==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER VIRAL PROTEIN 28-AUG-09 2WR0 . COMPND 2 MOLECULE: HEMAGGLUTININ; . SOURCE 2 ORGANISM_SCIENTIFIC: UNIDENTIFIED INFLUENZA VIRUS; . AUTHOR J.LIU,D.STEVENS,L.HAIRE,P.COOMBS,R.RUSSELL,S.GAMBLIN, . 1467 6 17 14 3 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 57643.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 938 63.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 86 5.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 288 19.6 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 . 4 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 32 2.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 4 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 5 0.3 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 . 133 9.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 88 6.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 273 18.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 0.8 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 3 2 7 0 0 0 0 0 0 0 0 0 0 0 3 0 0 0 0 0 0 0 0 0 3 RESIDUES PER ALPHA HELIX . 9 8 10 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 . 21 18 15 9 3 5 0 0 3 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 . 8 9 6 3 0 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 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 A D 0 0 47 0, 0.0 461,-3.0 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 109.7 46.9 37.2 64.1 2 6 A Q E -AB 349 461A 56 347,-1.9 347,-3.1 459,-0.2 2,-0.4 -0.981 360.0-156.0-142.8 152.9 44.4 36.5 61.3 3 7 A I E -AB 348 460A 0 457,-1.9 457,-2.9 -2,-0.3 2,-0.4 -0.995 17.9-161.1-128.5 140.6 42.5 33.7 59.7 4 8 A a E -AB 347 459A 7 343,-2.5 343,-1.7 -2,-0.4 2,-0.4 -0.935 15.4-137.9-127.0 141.6 41.2 33.8 56.1 5 9 A I E +A 346 0A 1 453,-2.8 2,-0.2 -2,-0.4 341,-0.2 -0.815 39.7 156.6 -93.3 134.1 38.5 32.0 54.1 6 10 A G E -A 345 0A 0 339,-2.5 339,-1.7 -2,-0.4 2,-0.3 -0.810 27.6-136.2-146.3-176.0 39.6 31.0 50.6 7 11 A Y E -A 344 0A 0 327,-0.3 329,-3.5 -2,-0.2 337,-0.2 -0.971 33.2 -77.2-151.2 162.5 39.2 28.7 47.6 8 12 A H B +e 336 0B 24 335,-2.6 311,-0.4 -2,-0.3 2,-0.3 -0.259 38.0 173.4 -66.7 138.8 41.0 26.7 45.0 9 13 A A + 0 0 1 327,-1.2 330,-0.3 330,-0.3 2,-0.2 -0.987 8.3 165.9-137.6 147.1 