==== 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 3ZP6 . COMPND 2 MOLECULE: HAEMAGGLUTININ; . SOURCE 2 ORGANISM_SCIENTIFIC: INFLUENZA A VIRUS; . AUTHOR J.LIU,D.J.STEVENS,S.J.GAMBLIN,J.J.SKEHEL . 479 2 5 4 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 24491.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 311 64.9 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 . 95 19.8 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 . 44 9.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 30 6.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 92 19.2 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+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 2 1 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 . 3 3 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 . 3 5 6 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 56 0, 0.0 461,-2.9 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 134.5 -31.9 35.1 -7.3 2 6 E Q E -AB 349 461A 64 347,-2.5 347,-2.0 459,-0.2 2,-0.4 -0.983 360.0-168.1-142.8 134.5 -33.1 34.2 -3.9 3 7 E I E -AB 348 460A 0 457,-2.2 457,-2.7 -2,-0.4 2,-0.3 -0.989 16.9-169.9-124.6 140.5 -34.5 35.8 -0.7 4 8 E a E -AB 347 459A 6 343,-2.9 343,-1.7 -2,-0.4 2,-0.4 -0.913 19.5-137.8-129.3 150.0 -34.9 33.9 2.6 5 9 E I E +A 346 0A 1 453,-2.0 2,-0.3 -2,-0.3 341,-0.2 -0.883 41.7 145.4-103.7 142.8 -36.5 34.5 6.0 6 10 E G E -A 345 0A 0 339,-1.9 339,-2.0 -2,-0.4 2,-0.3 -0.924 32.5-124.4-164.6-178.5 -34.5 33.3 9.0 7 11 E Y E -A 344 0A 1 327,-0.3 329,-3.0 -2,-0.3 337,-0.2 -0.907 34.1 -74.1-144.7 163.3 -33.5 34.0 12.5 8 12 E H B +e 336 0B 16 335,-2.3 2,-0.3 -2,-0.3 329,-0.2 -0.322 38.2 174.6 -61.8 129.6 -30.6 34.5 14.9 9 13 E A + 0 0 1 327,-1.5 2,-0.2 330,-0.2 330,-0.2 -0.859 8.7 165.6-119.2 167.4 -28.2 31.8 16.1 10 14 E N - 0 0 29 -2,-0.3 327,-0.1 310,-0.2 325,-0.1 -0.873 51.7 -85.1-159.1-166.9 -25.1 32.3 18.3 11 15 E N S S+ 0 0 152 -2,-0.2 16,-0.0 16,-0.1 326,-0.0 0.361 72.9 139.8 -96.4 6.2 -22.5 30.5 20.4 12 16 E S - 0 0 27 1,-0.1 -2,-0.2 15,-0.1 16,-0.1 -0.138 32.0-176.7 -53.8 142.3 -24.7 30.6 23.5 13 17 E T + 0 0 125 14,-0.1 -1,-0.1 12,-0.1 14,-0.1 0.344 40.0 128.2-125.4 -6.1 -24.7 