==== 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 29-AUG-09 2WR2 . COMPND 2 MOLECULE: HEMAGGLUTININ; . SOURCE 2 SYNTHETIC: YES; . AUTHOR J.LIU,D.J.STEVENS,L.F.HAIRE,P.A.WALKER,P.J.COOMBS, . 1465 8 15 11 4 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 59011.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 923 63.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 88 6.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 286 19.5 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 . 3 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 30 2.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 3 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 4 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 . 125 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 90 6.1 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 1 3 3 5 1 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 7 11 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 . 24 19 14 7 2 6 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 10 7 2 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 50 0, 0.0 461,-2.4 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 124.4 47.5 36.9 64.0 2 6 A Q E -AB 349 461A 55 347,-1.6 347,-2.4 459,-0.2 2,-0.4 -0.961 360.0-148.4-144.2 159.2 44.8 36.4 61.4 3 7 A I E - B 0 460A 0 457,-2.1 457,-2.5 -2,-0.3 2,-0.4 -0.999 18.1-164.9-130.7 135.8 42.6 33.7 59.8 4 8 A a E - B 0 459A 7 -2,-0.4 343,-1.6 455,-0.2 2,-0.4 -0.919 14.6-139.8-123.3 146.3 41.4 33.8 56.2 5 9 A I E +D 346 0B 2 453,-2.0 2,-0.3 -2,-0.4 341,-0.2 -0.848 37.3 154.2 -98.8 139.0 38.7 32.0 54.2 6 10 A G E -D 345 0B 0 339,-2.3 339,-2.2 -2,-0.4 2,-0.3 -0.924 32.1-126.0-153.2 177.9 39.6 31.1 50.7 7 11 A Y E -D 344 0B 0 327,-0.4 329,-2.7 -2,-0.3 337,-0.3 -0.938 35.1 -89.7-134.3 157.4 39.1 28.7 47.7 8 12 A H B +f 336 0C 23 335,-3.2 2,-0.3 -2,-0.3 311,-0.2 -0.316 38.2 179.2 -69.0 137.9 41.2 26.6 45.5 9 13 A A + 0 0 1 327,-1.8 2,-0.2 330,-0.2 330,-0.2 -0.929 6.5 167.9-129.0 159.5 42.8 27.8 42.3 10 14 A N - 0 0 33 -2,-0.3 327,-0.1 2,-0.1 325,-0.1 -0.753 50.0 -80.9-150.1-161.3 45.0 26.0 39.8 11 15 A N S S+ 0 0 136 -2,-0.2 16,-0.0 16,-0.1 326,-0.0 0.331 71.9 140.0 -96.1 5.8 46.6 26.1 36.3 12 16 A S - 0 