42.8 28.0 42.0 10 14 A N - 0 0 30 -2,-0.3 327,-0.1 2,-0.1 325,-0.1 -0.755 52.2 -82.8-142.8-169.9 45.0 26.1 39.5 11 15 A N S S+ 0 0 145 -2,-0.2 2,-0.1 326,-0.1 16,-0.0 0.071 74.0 141.9 -89.3 26.1 46.7 26.2 36.1 12 16 A S + 0 0 29 1,-0.1 -2,-0.1 2,-0.1 16,-0.1 -0.418 31.4 178.9 -74.2 143.0 43.5 25.1 34.4 13 17 A T + 0 0 121 -2,-0.1 -1,-0.1 14,-0.1 2,-0.1 0.368 39.7 130.4-118.2 -5.9 42.5 26.6 31.0 14 18 A E - 0 0 88 12,-0.3 12,-2.8 13,-0.1 2,-0.3 -0.308 40.9-163.1 -55.7 124.4 39.4 24.5 30.7 15 19 A K E -F 25 0C 71 10,-0.2 2,-0.3 -2,-0.1 10,-0.2 -0.788 12.5-179.7-112.0 153.2 36.4 26.8 29.8 16 20 A V E -F 24 0C 0 8,-2.1 8,-3.1 -2,-0.3 2,-0.4 -0.930 21.5-125.9-137.7 167.7 32.7 26.2 30.0 17 21 A D - 0 0 33 294,-0.4 2,-0.3 -2,-0.3 5,-0.2 -0.894 21.0-171.3-111.9 148.0 29.6 28.3 29.1 18 22 A T - 0 0 3 3,-2.7 406,-0.2 -2,-0.4 405,-0.2 -0.784 43.0 -95.5-122.9 173.4 26.7 29.1 31.4 19 23 A I S S+ 0 0 1 404,-1.6 1340,-0.2 -2,-0.3 405,-0.1 0.880 125.5 31.9 -52.5 -41.8 23.3 30.7 30.8 20 24 A L S S+ 0 0 19 403,-0.2 1335,-0.3 1335,-0.1 2,-0.3 0.684 122.7 40.4 -93.0 -21.4 24.7 34.1 31.9 21 25 A E - 0 0 44 402,-0.1 -3,-2.7 1334,-0.1 2,-0.3 -0.899 60.6-144.8-135.6 158.9 28.3 33.8 30.8 22 26 A R S S+ 0 0 76 -2,-0.3 -5,-0.2 -5,-0.2 -3,-0.0 -0.917 75.3 6.7-123.4 148.8 30.6 32.6 28.0 23 27 A N S S+ 0 0 97 -2,-0.3 2,-0.5 1,-0.2 -6,-0.2 0.916 73.9 178.3 46.7 57.0 34.1 31.1 28.1 24 28 A V E -F 16 0C 5 -8,-3.1 -8,-2.1 -3,-0.2 2,-0.4 -0.797 25.6-132.5 -88.7 125.5 34.4 30.8 31.9 25 29 A T E -F 15 0C 38 -2,-0.5 293,-2.5 -10,-0.2 2,-0.3 -0.661 29.0-172.6 -77.6 124.9 37.6 29.2 33.1 26 30 A V B -G 317 0D 0 -12,-2.8 -12,-0.3 -2,-0.4 291,-0.2 -0.907 33.3-128.7-122.8 150.8 37.0 26.6 35.7 27 31 A T S S+ 0 0 4 289,-3.1 2,-0.3 -2,-0.3 290,-0.1 0.806 95.5 13.5 -64.2 -31.7 39.4 24.5 37.9 28 32 A H + 0 0 80 288,-0.3 286,-2.6 -16,-0.1 287,-2.1 -0.995 68.1 167.4-149.6 141.4 37.7 21.3 36.8 29 33 A A E -H 313 0E 29 -2,-0.3 2,-0.4 284,-0.3 284,-0.2 -0.953 19.1-148.5-148.9 164.7 35.4 20.1 34.1 30 34 A K E -H 312 0E 82 282,-2.6 282,-2.7 -2,-0.3 2,-0.4 -0.961 15.2-138.1-143.0 122.5 34.0 17.0 32.4 31 35 A D E -H 311 0E 38 -2,-0.4 280,-0.2 280,-0.3 257,-0.1 -0.650 14.0-174.1 -78.2 128.0 32.9 16.6 28.8 32 36 A I + 0 0 0 278,-3.0 258,-1.1 -2,-0.4 2,-0.6 0.198 58.8 95.4-106.7 15.5 29.7 