==== 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 27-FEB-13 3ZPB . COMPND 2 MOLECULE: HAEMAGGLUTININ; . SOURCE 2 ORGANISM_SCIENTIFIC: INFLUENZA A VIRUS; . AUTHOR J.LIU,D.J.STEVENS,S.J.GAMBLIN,J.J.SKEHEL . 478 3 6 4 2 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 24214.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 302 63.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 28 5.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 95 19.9 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 . 41 8.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 32 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 90 18.8 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 2 0 2 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 . 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 . 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 57 0, 0.0 461,-3.1 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 136.8 -31.7 23.7 82.1 2 6 E Q E -AB 349 461A 60 347,-2.1 347,-1.6 459,-0.3 2,-0.4 -0.998 360.0-161.6-150.8 132.6 -33.2 24.5 78.7 3 7 E I E -AB 348 460A 0 457,-2.3 457,-2.9 -2,-0.3 2,-0.4 -0.984 18.3-166.7-123.8 142.9 -34.4 22.8 75.5 4 8 E a E -AB 347 459A 6 343,-2.9 343,-2.1 -2,-0.4 2,-0.4 -0.942 18.6-137.9-131.0 140.0 -34.8 24.7 72.3 5 9 E I E +A 346 0A 1 453,-2.9 2,-0.3 -2,-0.4 341,-0.2 -0.800 42.6 145.2 -92.7 144.6 -36.4 24.1 68.9 6 10 E G E -A 345 0A 0 339,-2.2 339,-1.8 -2,-0.4 2,-0.3 -0.905 31.6-128.1-163.2-174.9 -34.3 25.3 65.9 7 11 E Y E -A 344 0A 1 327,-0.3 329,-2.8 -2,-0.3 337,-0.2 -0.932 33.0 -70.8-150.7 168.1 -33.3 24.7 62.3 8 12 E H B +e 336 0B 21 335,-2.3 2,-0.3 -2,-0.3 312,-0.2 -0.257 36.8 171.7 -67.6 135.7 -30.4 24.3 59.9 9 13 E A + 0 0 1 327,-1.6 2,-0.2 330,-0.2 330,-0.1 -0.897 8.3 167.2-127.1 163.9 -28.1 27.0 58.7 10 14 E N - 0 0 31 -2,-0.3 327,-0.1 310,-0.2 325,-0.1 -0.765 51.3 -86.0-152.9-154.8 -25.0 26.4 56.7 11 15 E N S S+ 0 0 147 -2,-0.2 2,-0.1 16,-0.1 16,-0.0 0.063 70.5 145.5-117.4 21.3 -22.6 28.4 54.6 12 16 E S - 0 0 26 1,-0.1 -2,-0.1 13,-0.0 16,-0.1 -0.310 31.3-174.9 -65.8 151.0 -24.6 28.3 51.5 13 17 E T + 0 0 125 14,-0.1 -1,-0.1 2,-0.1 14,-0.1 0.401 42.7 124.7-131.8 -17.3 -24.6 31.3 49.3 14 18 E E - 0 0 83 12,-0.3 12,-2.7 13,-0.1 2,-0.3 -0.267 42.9-161.4 -51.4 131.2 -27.2 30.0 46.8 15 19 E Q E -F 25 0C 74 10,-0.3 2,-0.3 12,-0.0 10,-0.2 -0.920 9.0-172.8-121.8 146.3 -30.2 32.4 46.3 16 20 E V E -F 24 0C 0 8,-2.3 8,-2.7 -2,-0.3 2,-0.3 -0.919 20.8-119.2-132.3 161.0 -33.7 31.7 44.9 17 21 E D - 0 0 34 295,-0.4 2,-0.3 -2,-0.3 5,-0.2 -0.709 22.5-175.5-102.8 150.0 -36.5 34.1 44.0 18 22 E T - 0 0 9 3,-2.8 406,-0.2 -2,-0.3 405,-0.1 -0.797 42.2-102.9-127.7 174.7 -40.1 34.2 45.3 19 23 E I S S+ 0 0 95 404,-0.5 3,-0.1 -2,-0.3 405,-0.1 0.894 122.6 35.1 -64.6 -38.5 -43.1 36.4 44.3 20 24 E M S S+ 0 0 161 1,-0.2 2,-0.3 403,-0.2 -1,-0.2 0.559 125.3 29.1 -93.9 -10.9 -42.6 38.6 47.4 21 25 E E - 0 0 87 3,-0.0 -3,-2.8 -3,-0.0 3,-0.3 -0.975 63.2-145.1-157.8 136.6 -38.8 38.6 47.6 22 26 E K S S+ 0 0 161 -2,-0.3 -5,-0.2 -5,-0.2 -6,-0.0 -0.675 77.0 13.4-104.5 155.4 -35.8 38.3 45.4 23 27 E N S S+ 0 0 89 -2,-0.3 2,-0.4 1,-0.2 -1,-0.2 0.924 71.6 178.3 45.1 58.4 -32.4 36.7 46.1 24 28 E V E -F 16 0C 2 -8,-2.7 -8,-2.3 -3,-0.3 2,-0.5 -0.771 29.0-125.7 -81.7 130.5 -33.5 34.8 49.3 25 29 E T E -F 15 0C 47 -2,-0.4 294,-2.7 -10,-0.2 2,-0.4 -0.711 31.5-167.5 -83.6 127.6 -30.5 32.9 50.5 26 30 E V B -G 318 0D 0 -12,-2.7 -12,-0.3 -2,-0.5 292,-0.2 -0.889 33.5-133.4-118.3 142.4 -31.2 29.2 51.0 27 31 E T S S+ 0 0 2 290,-2.6 2,-0.3 -2,-0.4 -16,-0.1 0.845 97.7 12.6 -45.3 -41.0 -29.4 26.2 52.7 28 32 E H + 0 0 70 289,-0.3 287,-2.2 -16,-0.1 288,-1.5 -0.995 67.3 172.7-149.3 152.3 -30.1 24.1 49.5 29 33 E A E -H 314 0E 18 -2,-0.3 2,-0.5 285,-0.3 285,-0.2 -0.974 23.2-138.3-155.2 152.2 -31.3 24.7 46.0 30 34 E Q E -H 313 0E 82 283,-3.6 283,-2.4 -2,-0.3 2,-0.4 -0.867 12.4-153.9-129.0 104.5 -31.8 22.9 42.7 31 35 E D E -H 312 0E 52 -2,-0.5 281,-0.2 281,-0.2 -2,-0.0 -0.590 14.1-179.8 -69.3 126.9 -30.8 24.6 39.5 32 36 E I + 0 0 1 279,-2.5 259,-1.9 -2,-0.4 2,-0.5 0.288 47.5 93.4-117.2 7.9 -33.0 23.0 36.7 33 37 E L E -i 291 0F 0 278,-0.6 2,-0.6 257,-0.1 259,-0.3 -0.893 63.7-143.3-107.2 129.7 -31.7 24.9 33.7 34 38 E E E +i 292 0F 21 257,-2.8 259,-1.6 -2,-0.5 260,-0.2 -0.825 25.5 169.2 -85.1 125.9 -29.0 23.7 31.4 35 39 E K + 0 0 91 -2,-0.6 2,-0.4 257,-0.2 -1,-0.1 0.496 