0 23 1,-0.1 -2,-0.1 15,-0.1 16,-0.1 -0.164 31.6-176.5 -53.5 140.2 43.5 24.9 34.6 13 17 A T + 0 0 116 14,-0.1 -1,-0.1 2,-0.1 14,-0.1 0.261 38.6 134.2-116.4 2.4 42.7 26.5 31.2 14 18 A E - 0 0 93 12,-0.3 12,-2.2 13,-0.1 2,-0.3 -0.298 40.9-153.2 -64.7 137.5 39.5 24.7 30.8 15 19 A K E +G 25 0D 81 10,-0.2 2,-0.3 -2,-0.0 10,-0.2 -0.850 14.5 179.0-114.4 141.9 36.5 26.7 29.7 16 20 A V E -G 24 0D 0 8,-2.2 8,-2.8 -2,-0.3 2,-0.4 -0.946 20.2-131.7-132.7 163.1 32.7 26.3 30.2 17 21 A D - 0 0 29 294,-0.4 2,-0.3 -2,-0.3 5,-0.2 -0.871 19.7-171.6-108.7 148.0 29.6 28.3 29.2 18 22 A T - 0 0 0 3,-3.4 406,-0.2 -2,-0.4 405,-0.2 -0.843 40.8-101.1-126.8 171.7 26.8 29.2 31.5 19 23 A I S S+ 0 0 4 404,-1.1 1340,-0.2 -2,-0.3 405,-0.1 0.866 124.4 31.5 -61.0 -36.4 23.4 30.7 30.9 20 24 A L S S+ 0 0 16 403,-0.2 2,-0.4 1,-0.1 1335,-0.3 0.658 123.1 44.0 -93.8 -17.3 24.6 34.1 32.0 21 25 A E - 0 0 44 1334,-0.1 -3,-3.4 402,-0.1 2,-0.3 -0.978 60.5-147.0-139.9 142.5 28.3 33.9 31.0 22 26 A R S S+ 0 0 82 -2,-0.4 -5,-0.2 -5,-0.2 -3,-0.0 -0.801 76.5 3.8-103.9 148.0 30.5 32.8 28.1 23 27 A N S S+ 0 0 102 -2,-0.3 2,-0.5 1,-0.2 -1,-0.2 0.894 72.5 174.6 47.9 62.1 34.0 31.3 28.3 24 28 A V E -G 16 0D 6 -8,-2.8 -8,-2.2 -3,-0.2 2,-0.4 -0.827 28.2-130.3 -96.0 131.7 34.5 31.0 32.1 25 29 A T E -G 15 0D 39 -2,-0.5 293,-3.4 -10,-0.2 2,-0.3 -0.695 28.6-171.8 -83.3 128.7 37.6 29.3 33.3 26 30 A V B -H 317 0E 0 -12,-2.2 -12,-0.3 -2,-0.4 291,-0.2 -0.890 32.8-126.9-121.2 153.4 37.0 26.6 35.9 27 31 A T S S+ 0 0 2 289,-2.5 2,-0.3 -2,-0.3 -13,-0.1 0.862 95.4 12.7 -63.7 -37.3 39.4 24.5 38.0 28 32 A H + 0 0 71 288,-0.3 286,-1.9 -16,-0.1 287,-1.4 -0.979 67.3 174.8-142.5 154.5 37.8 21.3 36.8 29 33 A A E -I 313 0F 20 -2,-0.3 2,-0.4 284,-0.2 284,-0.2 -0.989 15.0-151.8-156.3 157.7 35.4 20.1 34.1 30 34 A K E -I 312 0F 87 282,-2.6 282,-2.8 -2,-0.3 2,-0.4 -0.977 14.6-138.7-142.7 129.3 33.8 17.1 32.5 31 35 A D E -I 311 0F 46 -2,-0.4 280,-0.2 280,-0.2 257,-0.1 -0.696 12.9-175.1 -87.5 126.3 32.6 16.5 29.0 32 36 A I + 0 0 0 278,-2.4 258,-1.1 -2,-0.4 2,-0.6 0.114 60.4 94.6-104.8 19.7 29.3 14.6 28.6 33 37 A L E S-j 290 0G 3 277,-0.2 2,-0.6 256,-0.1 258,-0.2 -0.952 72.4-139.5-109.7 115.5 29.6 14.5 24.8 34 38 A E E +j 291 0G 22 256,-3.4 258,-1.4 -2,-0.6 259,-0.4 -0.652 34.4 