27.5 25.6 14 18 E E - 0 0 77 12,-0.3 12,-2.4 13,-0.1 2,-0.3 -0.283 43.2-156.7 -51.9 133.7 -27.4 28.8 28.1 15 19 E Q E -F 25 0C 73 10,-0.2 2,-0.3 12,-0.0 10,-0.2 -0.921 10.4-170.1-120.7 146.5 -30.3 26.4 28.7 16 20 E V E -F 24 0C 0 8,-2.5 8,-2.6 -2,-0.3 2,-0.3 -0.880 18.2-124.7-129.2 161.6 -33.9 26.9 29.9 17 21 E D - 0 0 35 295,-0.5 2,-0.3 -2,-0.3 5,-0.2 -0.852 22.1-179.6-109.6 146.4 -36.7 24.6 30.9 18 22 E T - 0 0 8 3,-2.8 406,-0.2 -2,-0.3 405,-0.1 -0.798 42.9-105.4-129.3 168.3 -40.2 24.3 29.6 19 23 E I S S+ 0 0 94 404,-0.6 405,-0.1 -2,-0.3 3,-0.1 0.921 121.1 37.3 -62.1 -46.0 -43.1 22.0 30.6 20 24 E M S S+ 0 0 161 1,-0.2 2,-0.4 403,-0.2 -1,-0.2 0.794 125.9 27.0 -71.0 -36.2 -42.7 19.9 27.4 21 25 E E - 0 0 85 3,-0.0 -3,-2.8 0, 0.0 2,-0.3 -0.991 63.1-151.3-139.1 145.6 -38.9 20.0 27.1 22 26 E K S S+ 0 0 157 -2,-0.4 -5,-0.2 -5,-0.2 -3,-0.0 -0.774 73.9 19.6-115.1 154.6 -35.9 20.3 29.4 23 27 E N S S+ 0 0 92 -2,-0.3 2,-0.5 1,-0.2 -1,-0.2 0.910 72.7 175.3 56.0 46.8 -32.4 21.8 28.7 24 28 E V E -F 16 0C 3 -8,-2.6 -8,-2.5 -3,-0.3 2,-0.4 -0.759 28.0-130.6 -84.1 125.8 -33.4 23.8 25.7 25 29 E T E -F 15 0C 47 -2,-0.5 294,-2.5 -10,-0.2 2,-0.3 -0.626 29.2-171.7 -80.4 130.6 -30.5 25.9 24.4 26 30 E V B -G 318 0D 0 -12,-2.4 -12,-0.3 -2,-0.4 292,-0.2 -0.868 34.0-127.6-125.0 152.2 -31.4 29.5 23.8 27 31 E T S S+ 0 0 3 290,-2.5 2,-0.3 -2,-0.3 -15,-0.1 0.809 96.9 10.7 -65.0 -32.1 -29.6 32.4 22.2 28 32 E H + 0 0 73 289,-0.2 287,-2.0 -16,-0.1 288,-2.0 -0.992 68.3 170.4-151.3 147.9 -30.3 34.6 25.3 29 33 E A E -H 314 0E 22 -2,-0.3 2,-0.4 285,-0.3 285,-0.2 -0.945 24.0-133.7-153.0 162.8 -31.6 34.0 28.9 30 34 E Q E -H 313 0E 80 283,-2.9 283,-2.7 -2,-0.3 2,-0.3 -0.924 10.8-151.2-134.5 112.1 -32.0 35.7 32.2 31 35 E D E +H 312 0E 50 -2,-0.4 281,-0.2 281,-0.2 -2,-0.0 -0.636 16.0 177.6 -75.3 130.2 -31.0 34.1 35.5 32 36 E I + 0 0 1 279,-2.4 259,-2.0 -2,-0.3 2,-0.5 0.231 49.4 92.0-121.9 8.4 -33.2 35.6 38.3 33 37 E L E -i 291 0F 0 278,-0.5 2,-0.5 257,-0.1 259,-0.3 -0.937 64.6-144.0-113.5 121.2 -32.0 33.6 41.2 34 38 E E E +i 292 0F 30 257,-3.1 259,-1.7 -2,-0.5 260,-0.2 -0.732 23.7 171.2 -81.3 123.2 -29.2 34.8 43.5 35 39 E K + 0 0 88 -2,-0.5 2,-0.3 257,-0.2 -1,-0.1 