.3-130.9-118.8 108.6 -36.7 25.2 -8.0 96 100 E N T 3 S- 0 0 58 132,-2.7 134,-0.1 -2,-0.5 -2,-0.0 -0.401 84.7 -2.5 -68.0 132.4 -40.5 24.7 -8.0 97 101 E D T 3> S+ 0 0 92 -2,-0.1 4,-1.3 132,-0.1 -1,-0.3 0.852 83.1 159.5 52.4 41.4 -42.1 23.8 -4.6 98 102 E Y H <> + 0 0 31 -3,-1.3 4,-2.5 1,-0.2 3,-0.2 0.893 67.8 47.7 -56.4 -46.5 -38.6 23.9 -3.1 99 103 E E H > S+ 0 0 36 1,-0.2 4,-2.2 2,-0.2 292,-0.2 0.844 108.0 53.8 -70.5 -36.0 -39.8 24.4 0.5 100 104 E E H > S+ 0 0 128 2,-0.2 4,-0.9 1,-0.2 -1,-0.2 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