==== 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 2WRD . 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, . 1439 7 18 15 3 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 58264.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 921 64.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 86 6.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 262 18.2 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 . 28 1.9 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 . 1 0.1 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 . 147 10.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 80 5.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 266 18.5 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 0 6 1 2 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 . 10 9 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 . 20 24 12 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 . 12 12 6 0 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 8 A a 0 0 47 0, 0.0 343,-1.0 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 130.5 -39.5 26.9 -18.1 2 9 A I E +A 343 0A 5 444,-3.2 2,-0.3 341,-0.2 341,-0.2 -0.852 360.0 143.2-105.0 142.5 -40.0 23.9 -15.9 3 10 A G E -A 342 0A 0 339,-1.4 339,-1.6 -2,-0.4 2,-0.3 -0.938 35.3-113.2-161.5-179.2 -38.7 23.7 -12.4 4 11 A Y E -A 341 0A 0 327,-0.4 329,-3.3 -2,-0.3 337,-0.2 -0.773 36.7 -81.7-128.5 170.8 -39.2 22.6 -8.8 5 12 A H B +b 333 0B 19 335,-1.9 311,-0.4 -2,-0.3 2,-0.3 -0.157 37.6 178.5 -70.7 160.6 -39.7 24.1 -5.3 6 13 A A + 0 0 1 327,-0.9 2,-0.3 330,-0.4 309,-0.1 -0.971 6.0 162.3-156.7 160.0 -37.2 25.6 -2.9 7 14 A N - 0 0 28 -2,-0.3 327,-0.1 2,-0.2 325,-0.1 -0.924 50.9 -73.7-165.1-173.4 -37.2 27.2 0.6 8 15 A N S S+ 0 0 157 -2,-0.3 2,-0.1 326,-0.1 16,-0.0 0.371 76.7 130.7 -77.6 4.1 -35.6 28.3 3.9 9 16 A S + 0 0 27 1,-0.1 -2,-0.2 15,-0.1 16,-0.1 -0.346 33.4 177.9 -74.9 135.9 -35.3 24.8 5.2 10 17 A T + 0 0 118 -2,-0.1 2,-0.3 12,-0.1 -1,-0.1 0.068 36.9 135.6-115.3 20.0 -32.0 23.5 6.7 11 18 A E - 0 0 93 12,-0.4 12,-2.4 13,-0.1 2,-0.4 -0.556 41.4-151.8 -75.7 128.4 -33.4 20.1 7.6 12 19 A K E -C 22 0C 81 -2,-0.3 2,-0.3 10,-0.2 10,-0.2 -0.834 15.4-179.6-107.2 139.3 -31.1 17.2 6.7 13 20 A V E -C 21 0C 0 8,-1.6 8,-3.0 -2,-0.4 2,-0.3 -0.881 18.5-134.2-123.6 160.6 -31.9 13.6 5.8 14 21 A D - 0 0 30 294,-0.3 2,-0.3 -2,-0.3 5,-0.2 -0.848 16.4-169.6-107.5 151.7 -29.7 10.7 4.9 15 22 A T - 0 0 2 3,-3.0 397,-0.2 -2,-0.3 396,-0.1 -0.794 43.5 -97.5-122.2 176.9 -30.2 8.2 2.1 16 23 A I S S+ 0 0 0 395,-1.3 835,-0.4 -2,-0.3 834,-0.2 0.893 124.6 35.7 -54.7 -37.4 -28.5 5.0 1.4 17 24 A L S S+ 0 0 19 394,-0.2 830,-0.3 830,-0.1 2,-0.3 0.717 124.0 21.8 -97.9 -26.9 -26.3 6.9 -1.1 18 25 A E - 0 0 48 