0.534 48.8 78.6-111.0 -8.2 -27.2 31.8 44.6 36 40 E K + 0 0 165 250,-0.1 250,-0.3 2,-0.0 2,-0.3 -0.789 42.9 170.7-112.5 143.8 -24.2 33.4 46.4 37 41 E H - 0 0 71 -2,-0.3 248,-0.2 248,-0.1 246,-0.1 -0.844 38.6-120.6-130.9 173.4 -23.6 35.0 49.7 38 42 E N - 0 0 78 246,-1.3 245,-0.1 -2,-0.3 3,-0.1 0.617 39.2-125.3 -92.6 -14.6 -20.3 36.2 51.3 39 43 E G S S+ 0 0 28 1,-0.3 2,-0.3 245,-0.3 244,-0.2 0.640 71.9 109.0 83.4 16.2 -20.5 33.9 54.4 40 44 E K S S- 0 0 101 244,-0.1 2,-0.5 229,-0.1 -1,-0.3 -0.859 70.5-122.6-124.7 153.7 -20.1 36.8 56.8 41 45 E L E +k 271 0G 0 229,-0.8 231,-2.4 -2,-0.3 233,-0.4 -0.871 45.9 176.6 -91.1 129.9 -22.2 38.7 59.4 42 46 E b E - 0 0 0 -2,-0.5 233,-0.2 229,-0.2 2,-0.1 -0.761 34.0 -82.6-130.7 169.6 -22.1 42.4 58.3 43 47 E D E -k 275 0G 27 231,-2.9 233,-2.0 -2,-0.2 2,-0.6 -0.405 39.3-130.8 -68.8 153.0 -23.4 45.8 59.2 44 48 E L E > S-kL 276 47G 25 3,-2.2 3,-1.0 1,-0.2 233,-0.2 -0.887 84.8 -21.1-114.7 102.6 -26.9 46.7 57.9 45 49 E D T 3 S- 0 0 110 231,-2.1 -1,-0.2 -2,-0.6 232,-0.1 0.873 128.9 -52.6 61.7 40.9 -26.9 50.1 56.2 46 50 E G T 3 S+ 0 0 48 230,-0.3 2,-0.6 1,-0.2 -1,-0.2 0.054 114.7 120.9 88.2 -23.6 -23.8 51.0 58.2 47 51 E V B < -L 44 0G 60 -3,-1.0 -3,-2.2 1,-0.1 30,-0.2 -0.659 60.6-131.6 -86.4 111.2 -25.4 50.0 61.5 48 52 E K - 0 0 101 -2,-0.6 29,-1.1 -5,-0.2 2,-0.2 -0.181 17.7-119.3 -60.3 142.8 -23.6 47.2 63.4 49 53 E P - 0 0 4 0, 0.0 2,-1.1 0, 0.0 30,-0.2 -0.508 24.0-112.1 -75.8 152.4 -25.5 44.1 64.8 50 54 E L E -m 79 0H 12 28,-2.1 30,-2.7 -2,-0.2 2,-0.8 -0.777 38.6-167.7 -80.2 100.4 -25.5 43.3 68.5 51 55 E I E -m 80 0H 17 -2,-1.1 30,-0.1 28,-0.2 220,-0.1 -0.839 10.5-173.9 -99.6 104.2 -23.4 40.1 68.4 52 56 E L > - 0 0 1 28,-2.2 3,-1.9 -2,-0.8 2,-0.3 0.720 9.2-175.3 -66.3 -29.0 -23.7 38.3 71.7 53 57 E R T 3 S- 0 0 139 27,-0.4 29,-0.8 1,-0.3 -1,-0.2 -0.503 76.2 -1.7 63.1-125.5 -21.2 35.5 71.1 54 58 E D T 3 S+ 0 0 72 -2,-0.3 33,-2.2 31,-0.1 -1,-0.3 0.559 117.4 92.9 -72.1 -14.3 -21.3 33.3 74.1 55 59 E c B < -o 87 0I 3 -3,-1.9 27,-0.3 31,-0.2 2,-0.2 -0.562 64.1-142.1 -87.8 151.6 -23.9 35.3 75.9 56 60 E S > - 0 0 2 31,-1.5 4,-2.6 -2,-0.2 5,-0.2 -0.591 30.1-105.8-101.5 167.9 -27.7 34.8 75.8 57 61 E V H > S+ 0 0 0 