160.7 -73.8 116.6 31.1 11.4 23.4 35 39 A K + 0 0 87 -2,-0.6 2,-0.3 256,-0.2 -1,-0.2 0.499 47.1 77.1-114.4 -10.1 33.4 12.5 20.6 36 40 A T + 0 0 99 249,-0.0 249,-0.3 2,-0.0 2,-0.3 -0.758 47.0 176.1-110.1 153.0 35.7 9.5 20.2 37 41 A H - 0 0 69 -2,-0.3 247,-0.2 247,-0.1 -2,-0.0 -0.929 41.5-111.5-142.9 164.1 35.3 6.0 18.6 38 42 A N - 0 0 70 245,-2.3 244,-0.1 -2,-0.3 246,-0.1 0.418 44.9-124.6 -83.3 0.4 37.7 3.1 18.2 39 43 A G S S+ 0 0 25 244,-0.2 2,-0.3 1,-0.2 243,-0.2 0.694 71.3 110.7 67.8 20.1 37.8 3.5 14.4 40 44 A K S S- 0 0 89 243,-0.1 2,-0.5 228,-0.1 243,-0.5 -0.888 71.1-120.3-129.4 160.7 36.8 -0.1 13.8 41 45 A L E -l 270 0H 1 228,-0.7 230,-3.3 -2,-0.3 2,-0.2 -0.857 48.6-176.1 -91.3 121.7 34.0 -2.3 12.5 42 46 A b E - 0 0 0 -2,-0.5 2,-0.3 228,-0.2 232,-0.2 -0.721 32.8 -92.0-123.3 167.1 33.0 -4.7 15.4 43 47 A R E -l 274 0H 57 230,-2.4 232,-2.0 -2,-0.2 2,-0.7 -0.580 42.0-132.2 -69.0 137.0 30.9 -7.6 16.6 44 48 A L E > S-lM 275 47H 5 3,-2.7 3,-1.7 -2,-0.3 232,-0.2 -0.863 80.3 -23.1-100.5 112.6 27.7 -6.3 18.1 45 49 A S T 3 S- 0 0 71 230,-2.0 -1,-0.2 -2,-0.7 231,-0.1 0.912 129.2 -49.4 50.7 46.8 27.0 -8.0 21.5 46 50 A G T 3 S+ 0 0 35 -3,-0.3 -1,-0.3 1,-0.2 -3,-0.1 0.108 118.5 108.3 88.9 -23.1 29.2 -10.9 20.5 47 51 A I B < -M 44 0H 50 -3,-1.7 -3,-2.7 29,-0.0 -1,-0.2 -0.757 62.9-133.3-100.2 132.7 27.6 -11.4 17.1 48 52 A P - 0 0 32 0, 0.0 29,-1.6 0, 0.0 30,-0.4 -0.393 19.3-116.5 -76.6 155.4 29.4 -10.5 13.8 49 53 A P - 0 0 2 0, 0.0 2,-0.5 0, 0.0 30,-0.2 -0.480 30.1-107.2 -80.6 161.7 27.8 -8.6 10.9 50 54 A L E -n 79 0I 3 28,-2.7 30,-2.9 56,-0.2 2,-0.7 -0.820 33.9-148.1 -86.2 125.2 27.3 -10.2 7.5 51 55 A E E +n 80 0I 75 -2,-0.5 30,-0.2 28,-0.2 28,-0.0 -0.877 29.2 163.6-102.4 114.3 29.9 -8.6 5.2 52 56 A L E > - 0 0 4 28,-2.7 3,-1.7 -2,-0.7 2,-0.4 0.648 17.9-175.0-103.9 -18.8 28.7 -8.3 1.6 53 57 A G E 3 S-n 81 0I 31 27,-0.7 29,-2.3 1,-0.3 -1,-0.2 -0.433 73.0 -4.4 64.9-114.5 31.3 -5.7 0.4 54 58 A D T 3 S+ 0 0 70 -2,-0.4 33,-2.5 27,-0.2 32,-0.5 0.241 116.0 97.0 -98.9 12.7 30.4 -4.8 -3.2 55 59 A c B < -p 87 0J 2 -3,-1.7 2,-0.2 31,-0.2 27,-0.2 -0.808 67.3-134.4-102.0 142.9 27.6 -7.2 -3.5 56 60 A S > - 0 0 15 31,-2.9 4,-2.7 -2,-0.4 5,-0.2 -0.570 27.2-111.4 -85.8 158.2 23.9 -6.4 -2.9 57 61 A I H > S+ 0 0 0 