==== 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 01-SEP-09 2WRE . COMPND 2 MOLECULE: HEMAGGLUTININ; . SOURCE 2 ORGANISM_SCIENTIFIC: INFLUENZA A VIRUS . AUTHOR J.LIU,D.J.STEVENS,L.F.HAIRE,P.A.WALKER,P.J.COOMBS, . 1438 8 18 14 4 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 59602.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 911 63.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 90 6.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 257 17.9 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 . 3 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 25 1.7 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 . 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 . 144 10.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 82 5.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 267 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 0 1 3 0 5 3 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 11 9 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 . 18 20 14 6 0 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 . 10 12 8 0 1 0 2 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 8 A a 0 0 55 0, 0.0 2,-0.2 0, 0.0 446,-0.2 0.000 360.0 360.0 360.0 98.9 47.5 -1.3 -32.1 2 9 A I + 0 0 5 444,-1.5 2,-0.3 341,-0.2 341,-0.2 -0.590 360.0 150.3 -78.5 142.7 45.9 -0.1 -28.9 3 10 A G E -A 342 0A 0 339,-1.8 339,-2.3 -2,-0.2 2,-0.2 -0.965 32.5-122.5-161.5 176.0 48.1 0.9 -26.0 4 11 A Y E -Ab 341 332A 0 327,-0.6 329,-2.8 -2,-0.3 337,-0.2 -0.737 33.5 -82.5-128.1 175.9 48.7 3.0 -22.9 5 12 A H E + b 0 333A 17 335,-2.2 311,-0.5 327,-0.2 2,-0.2 -0.202 33.0 171.8 -83.5 161.4 51.2 5.6 -21.5 6 13 A A + 0 0 0 327,-0.9 330,-0.3 330,-0.5 312,-0.1 -0.792 9.1 176.2-168.4 127.5 54.6 5.4 -19.8 7 14 A N - 0 0 35 -2,-0.2 327,-0.1 328,-0.1 325,-0.1 -0.205 46.5 -81.6-118.8-157.7 57.1 8.1 -18.8 8 15 A N S S+ 0 0 161 -2,-0.1 16,-0.0 16,-0.1 2,-0.0 0.179 81.5 123.1 -98.3 18.5 60.4 8.8 -17.0 9 16 A S - 0 0 26 1,-0.1 16,-0.1 15,-0.1 15,-0.1 -0.277 39.6-176.1 -73.7 160.2 58.9 8.9 -13.5 10 17 A T + 0 0 108 14,-0.1 2,-0.3 13,-0.0 -1,-0.1 -0.024 33.3 140.8-145.6 33.6 59.8 6.8 -10.6 11 18 A E E -C 23 0B 83 12,-0.5 12,-2.4 13,-0.1 2,-0.4 -0.640 39.9-148.5 -73.2 130.6 57.2 8.0 -8.0 12 19 A K E -C 22 0B 82 -2,-0.3 2,-0.3 10,-0.2 10,-0.2 -0.870 16.3-176.5-110.7 134.9 56.0 5.0 -6.0 13 20 A V E -C 21 0B 