2,-0.2 4,-2.3 -2,-0.2 5,-0.2 0.869 126.5 46.6 -60.3 -36.8 -30.5 37.4 75.7 58 62 E A H > S+ 0 0 0 2,-0.2 4,-2.5 1,-0.2 5,-0.4 0.960 111.5 49.6 -65.6 -54.2 -31.2 36.4 79.4 59 63 E G H >>S+ 0 0 0 1,-0.2 5,-2.5 2,-0.2 4,-0.8 0.825 115.2 46.6 -53.3 -35.6 -27.5 36.6 80.3 60 64 E W H <5S+ 0 0 4 -4,-2.6 -1,-0.2 3,-0.2 -2,-0.2 0.955 114.6 42.5 -73.5 -52.6 -27.3 40.0 78.7 61 65 E L H <5S+ 0 0 0 -4,-2.3 -2,-0.2 1,-0.2 -3,-0.2 0.894 118.0 44.2 -66.9 -43.4 -30.4 41.6 80.2 62 66 E L H <5S- 0 0 0 -4,-2.5 84,-1.8 -5,-0.2 85,-0.4 0.763 115.0-115.9 -70.3 -29.2 -29.9 40.3 83.7 63 67 E G T <5 - 0 0 8 -4,-0.8 82,-2.9 -5,-0.4 -3,-0.2 0.876 29.8-161.6 92.8 44.1 -26.2 41.2 83.6 64 68 E N > < - 0 0 2 -5,-2.5 3,-2.8 80,-0.2 -1,-0.1 -0.378 26.5-125.6 -47.9 125.7 -24.3 37.9 83.9 65 69 E P G > S+ 0 0 2 0, 0.0 3,-0.6 0, 0.0 -1,-0.2 0.660 110.8 60.5 -58.0 -19.0 -20.8 39.1 84.9 66 70 E M G 3 S+ 0 0 97 1,-0.2 3,-0.3 2,-0.1 -2,-0.1 0.523 95.5 65.4 -81.7 -8.1 -19.3 37.2 82.0 67 71 E c G X + 0 0 6 -3,-2.8 3,-1.4 -8,-0.2 -1,-0.2 -0.175 60.3 125.7-105.6 36.3 -21.5 39.5 79.7 68 72 E D G X + 0 0 40 -3,-0.6 3,-2.0 1,-0.3 4,-0.3 0.822 60.0 73.1 -65.0 -32.3 -19.6 42.6 80.7 69 73 E E G 3 S+ 0 0 115 -3,-0.3 3,-0.3 1,-0.3 -1,-0.3 0.742 100.0 48.2 -48.4 -25.6 -19.0 43.4 77.0 70 74 E F G < S+ 0 0 10 -3,-1.4 3,-0.3 1,-0.2 -1,-0.3 -0.098 71.5 110.4-117.1 32.5 -22.6 44.3 76.9 71 75 E I S < S+ 0 0 87 -3,-2.0 2,-0.3 1,-0.3 -1,-0.2 0.879 97.5 16.2 -65.1 -41.9 -22.9 46.6 79.9 72 76 E N S S+ 0 0 122 -4,-0.3 -1,-0.3 -3,-0.3 40,-0.1 -0.877 80.1 179.2-141.6 105.1 -23.5 49.4 77.5 73 77 E V - 0 0 19 -2,-0.3 38,-0.3 -3,-0.3 3,-0.1 -0.843 20.7-129.8-111.6 139.0 -24.4 48.7 73.9 74 78 E P - 0 0 103 0, 0.0 37,-0.1 0, 0.0 -1,-0.1 -0.210 51.5 -59.3 -75.7 172.8 -25.1 51.1 71.1 75 79 E E - 0 0 96 35,-0.1 2,-0.3 1,-0.1 35,-0.2 -0.254 61.4-154.7 -44.7 131.0 -28.1 51.1 68.7 76 80 E W - 0 0 2 33,-2.9 3,-0.1 1,-0.1 -28,-0.1 -0.827 22.5-152.3-113.5 156.6 -28.2 47.8 66.8 77 81 E S S S- 0 0 9 -29,-1.1 2,-0.3 1,-0.4 186,-0.2 0.848 82.5 -15.0 -87.0 -46.6 -29.7 46.9 63.5 78 82 E Y - 0 0 0 184,-0.2 -28,-2.1 -30,-0.1 -1,-0.4 -0.958 69.7-114.5-152.9 164.4 -30.3 43.2 64.4 79 83 E I E -mn 50 264H 0 184,-3.1 