14.6 28.5 33 37 A L E S-i 290 0F 2 277,-0.4 2,-0.5 256,-0.1 258,-0.2 -0.924 70.4-141.8-108.2 111.8 29.8 14.5 24.7 34 38 A E E +i 291 0F 26 256,-3.7 258,-1.4 -2,-0.6 259,-0.3 -0.607 31.4 162.4 -75.1 123.4 31.4 11.4 23.3 35 39 A K + 0 0 87 -2,-0.5 2,-0.3 256,-0.2 -1,-0.1 0.366 46.2 78.1-123.6 -1.3 33.5 12.4 20.2 36 40 A T + 0 0 98 249,-0.1 249,-0.3 2,-0.0 2,-0.3 -0.865 44.8 175.0-120.0 150.4 35.8 9.4 19.7 37 41 A H - 0 0 75 -2,-0.3 247,-0.2 247,-0.1 241,-0.0 -0.841 41.1-111.9-137.8 173.6 35.5 5.9 18.2 38 42 A N - 0 0 69 245,-1.8 244,-0.1 -2,-0.3 3,-0.1 0.351 42.4-123.7 -96.4 6.4 38.0 3.1 17.5 39 43 A G S S+ 0 0 32 244,-0.2 2,-0.3 1,-0.2 243,-0.2 0.677 73.6 116.7 63.9 17.9 37.8 3.4 13.7 40 44 A K - 0 0 86 243,-0.1 2,-0.7 228,-0.1 243,-0.5 -0.894 68.5-129.2-124.8 148.1 36.8 -0.2 13.6 41 45 A L E -k 270 0G 1 228,-0.8 230,-1.7 -2,-0.3 2,-0.2 -0.846 44.6-179.3 -83.5 117.0 34.0 -2.5 12.5 42 46 A b E - 0 0 0 -2,-0.7 232,-0.2 228,-0.2 2,-0.2 -0.601 33.2 -88.8-116.1 173.7 33.3 -4.8 15.5 43 47 A R E -k 274 0G 63 230,-2.1 232,-2.1 228,-0.2 2,-0.7 -0.567 42.8-127.6 -74.0 146.5 31.1 -7.6 16.6 44 48 A L E > S-kL 275 47G 4 3,-3.3 3,-2.0 1,-0.2 232,-0.2 -0.888 79.1 -25.8-105.7 115.6 27.9 -6.5 18.2 45 49 A S T 3 S- 0 0 70 230,-2.1 -1,-0.2 -2,-0.7 231,-0.1 0.862 131.4 -44.5 48.3 40.8 27.2 -8.0 21.6 46 50 A G T 3 S+ 0 0 38 229,-0.2 -1,-0.3 1,-0.2 230,-0.1 0.298 119.5 103.2 94.5 -8.4 29.3 -11.0 20.6 47 51 A I B < -L 44 0G 45 -3,-2.0 -3,-3.3 -5,-0.0 -1,-0.2 -0.925 63.8-133.5-113.1 131.0 27.9 -11.5 17.1 48 52 A P - 0 0 27 0, 0.0 29,-1.7 0, 0.0 30,-0.4 -0.375 24.7-114.4 -69.9 154.3 29.8 -10.5 13.9 49 53 A P - 0 0 4 0, 0.0 2,-0.5 0, 0.0 30,-0.2 -0.385 31.8-103.0 -77.4 170.7 28.0 -8.7 11.1 50 54 A L E -m 79 0H 2 28,-2.8 30,-2.5 56,-0.2 2,-0.7 -0.865 36.6-146.0 -90.4 125.0 27.4 -10.3 7.7 51 55 A E E +m 80 0H 58 -2,-0.5 21,-0.2 28,-0.2 20,-0.2 -0.846 29.7 164.5-103.8 112.8 30.0 -8.7 5.3 52 56 A L E > + 0 0 3 28,-2.4 3,-2.4 -2,-0.7 29,-0.2 0.635 13.3 173.2 -99.5 -17.6 28.8 -8.3 1.7 53 57 A G E 3 S+m 81 0H 27 27,-0.8 29,-0.8 1,-0.3 -1,-0.2 -0.214 73.8 5.2 47.2-113.7 31.5 -5.9 0.4 54 58 A D T 3 S+ 0 0 78 27,-0.1 33,-1.7 31,-0.1 32,-0.9 0.657 117.2 82.6 -74.1 -19.1 31.0 -5.5 -3.3 55 59 A c B < -o 87 0I 4 -3,-2.4 27,-0.3 30,-0.2 2,-0.2 -0.530 69.1-131.6 -95.1 153.1 