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.887 121.5 50.0 -54.6 -38.7 21.6 -8.6 -0.8 58 62 A A H > S+ 0 0 4 2,-0.2 4,-2.5 1,-0.2 5,-0.3 0.960 108.6 51.2 -66.9 -48.7 19.8 -9.6 -4.0 59 63 A G H >>S+ 0 0 0 28,-0.4 5,-2.6 1,-0.2 4,-1.1 0.916 113.8 46.6 -49.2 -46.0 23.0 -10.5 -5.8 60 64 A W H <5S+ 0 0 22 -4,-2.7 3,-0.2 3,-0.2 -2,-0.2 0.947 112.4 46.2 -66.7 -51.0 24.0 -12.6 -2.8 61 65 A L H <5S+ 0 0 2 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.807 116.6 44.3 -65.5 -34.0 20.6 -14.5 -2.4 62 66 A L H <5S- 0 0 0 -4,-2.5 83,-2.2 -5,-0.2 84,-0.5 0.684 114.7-118.3 -82.8 -17.0 20.3 -15.3 -6.1 63 67 A G T <5 - 0 0 0 -4,-1.1 81,-2.9 -5,-0.3 -3,-0.2 0.905 30.1-161.7 81.8 41.0 23.9 -16.3 -6.4 64 68 A N >>< - 0 0 7 -5,-2.6 3,-2.9 79,-0.2 4,-1.9 -0.344 30.0-116.9 -45.6 129.9 25.3 -13.8 -8.8 65 69 A P T 34 S+ 0 0 23 0, 0.0 4,-0.4 0, 0.0 -1,-0.1 0.832 117.0 48.6 -47.1 -40.4 28.6 -15.4 -10.0 66 70 A E T 34 S+ 0 0 139 1,-0.2 -2,-0.1 2,-0.1 21,-0.1 0.570 120.7 39.6 -76.1 -6.7 30.7 -12.5 -8.6 67 71 A c T X4 S+ 0 0 1 -3,-2.9 3,-1.5 -8,-0.2 -1,-0.2 0.621 89.9 88.6-112.4 -20.4 28.7 -12.9 -5.3 68 72 A D T 3< S+ 0 0 57 -4,-1.9 3,-0.5 1,-0.3 -2,-0.1 0.867 85.6 48.7 -57.9 -51.2 28.3 -16.6 -4.8 69 73 A R T 3 S+ 0 0 211 -4,-0.4 -1,-0.3 1,-0.2 -2,-0.1 0.225 71.3 134.5 -78.4 18.1 31.4 -17.6 -2.9 70 74 A L < - 0 0 42 -3,-1.5 -1,-0.2 -10,-0.1 -2,-0.1 0.688 58.4-140.5 -38.0 -31.4 30.7 -14.7 -0.5 71 75 A L - 0 0 88 -3,-0.5 2,-0.1 1,-0.0 -2,-0.1 0.967 26.0-164.1 59.6 89.7 31.4 -17.1 2.5 72 76 A S - 0 0 66 -22,-0.1 -22,-0.1 1,-0.1 -1,-0.0 -0.349 17.5-112.7 -97.7 174.7 28.8 -16.1 5.1 73 77 A V - 0 0 45 -2,-0.1 3,-0.1 1,-0.1 -1,-0.1 -0.678 21.6-126.4 -98.8 163.1 28.3 -16.7 8.8 74 78 A P S S+ 0 0 79 0, 0.0 37,-1.5 0, 0.0 36,-0.5 0.608 96.3 27.4 -83.1 -11.1 25.5 -18.8 10.2 75 79 A E + 0 0 76 35,-0.2 2,-0.3 34,-0.1 34,-0.2 -0.985 68.9 175.2-153.0 132.5 24.4 -16.0 12.5 76 80 A W B -Q 108 0K 1 32,-0.7 32,-1.6 -2,-0.3 3,-0.1 -0.969 26.9-155.1-143.6 162.2 24.7 -12.2 12.2 77 81 A S S S- 0 0 11 -29,-1.6 2,-0.3 1,-0.3 185,-0.3 0.594 81.3 -6.6-112.5 -19.5 23.6 -9.1 14.1 78 82 A Y - 0 0 0 -30,-0.4 -28,-2.7 183,-0.1 2,-0.4 -0.947 69.6-111.6-162.3 175.7 23.6 -6.6 11.2 79 83 A I E -no 50 263I 0 183,-1.9 185,-3.2 -2,-0.3 2,-0.4 -0.931 19.0-155.0-121.4 144.0 24.7 -6.3 7.5 80 84 A V E +no 51 264I 5 -30,-2.9 -28,-2.7 -2,-0.4 -27,-0.7 -0.980 19.5 164.2-120.8 129.5 27.5 -4.3 6.0 81 85 A E E -no 53 265I 9 183,-2.6 185,-2.1 -2,-0.4 2,-0.2 -0.882 40.2-101.5-130.9 163.9 27.6 -3.1 2.4 82 86 A K - 0 0 59 -29,-2.3 185,-0.1 -2,-0.3 -30,-0.0 -0.526 44.5-105.3 -74.9 156.5 29.5 -0.6 0.3 83 87 A E S S+ 0 0 114 1,-0.3 -1,-0.1 -2,-0.2 -29,-0.0 0.950 113.8 18.2 -48.0 -57.7 27.7 2.7 -0.3 84 88 A N S S- 0 0 136 -3,-0.0 -1,-0.3 -28,-0.0 2,-0.1 -0.801 85.4-151.8-122.4 90.5 27.1 1.7 -3.9 85 89 A P - 0 0 41 0, 0.0 -30,-0.2 0, 0.0 -31,-0.1 -0.339 4.1-151.1 -63.3 134.1 27.5 -2.1 -4.5 86 90 A V S S+ 0 0 119 -32,-0.5 2,-0.5 1,-0.1 -31,-0.2 0.714 73.7 67.7 -81.0 -22.0 28.6 -3.1 -8.0 87 91 A N B +p 55 0J 35 -33,-2.5 -31,-2.9 1,-0.1 -28,-0.4 -0.883 57.4 102.8-114.3 123.5 27.0 -6.5 -8.1 88 92 A G S S+ 0 0 17 -2,-0.5 2,-1.3 -33,-0.2 3,-0.2 -0.096 79.7 11.7-150.6-109.2 23.2 -7.3 -8.1 89 93 A L + 0 0 42 1,-0.2 4,-0.2 4,-0.1 136,-0.0 -0.720 57.5 178.3 -88.4 90.1 20.9 -8.3 -10.9 90 94 A C S S+ 0 0 17 -2,-1.3 -1,-0.2 2,-0.1 45,-0.1 0.921 81.4 53.4 -62.1 -43.2 23.5 -9.1 -13.6 91 95 A Y S S- 0 0 0 -3,-0.2 134,-0.1 43,-0.1 128,-0.1 -0.843 113.3-113.1 -83.2 125.8 20.6 -10.1 -15.8 92 96 A P + 0 0 9 0, 0.0 133,-1.9 0, 0.0 2,-0.3 -0.161 65.3 98.2 -67.4 157.3 18.5 -6.9 -15.5 93 97 A G E -r 225 0K 32 131,-0.3 2,-0.3 -4,-0.2 133,-0.2 -0.973 59.0 -86.4 164.9-150.1 15.2 -6.9 -13.7 94 98 A S E -r 226 0K 57 131,-1.6 133,-2.5 -2,-0.3 2,-0.4 -0.931 18.4-131.5-152.3 164.8 13.5 -6.0 -10.5 95 99 A F E > -r 227 0K 20 -2,-0.3 3,-1.0 131,-0.2 2,-0.2 -0.991 25.5-130.1-129.5 118.5 12.8 -7.6 -7.1 96 100 A N T 3 S- 0 0 42 131,-3.2 133,-0.2 -2,-0.4 5,-0.1 -0.496 88.8 -2.4 -72.6 137.2 9.2 -7.3 -5.6 97 101 A D T 3> S+ 0 0 86 -2,-0.2 4,-1.6 1,-0.1 -1,-0.3 0.881 85.2 158.3 50.4 43.5 9.0 -6.0 -2.0 98 102 A Y H <> + 0 0 33 -3,-1.0 4,-2.5 1,-0.2 5,-0.2 0.916 64.1 53.6 -66.2 -47.2 12.8 -5.9 -1.9 99 103 A E H > S+ 0 0 31 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.885 108.4 51.3 -57.4 -39.5 13.2 -3.4 0.9 100 104 A E H > S+ 0 0 7 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.902 108.9 51.5 -64.5 -40.5 11.0 -5.6 3.2 101 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