186,-2.9 -2,-0.3 2,-0.4 -0.815 17.2-157.7-110.7 144.9 -29.2 40.8 67.1 80 84 E V E +mn 51 265H 3 -30,-2.7 -28,-2.2 -2,-0.3 -27,-0.4 -0.985 15.8 170.1-124.4 127.9 -27.1 37.6 66.8 81 85 E E E - n 0 266H 6 184,-2.4 186,-1.4 -2,-0.4 -27,-0.1 -0.994 30.7-118.6-136.7 138.4 -27.2 34.7 69.3 82 86 E K - 0 0 46 -29,-0.8 186,-0.1 -2,-0.4 -30,-0.0 -0.255 31.2-107.9 -68.6 162.2 -25.7 31.2 69.1 83 87 E A S S+ 0 0 51 1,-0.3 -1,-0.1 183,-0.0 185,-0.0 0.952 112.4 14.0 -55.0 -52.6 -27.9 28.1 69.2 84 88 E N S S- 0 0 147 -28,-0.0 -1,-0.3 0, 0.0 2,-0.2 -0.767 80.7-160.2-129.9 87.2 -26.7 27.2 72.7 85 89 E P - 0 0 28 0, 0.0 3,-0.2 0, 0.0 -31,-0.1 -0.492 10.3-148.9 -69.2 130.7 -24.9 30.2 74.4 86 90 E V S S+ 0 0 108 -2,-0.2 2,-1.4 1,-0.2 -31,-0.2 0.838 86.4 66.9 -65.5 -40.1 -22.7 29.1 77.4 87 91 E N B S+o 55 0I 37 -33,-2.2 -31,-1.5 -21,-0.1 2,-0.4 -0.557 70.5 120.4 -88.7 72.8 -23.2 32.3 79.3 88 92 E D S S- 0 0 57 -2,-1.4 -31,-0.0 -33,-0.2 -33,-0.0 -0.999 80.5 -15.7-129.9 130.5 -26.9 32.1 80.2 89 93 E L - 0 0 20 -2,-0.4 -1,-0.2 1,-0.1 4,-0.1 0.902 63.7-169.3 49.5 62.8 -28.3 32.2 83.7 90 94 E C S S+ 0 0 13 2,-0.1 -1,-0.1 -3,-0.1 -2,-0.0 0.879 80.7 55.0 -60.1 -43.7 -25.1 31.3 85.6 91 95 E Y S S- 0 0 8 1,-0.1 135,-0.2 44,-0.1 129,-0.1 -0.868 110.9-112.3 -82.2 119.3 -27.1 30.7 88.8 92 96 E P + 0 0 7 0, 0.0 134,-1.9 0, 0.0 2,-0.3 -0.037 66.5 88.5 -59.9 155.4 -29.6 28.1 87.6 93 97 E G E -p 226 0J 21 132,-0.3 2,-0.3 -4,-0.1 134,-0.2 -0.970 65.7 -60.2 162.9-143.0 -33.3 28.8 87.3 94 98 E D E -p 227 0J 101 132,-2.2 134,-2.6 -2,-0.3 2,-0.5 -0.943 21.1-140.0-137.9 157.5 -36.0 30.1 84.9 95 99 E F E > -p 228 0J 20 -2,-0.3 3,-1.1 132,-0.2 134,-0.2 -0.949 32.5-132.0-119.1 106.1 -36.8 33.3 83.0 96 100 E N T 3 S- 0 0 58 132,-2.7 134,-0.1 -2,-0.5 -2,-0.0 -0.336 83.4 -2.7 -63.6 135.7 -40.5 33.9 83.1 97 101 E D T 3> S+ 0 0 96 1,-0.1 4,-1.0 3,-0.1 -1,-0.3 0.867 84.2 158.5 47.7 46.3 -42.2 34.7 79.7 98 102 E Y H <> + 0 0 33 -3,-1.1 4,-2.4 1,-0.2 3,-0.3 0.885 65.2 50.5 -65.5 -44.7 -38.8 34.6 78.1 99 103 E E H > S+ 0 0 40 1,-0.2 4,-1.7 2,-0.2 292,-0.2 0.847 107.1 53.9 -66.7 -36.5 -40.0 34.0 74.5 100 104 E E H > S+ 0 0 122 2,-0.2 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