27.8 -7.6 -3.6 56 60 A S > - 0 0 15 31,-2.5 4,-2.5 -2,-0.2 5,-0.2 -0.599 30.7-110.0 -90.7 162.5 24.1 -6.7 -3.0 57 61 A I H > S+ 0 0 0 1,-0.2 4,-3.0 -2,-0.2 5,-0.2 0.882 122.0 50.4 -59.3 -36.8 21.8 -8.9 -1.0 58 62 A A H > S+ 0 0 4 2,-0.2 4,-2.8 1,-0.2 5,-0.3 0.939 109.0 49.7 -66.7 -46.3 20.0 -9.8 -4.2 59 63 A G H >>S+ 0 0 0 28,-0.3 5,-2.9 2,-0.2 4,-1.1 0.889 116.1 44.0 -59.3 -39.1 23.3 -10.7 -5.9 60 64 A W H <5S+ 0 0 21 -4,-2.5 -2,-0.2 3,-0.2 -1,-0.2 0.966 115.7 44.7 -69.6 -55.1 24.3 -12.9 -3.0 61 65 A L H <5S+ 0 0 2 -4,-3.0 -2,-0.2 1,-0.2 -3,-0.2 0.871 118.3 43.8 -60.2 -39.3 20.9 -14.6 -2.4 62 66 A L H <5S- 0 0 0 -4,-2.8 83,-1.8 -5,-0.2 84,-0.4 0.771 114.6-118.9 -76.6 -24.9 20.3 -15.3 -6.1 63 67 A G T <5 - 0 0 0 -4,-1.1 81,-3.1 -5,-0.3 -3,-0.2 0.845 32.2-167.6 86.6 35.5 23.9 -16.4 -6.5 64 68 A N >>< - 0 0 5 -5,-2.9 3,-2.6 79,-0.3 4,-1.5 -0.445 34.1-117.5 -46.3 125.4 25.3 -13.9 -9.0 65 69 A P T 34 S+ 0 0 14 0, 0.0 4,-0.2 0, 0.0 -1,-0.1 0.712 115.2 58.4 -48.1 -31.5 28.6 -15.6 -9.9 66 70 A E T 34 S+ 0 0 119 1,-0.2 21,-0.1 22,-0.1 -2,-0.1 0.275 120.7 29.5 -79.9 12.2 30.6 -12.6 -8.5 67 71 A c T X4 S+ 0 0 2 -3,-2.6 3,-2.1 -8,-0.2 -1,-0.2 0.518 90.6 89.3-140.3 -25.1 28.8 -13.3 -5.2 68 72 A D T 3< S+ 0 0 46 -4,-1.5 -2,-0.1 1,-0.3 -8,-0.0 0.549 88.4 56.5 -68.7 -4.7 28.0 -17.0 -4.9 69 73 A R T 3 S+ 0 0 220 -4,-0.2 -1,-0.3 0, 0.0 -3,-0.1 0.520 75.1 136.1-100.9 -7.5 31.4 -17.7 -3.3 70 74 A L < - 0 0 53 -3,-2.1 -18,-0.1 1,-0.1 -3,-0.1 -0.012 60.8-123.4 -38.5 140.1 30.9 -15.2 -0.4 71 75 A L - 0 0 97 -20,-0.2 -1,-0.1 0, 0.0 -3,-0.0 0.977 36.2-166.2 -56.7 -73.5 32.0 -16.7 2.9 72 76 A S - 0 0 49 -21,-0.2 -22,-0.1 2,-0.0 -20,-0.0 0.930 15.6-134.9 85.3 94.1 28.8 -16.3 5.0 73 77 A V - 0 0 50 -24,-0.1 37,-0.1 1,-0.1 3,-0.1 -0.393 19.8-126.5 -64.3 152.1 28.6 -16.7 8.8 74 78 A P S S+ 0 0 81 0, 0.0 37,-0.9 0, 0.0 2,-0.3 0.536 94.4 28.1 -78.7 -4.5 25.7 -18.8 10.1 75 79 A E + 0 0 78 35,-0.2 2,-0.3 34,-0.1 34,-0.1 -0.971 68.2 174.5-159.8 134.6 24.7 -16.0 12.3 76 80 A W B -P 108 0J 1 32,-0.5 32,-1.8 -2,-0.3 3,-0.1 -0.990 28.9-149.3-149.3 155.5 25.0 -12.2 12.2 77 81 A S S S- 0 0 14 -29,-1.7 2,-0.3 -2,-0.3 185,-0.3 0.567 82.1 -11.3-103.5 -14.1 24.0 -9.1 14.2 78 82 A Y - 0 0 0 -30,-0.4 -28,-2.8 183,-0.1 2,-0.4 -0.962 69.7-103.7-168.3 178.3 23.8 -6.6 11.3 79 