48.4 81.9-114.0 -6.7 -27.0 26.7 30.3 36 40 E K + 0 0 167 250,-0.1 250,-0.4 2,-0.0 2,-0.2 -0.852 43.6 167.8-114.7 131.1 -24.0 25.0 28.7 37 41 E H - 0 0 72 -2,-0.4 248,-0.2 248,-0.1 246,-0.1 -0.650 39.8-120.3-119.3-174.7 -23.4 23.4 25.3 38 42 E N - 0 0 72 246,-1.3 245,-0.1 -2,-0.2 3,-0.1 0.532 37.0-131.4-107.9 -7.2 -20.2 22.2 23.6 39 43 E G + 0 0 28 245,-0.3 2,-0.2 1,-0.3 244,-0.2 0.637 69.2 105.9 76.8 15.0 -20.5 24.5 20.6 40 44 E K S S- 0 0 100 244,-0.1 2,-0.5 229,-0.1 240,-0.3 -0.738 73.7-116.7-119.1 163.5 -20.0 21.8 18.1 41 45 E L E -k 271 0G 0 229,-0.7 231,-3.3 -2,-0.2 233,-0.3 -0.941 46.3-179.4 -98.1 126.9 -22.0 19.8 15.6 42 46 E b E - 0 0 0 -2,-0.5 233,-0.2 229,-0.2 2,-0.1 -0.827 34.2 -87.0-125.6 161.7 -21.9 16.1 16.7 43 47 E D E -k 275 0G 29 231,-3.2 233,-2.2 -2,-0.3 2,-0.8 -0.397 42.9-128.1 -61.4 145.1 -23.1 12.7 15.6 44 48 E L E > S-kL 276 47G 20 3,-3.2 3,-1.1 231,-0.2 233,-0.2 -0.829 82.0 -23.5-106.2 95.9 -26.6 12.0 17.0 45 49 E D T 3 S- 0 0 113 231,-2.2 -1,-0.2 -2,-0.8 232,-0.1 0.831 127.5 -51.1 77.1 31.7 -26.6 8.7 18.9 46 50 E G T 3 S+ 0 0 50 230,-0.3 2,-0.4 1,-0.2 -1,-0.3 -0.115 118.0 117.5 95.8 -30.1 -23.6 7.5 16.8 47 51 E V B < -L 44 0G 58 -3,-1.1 -3,-3.2 -4,-0.1 -1,-0.2 -0.585 62.3-133.2 -79.7 119.5 -25.5 8.5 13.6 48 52 E K - 0 0 100 -2,-0.4 29,-1.0 -5,-0.3 2,-0.2 -0.433 14.4-124.9 -76.6 137.2 -23.7 11.3 11.6 49 53 E P - 0 0 3 0, 0.0 2,-0.8 0, 0.0 30,-0.2 -0.549 26.3-110.1 -76.7 146.6 -25.6 14.4 10.2 50 54 E L E -m 79 0H 14 28,-2.1 30,-2.7 -2,-0.2 2,-0.7 -0.698 35.8-164.4 -74.1 109.3 -25.4 15.2 6.6 51 55 E I E -m 80 0H 19 -2,-0.8 30,-0.1 28,-0.2 3,-0.1 -0.865 7.8-165.1-102.2 105.5 -23.3 18.4 6.6 52 56 E L > - 0 0 0 28,-2.1 3,-3.6 -2,-0.7 29,-0.1 0.472 12.3-165.4 -73.1 -0.2 -23.7 20.1 3.2 53 57 E R T 3 S- 0 0 138 1,-0.3 29,-0.4 27,-0.1 -1,-0.2 -0.348 77.6 -11.9 48.9-117.0 -20.7 22.5 3.7 54 58 E D T 3 S+ 0 0 69 12,-0.1 33,-2.5 -3,-0.1 2,-0.3 0.319 118.3 103.1 -93.8 7.4 -21.2 25.1 0.9 55 59 E c B < -o 87 0I 5 -3,-3.6 27,-0.3 31,-0.2 2,-0.2 -0.707 60.1-143.9 -93.4 140.6 -24.0 23.0 -0.8 56 60 E S > - 0 0 3 31,-1.2 4,-3.4 -2,-0.3 5,-0.2 -0.654 33.9-105.9 -89.9 158.7 -27.7 23.7 -0.7 57 61 E V H > S+ 0 0 0 1,-0.3 4,-3.6 -2,-0.2 5,-0.2 0.912 129.1 49.3 -47.2 -46.8 -30.3 20.8 -0.6 58 62 E A H > S+ 0 0 1 2,-0.2 4,-2.4 1,-0.2 5,-0.4 0.945 108.7 51.1 -55.3 -51.3 -30.9 21.9 -4.2 59 63 E G H >>S+ 0 0 0 1,-0.2 5,-2.5 2,-0.2 4,-0.6 0.919 117.0 42.7 -53.7 -43.6 -27.1 21.8 -5.0 60 64 E W H ><5S+ 0 0 2 -4,-3.4 3,-0.6 3,-0.2 -2,-0.2 0.976 114.6 46.1 -65.0 -58.2 -27.1 18.3 -3.5 61 65 E L H 3<5S+ 0 0 0 -4,-3.6 -2,-0.2 1,-0.3 -3,-0.2 0.853 118.2 40.2 -62.5 -41.1 -30.2 16.9 -5.0 62 66 E L H 3<5S- 0 0 0 -4,-2.4 84,-1.8 -5,-0.2 85,-0.4 0.648 113.4-119.7 -76.6 -17.4 -29.6 18.1 -8.6 63 67 E G T <<5 - 0 0 8 -3,-0.6 82,-3.1 -4,-0.6 -3,-0.2 0.947 26.3-156.9 70.4 52.8 -26.0 17.2 -8.2 64 68 E N > < - 0 0 2 -5,-2.5 3,-2.0 80,-0.2 -1,-0.1 -0.348 26.5-121.5 -43.3 135.5 -24.2 20.6 -8.8 65 69 E P T 3 S+ 0 0 1 0, 0.0 3,-0.5 0, 0.0 -1,-0.1 0.711 112.8 59.5 -67.9 -17.5 -20.7 19.5 -9.9 66 70 E M T 3 S+ 0 0 99 1,-0.2 3,-0.3 2,-0.1 -12,-0.1 0.446 94.8 68.1 -82.4 -2.4 -19.2 21.4 -7.0 67 71 E c X + 0 0 4 -3,-2.0 3,-1.3 -8,-0.2 -1,-0.2 -0.171 56.8 130.0-108.7 36.2 -21.3 19.2 -4.7 68 72 E D G > + 0 0 44 -3,-0.5 3,-2.2 1,-0.3 4,-0.3 0.875 59.0 73.6 -63.4 -34.4 -19.3 16.1 -5.5 69 73 E E G 3 S+ 0 0 122 -3,-0.3 3,-0.4 1,-0.3 -1,-0.3 0.826 101.6 43.9 -41.1 -39.8 -19.0 15.4 -1.7 70 74 E F G < S+ 0 0 9 -3,-1.3 3,-0.3 1,-0.2 -1,-0.3 -0.119 74.0 115.6-107.4 35.3 -22.6 14.4 -1.6 71 75 E I S < S+ 0 0 88 -3,-2.2 2,-0.3 1,-0.3 -1,-0.2 0.853 96.6 9.2 -66.8 -39.3 -22.8 12.3 -4.8 72 76 E N S S- 0 0 114 -3,-0.4 -1,-0.3 -4,-0.3 40,-0.1 -0.853 82.6-173.4-146.8 106.3 -23.7 9.2 -2.7 73 77 E V - 0 0 17 -3,-0.3 38,-0.2 -2,-0.3 2,-0.1 -0.753 18.6-128.6-106.0 141.1 -24.4 9.8 1.0 74 78 E P - 0 0 108 0, 0.0 37,-0.1 0, 0.0 -1,-0.0 -0.429 53.2 -62.9 -72.6 164.4 -25.0 7.3 3.8 75 79 E E - 0 0 88 35,-0.1 2,-0.3 -2,-0.1 35,-0.2 -0.116 61.6-155.5 -33.2 133.1 -28.0 7.4 6.1 76 80 E W - 0 0 3 33,-2.9 3,-0.1 1,-0.1 -28,-0.1 -0.769 23.7-145.8-119.7 167.5 -28.0 10.6 8.2 77 81 E S S S- 0 0 8 -29,-1.0 2,-0.3 1,-0.5 186,-0.2 0.827 83.1 -17.8 -94.6 -48.8 -29.5 11.7 11.5 78 82 E Y - 0 0 0 184,-0.2 -28,-2.1 -31,-0.1 -1,-0.5 -0.919 69.0-115.6-152.0 168.4 -30.2 15.3 10.6 79 83 E I E -mn 50 264H 0 184,-3.2 186,-3.2 -2,-0.3 2,-0.4 -0.885 17.1-159.0-117.7 144.4 -29.1 17.7 7.9 80 84 E V E +mn 51 265H 3 -30,-2.7 -28,-2.1 -2,-0.4 2,-0.3 -0.983 14.8 171.0-123.6 136.8 -27.1 21.0 8.3 81 85 E E E - n 0 266H 5 184,-1.9 186,-1.9 -2,-0.4 -25,-0.1 -0.958 31.6-114.3-140.5 148.1 -27.2 23.7 5.7 82 86 E K - 0 0 46 -29,-0.4 186,-0.1 -2,-0.3 -28,-0.0 -0.292 27.7-110.3 -78.5 170.4 -25.7 27.2 5.9 83 87 E A S S+ 0 0 50 1,-0.2 -1,-0.1 183,-0.1 185,-0.0 0.954 114.1 14.1 -63.3 -48.5 -27.8 30.4 5.9 84 88 E N S S- 0 0 142 -28,-0.0 -1,-0.2 -3,-0.0 -28,-0.1 -0.615 81.3-166.1-129.9 76.1 -26.5 31.3 2.4 85 89 E P - 0 0 26 0, 0.0 3,-0.2 0, 0.0 -31,-0.1 -0.355 11.8-148.6 -65.7 136.9 -24.8 28.3 0.8 86 90 E V S S+ 0 0 107 1,-0.2 2,-1.7 -31,-0.1 -31,-0.2 0.866 83.0 67.1 -74.5 -41.3 -22.7 29.3 -2.2 87 91 E N B S+o 55 0I 40 -33,-2.5 -31,-1.2 -21,-0.1 2,-0.4 -0.539 71.5 122.9 -86.7 72.4 -23.0 26.1 -4.3 88 92 E D S S- 0 0 55 -2,-1.7 -31,-0.1 -33,-0.2 -33,-0.0 -0.997 78.0 -14.6-130.6 131.0 -26.7 26.2 -5.2 89 93 E L - 0 0 24 -2,-0.4 -1,-0.2 -33,-0.1 4,-0.1 0.917 64.7-172.6 51.4 58.3 -28.3 26.3 -8.6 90 94 E d S S+ 0 0 10 2,-0.1 -1,-0.1 -3,-0.1 45,-0.1 0.912 79.5 55.8 -59.4 -45.5 -25.1 27.1 -10.5 91 95 E Y S S- 0 0 6 1,-0.1 135,-0.1 44,-0.1 129,-0.1 -0.819 110.6-115.1 -78.3 117.6 -27.1 27.5 -13.7 92 96 E P + 0 0 6 0, 0.0 134,-2.6 0, 0.0 2,-0.3 -0.013 65.7 82.9 -61.8 155.2 -29.6 30.1 -12.5 93 97 E G E -p 226 0J 22 132,-0.2 2,-0.3 -4,-0.1 134,-0.2 -0.889 68.9 -60.7 167.1-124.6 -33.3 29.7 -12.1 94 98 E D E -p 227 0J 96 132,-1.7 134,-2.3 -2,-0.3 2,-0.5 -0.962 22.6-135.8-148.4 166.0 -35.8 28.3 -9.6 95 99 E F E > -p 228 0J 18 -2,-0.3 3,-1.2 132,-0.2 134,-0.2 -0.967 34.9-128.0-125.1 107.6 -36.7 25.1 -8.0 96 100 E N T 3 S- 0 0 59 132,-2.7 -2,-0.0 -2,-0.5 134,-0.0 -0.330 85.4 -3.6 -59.8 134.1 -40.4 24.7 -8.0 97 101 E D T 3> S+ 0 0 94 1,-0.1 4,-1.6 3,-0.1 -1,-0.3 0.839 83.2 159.1 51.7 42.5 -42.0 23.9 -4.7 98 102 E Y H <> + 0 0 32 -3,-1.2 4,-2.9 1,-0.2 5,-0.2 0.920 67.3 50.9 -61.9 -49.2 -38.5 23.8 -3.0 99 103 E E H > S+ 0 0 42 1,-0.2 4,-2.1 2,-0.2 292,-0.2 0.834 107.1 53.4 -62.7 -34.3 -39.7 24.4 0.5 100 104 E E H > S+ 0 0 122 2,-0.2 4,-1.1 1,-0.2 -1,-0.2 0.880 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