1 8,-2.0 8,-2.3 -2,-0.4 7,-1.0 -0.758 18.0-131.4-119.6 171.3 52.6 4.4 -4.5 14 21 A D E -C 19 0B 36 294,-0.5 2,-0.3 -2,-0.3 5,-0.2 -0.980 18.4-171.8-123.3 134.7 51.0 1.7 -2.3 15 22 A T - 0 0 2 3,-2.6 397,-0.2 -2,-0.4 396,-0.1 -0.851 43.8 -99.2-117.5 160.6 47.7 -0.1 -2.9 16 23 A I S S+ 0 0 0 395,-1.7 835,-0.3 -2,-0.3 836,-0.1 0.821 124.0 30.8 -39.8 -41.5 45.7 -2.4 -0.7 17 24 A L S S+ 0 0 18 394,-0.2 830,-0.3 830,-0.1 2,-0.3 0.777 124.9 25.3 -97.1 -33.8 47.2 -5.3 -2.7 18 25 A E - 0 0 50 829,-0.1 -3,-2.6 830,-0.0 2,-0.3 -0.821 60.5-155.8-126.4 171.8 50.6 -4.3 -3.9 19 26 A R E +C 14 0B 62 -2,-0.3 -5,-0.2 -5,-0.2 3,-0.1 -0.996 69.2 34.3-149.6 153.5 53.3 -1.9 -2.9 20 27 A N E S+ 0 0 121 -7,-1.0 2,-0.7 -2,-0.3 -6,-0.2 0.874 73.6 169.9 69.0 42.8 56.2 0.0 -4.4 21 28 A V E -C 13 0B 6 -8,-2.3 -8,-2.0 -3,-0.1 2,-0.4 -0.755 30.7-136.4 -88.6 110.7 54.1 0.4 -7.6 22 29 A T E -C 12 0B 36 -2,-0.7 293,-2.7 -10,-0.2 2,-0.3 -0.569 27.7-167.1 -77.0 128.2 55.8 2.8 -10.0 23 30 A V E -CD 11 314B 0 -12,-2.4 -12,-0.5 -2,-0.4 291,-0.2 -0.906 30.7-130.5-122.3 146.4 53.2 5.2 -11.5 24 31 A T S S+ 0 0 6 289,-1.9 2,-0.3 -2,-0.3 -13,-0.1 0.936 93.1 5.2 -51.7 -57.1 53.1 7.7 -14.4 25 32 A H + 0 0 71 288,-0.2 287,-2.3 -16,-0.1 286,-2.2 -0.957 68.2 177.6-134.5 156.1 51.6 10.5 -12.2 26 33 A A E -E 310 0C 23 -2,-0.3 2,-0.4 284,-0.2 284,-0.2 -0.996 17.3-146.2-157.8 150.3 50.8 11.0 -8.6 27 34 A K E -E 309 0C 98 282,-2.2 282,-3.3 -2,-0.3 2,-0.4 -0.981 14.3-143.5-125.7 132.1 49.5 13.6 -6.1 28 35 A D E -E 308 0C 38 -2,-0.4 280,-0.2 280,-0.2 -2,-0.0 -0.769 12.2-174.5 -93.9 139.1 50.5 14.0 -2.5 29 36 A I + 0 0 2 278,-1.4 258,-1.0 -2,-0.4 2,-0.6 0.105 54.8 96.6-120.6 22.4 47.9 14.9 0.1 30 37 A L E -f 287 0D 2 256,-0.1 2,-0.3 255,-0.1 258,-0.3 -0.928 64.3-146.2-112.7 108.8 50.0 15.3 3.2 31 38 A E E +f 288 0D 31 256,-3.4 258,-1.8 -2,-0.6 259,-0.3 -0.604 32.8 157.3 -71.6 131.3 51.1 18.9 4.0 32 39 A K + 0 0 87 -2,-0.3 2,-0.5 256,-0.2 -1,-0.1 0.063 43.0 92.6-140.9 20.9 54.5 18.6 5.5 33 40 A T + 0 0 86 2,-0.0 2,-0.1 246,-0.0 257,-0.1 -0.961 37.6 162.5-133.8 116.2 55.9 22.1 4.8 34 41 A H - 0 0 80 -2,-0.5 247,-0.1 247,-0.1 245,-0.1 0.034 37.3-126.4 -98.2-145.6 55.7 25.2 6.9 35 42 A N - 0 0 80 245,-0.2 244,-0.2 2,-0.2 246,-0.1 0.196 32.2-118.7-155.8 18.2 57.9 28.2 6.4 36 43 A G S S+ 0 0 52 242,-0.3 2,-0.3 244,-0.2 243,-0.2 0.507 77.7 114.3 58.4 5.6 59.6 28.8 9.8 37 