83 A I E -mn 50 263H 0 183,-2.0 185,-3.7 -2,-0.3 2,-0.6 -0.955 17.6-159.2-122.8 137.3 24.8 -6.2 7.6 80 84 A V E +mn 51 264H 3 -30,-2.5 -28,-2.4 -2,-0.4 -27,-0.8 -0.949 22.9 159.6-116.4 111.3 27.6 -4.3 6.0 81 85 A E E -mn 53 265H 5 183,-1.5 185,-2.4 -2,-0.6 2,-0.2 -0.639 40.7-107.3-111.5 177.1 27.3 -3.3 2.4 82 86 A K - 0 0 59 -29,-0.8 185,-0.1 -27,-0.3 183,-0.0 -0.636 42.5 -98.7 -95.4 166.6 29.0 -0.7 0.3 83 87 A E S S+ 0 0 106 1,-0.3 -1,-0.1 -2,-0.2 182,-0.0 0.907 113.3 9.0 -54.1 -47.8 27.0 2.4 -0.7 84 88 A N S S- 0 0 142 -28,-0.0 -1,-0.3 -3,-0.0 -28,-0.1 -0.761 84.2-142.0-137.6 91.5 26.3 1.0 -4.2 85 89 A P - 0 0 37 0, 0.0 -30,-0.2 0, 0.0 -31,-0.1 -0.172 3.1-146.2 -53.4 139.9 27.4 -2.6 -4.7 86 90 A V S S+ 0 0 109 -32,-0.9 2,-0.7 1,-0.2 -31,-0.2 0.839 84.0 57.6 -73.2 -36.1 28.8 -3.3 -8.1 87 91 A N B +o 55 0I 31 -33,-1.7 -31,-2.5 -21,-0.1 -28,-0.3 -0.859 66.4 107.8-111.5 109.6 27.4 -6.8 -8.3 88 92 A G S S+ 0 0 14 -2,-0.7 2,-1.8 -33,-0.2 3,-0.2 0.037 79.3 14.4-135.8-111.8 23.7 -7.4 -8.0 89 93 A L + 0 0 43 1,-0.2 4,-0.1 4,-0.1 -30,-0.0 -0.568 61.0 179.0 -75.2 86.2 21.3 -8.4 -10.7 90 94 A d S S+ 0 0 12 -2,-1.8 -1,-0.2 2,-0.1 45,-0.1 0.971 81.6 51.2 -54.7 -54.1 23.8 -9.5 -13.3 91 95 A Y S S- 0 0 2 -3,-0.2 134,-0.1 43,-0.1 128,-0.1 -0.777 112.5-114.2 -77.2 124.8 20.9 -10.3 -15.5 92 96 A P + 0 0 6 0, 0.0 133,-1.7 0, 0.0 2,-0.3 -0.160 64.8 89.4 -66.8 153.7 18.9 -7.0 -15.4 93 97 A G E -q 225 0K 33 131,-0.3 2,-0.3 -4,-0.1 133,-0.2 -0.962 62.8 -72.7 163.7-143.1 15.5 -6.7 -13.8 94 98 A S E -q 226 0K 57 131,-1.6 133,-2.5 -2,-0.3 2,-0.4 -0.941 20.0-137.4-149.3 164.5 13.8 -6.0 -10.5 95 99 A F E > -q 227 0K 21 -2,-0.3 3,-1.0 131,-0.2 2,-0.2 -0.989 24.9-129.5-132.6 118.5 13.1 -7.5 -7.1 96 100 A N T 3 S- 0 0 45 131,-3.2 133,-0.1 -2,-0.4 5,-0.1 -0.503 88.5 -3.9 -71.5 135.0 9.6 -7.2 -5.5 97 101 A D T 3> S+ 0 0 82 -2,-0.2 4,-1.9 1,-0.1 -1,-0.3 0.882 84.3 159.8 51.4 41.8 9.5 -6.0 -1.9 98 102 A Y H <> + 0 0 32 -3,-1.0 4,-2.4 1,-0.2 5,-0.2 0.881 66.9 51.3 -64.3 -40.6 13.3 -6.0 -1.9 99 103 A E H > S+ 0 0 29 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.901 107.4 53.2 -64.8 -41.2 13.6 -3.6 1.0 100 104 A E H > S+ 0 0 5 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.909 109.5 49.9 -58.5 -43.1 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