44 A K - 0 0 100 243,-0.1 243,-0.8 228,-0.1 2,-0.5 -0.837 62.8-134.8-108.6 146.7 57.9 32.2 10.1 38 45 A L E -h 267 0E 7 228,-0.7 230,-2.0 -2,-0.3 231,-0.3 -0.877 36.8-171.2 -99.9 130.6 55.3 33.4 12.7 39 46 A b E - 0 0 0 -2,-0.5 232,-0.2 228,-0.2 228,-0.1 -0.634 29.0 -92.6-123.1 167.6 52.5 35.4 11.1 40 47 A K E -h 271 0E 54 230,-1.0 232,-0.7 -2,-0.2 2,-0.4 -0.152 45.3-125.9 -59.2 173.0 49.4 37.5 11.4 41 48 A L E > S-hI 272 44E 1 3,-2.1 3,-2.6 230,-0.1 232,-0.2 -0.969 76.5 -25.1-134.0 116.8 46.2 35.5 11.4 42 49 A N T 3 S- 0 0 78 230,-1.7 231,-0.1 -2,-0.4 229,-0.1 0.773 132.8 -45.5 49.5 24.7 43.4 36.3 9.0 43 50 A G T 3 S+ 0 0 37 229,-0.2 -1,-0.3 1,-0.2 -3,-0.1 0.314 121.7 106.4 106.6 -4.7 45.0 39.8 9.0 44 51 A I B < -I 41 0E 54 -3,-2.6 -3,-2.1 -5,-0.0 -1,-0.2 -0.938 62.0-135.1-118.4 120.9 45.4 40.1 12.8 45 52 A P - 0 0 33 0, 0.0 29,-1.6 0, 0.0 30,-0.3 -0.151 22.3-111.5 -66.7 162.0 48.8 39.8 14.6 46 53 A P - 0 0 1 0, 0.0 2,-0.6 0, 0.0 30,-0.3 -0.022 35.7 -99.7 -75.3-171.4 49.5 37.8 17.7 47 54 A L E -j 76 0F 0 28,-0.9 30,-2.4 56,-0.1 2,-0.5 -0.937 38.9-149.1-114.3 106.7 50.3 39.4 21.0 48 55 A E E +j 77 0F 32 -2,-0.6 20,-0.5 28,-0.2 21,-0.4 -0.643 27.2 166.6 -83.8 123.4 54.1 39.3 21.4 49 56 A L > - 0 0 1 28,-1.5 3,-2.0 -2,-0.5 -1,-0.1 0.410 16.1-168.7-113.6 -1.3 55.4 39.0 24.9 50 57 A G T 3 S- 0 0 30 1,-0.3 29,-1.1 27,-0.2 -1,-0.3 -0.276 80.1 -13.0 48.3-111.0 59.0 38.1 24.4 51 58 A D T 3 S+ 0 0 77 27,-0.1 33,-1.0 -2,-0.1 2,-0.4 -0.200 112.1 105.0-115.0 43.5 60.0 37.1 27.9 52 59 A c B < -l 84 0G 2 -3,-2.0 2,-0.3 31,-0.1 27,-0.2 -0.944 60.9-139.2-113.9 142.0 57.0 38.5 29.9 53 60 A S >> - 0 0 16 31,-2.4 4,-1.9 -2,-0.4 3,-1.1 -0.728 32.1-109.2 -90.8 151.5 54.3 36.4 31.3 54 61 A I H 3> S+ 0 0 0 -2,-0.3 4,-2.4 1,-0.3 5,-0.2 0.824 121.4 60.0 -46.0 -32.5 50.8 37.7 31.0 55 62 A A H 3> S+ 0 0 6 1,-0.2 4,-2.0 2,-0.2 -1,-0.3 0.892 104.8 45.2 -63.8 -44.4 51.1 38.2 34.8 56 63 A G H <>>S+ 0 0 0 -3,-1.1 5,-3.5 28,-0.4 4,-0.8 0.801 112.9 52.2 -72.2 -30.8 54.0 40.6 34.5 57 64 A W H <5S+ 0 0 29 -4,-1.9 -2,-0.2 3,-0.2 -1,-0.2 0.965 113.4 40.3 -67.5 -54.8 52.4 42.5 31.7 58 65 A L H <5S+ 0 0 2 -4,-2.4 -2,-0.2 1,-0.3 -3,-0.1 0.899 117.9 46.6 -66.5 -43.3 49.1 43.2 33.4 59 66 A L H <5S- 0 0 0 -4,-2.0 83,-1.6 -5,-0.2 84,-0.6 0.764 113.5-121.1 -68.9 -22.7 50.5 44.0 36.8 60 67 A G T <5 - 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