829,-0.1 -3,-3.0 830,-0.0 2,-0.3 -0.935 62.3-149.5-134.9 162.8 -25.7 10.3 0.4 19 26 A R S S+ 0 0 65 -2,-0.3 -5,-0.2 -5,-0.2 -3,-0.0 -0.952 71.4 28.5-133.5 160.5 -25.8 11.9 3.8 20 27 A N S S+ 0 0 110 -2,-0.3 2,-0.7 1,-0.2 -6,-0.2 0.937 74.4 169.6 61.6 50.1 -26.6 15.3 5.2 21 28 A V E -C 13 0C 8 -8,-3.0 -8,-1.6 -3,-0.2 -1,-0.2 -0.830 31.5-133.4-100.2 108.8 -28.9 16.1 2.3 22 29 A T E -C 12 0C 41 -2,-0.7 293,-3.3 -10,-0.2 2,-0.4 -0.332 28.8-171.2 -60.7 127.3 -31.0 19.3 2.8 23 30 A V B -D 314 0D 0 -12,-2.4 -12,-0.4 291,-0.3 291,-0.2 -0.930 33.3-127.6-125.6 147.2 -34.7 18.7 1.9 24 31 A T S S+ 0 0 5 289,-3.4 2,-0.3 -2,-0.4 290,-0.1 0.829 93.7 13.0 -55.8 -33.3 -37.6 21.0 1.5 25 32 A H + 0 0 76 288,-0.3 286,-1.0 -14,-0.1 287,-0.6 -0.955 63.8 174.4-148.2 160.6 -39.7 18.9 3.9 26 33 A A E -E 310 0E 24 -2,-0.3 2,-0.3 284,-0.3 284,-0.2 -0.969 17.2-154.5-163.0 161.9 -39.3 16.1 6.5 27 34 A K E -E 309 0E 98 282,-2.0 282,-1.8 -2,-0.3 2,-0.3 -0.890 17.7-143.6-150.0 109.7 -41.3 14.1 9.1 28 35 A D E -E 308 0E 37 -2,-0.3 280,-0.2 280,-0.2 257,-0.1 -0.634 11.0-169.9 -76.2 134.9 -39.5 12.5 12.0 29 36 A I + 0 0 1 278,-2.6 258,-1.0 -2,-0.3 2,-0.7 0.203 56.1 101.2-108.4 14.4 -41.0 9.2 12.8 30 37 A L E -f 287 0F 3 277,-0.2 2,-0.6 256,-0.1 258,-0.2 -0.882 66.3-144.8-102.3 110.2 -39.1 8.7 16.1 31 38 A E E +f 288 0F 25 256,-3.6 258,-1.5 -2,-0.7 259,-0.4 -0.588 32.6 159.8 -72.2 112.2 -41.3 9.5 19.1 32 39 A K + 0 0 96 -2,-0.6 2,-0.4 256,-0.2 -1,-0.1 0.229 38.4 89.2-124.4 18.0 -38.9 11.1 21.6 33 40 A T + 0 0 94 2,-0.0 249,-0.3 249,-0.0 2,-0.2 -0.966 41.1 177.4-126.5 131.9 -41.0 13.0 24.0 34 41 A H - 0 0 82 -2,-0.4 247,-0.2 247,-0.1 245,-0.1 -0.582 34.4-123.0-109.9 177.5 -42.7 12.1 27.3 35 42 A N - 0 0 70 245,-1.1 244,-0.1 2,-0.3 3,-0.1 0.079 38.3-118.7-111.6 26.4 -44.7 14.4 29.6 36 43 A G S S+ 0 0 52 242,-0.2 2,-0.3 1,-0.2 243,-0.2 0.476 79.5 113.2 54.6 5.4 -42.7 13.8 32.8 37 44 A K - 0 0 88 243,-0.2 243,-0.7 228,-0.1 2,-0.4 -0.768 64.5-138.9-113.4 148.6 -45.9 12.4 34.3 38 45 A L E +h 267 0G 9 228,-0.7 230,-2.5 -2,-0.3 231,-0.3 -0.909 41.1 177.1 -98.1 136.0 -47.2 9.1 35.6 39 46 A b E - 0 0 0 -2,-0.4 232,-0.2 228,-0.2 228,-0.1 -0.663 35.2 -75.7-135.5 175.4 -50.8 8.7 34.5 40 47 A K E -h 271 0G 56 230,-1.0 232,-0.7 -2,-0.2 2,-0.5 -0.355 46.6-132.5 -66.9 163.1 -53.9 6.5 34.4 41 48 A L E > S-hI 272 44G 3 3,-2.9 3,-1.1 230,-0.2 232,-0.2 -0.955 76.8 -22.9-127.0 108.9 -53.5 3.7 31.9 42 49 A N T 3 S- 0 0 74 230,-1.6 -1,-0.1 -2,-0.5 231,-0.1 0.827 130.6 -45.9 58.1 35.4 -56.5 3.3 29.6 43 50 A G T 3 S+ 0 0 44 229,-0.2 -1,-0.2 1,-0.2 230,-0.1 0.412 120.6 100.1 94.9 -1.1 -58.8 5.0 32.1 44 51 A I B < -I 41 0G 43 -3,-1.1 -3,-2.9 -5,-0.0 -1,-0.2 -0.964 67.1-124.8-124.9 135.2 -57.6 3.1 35.2 45 52 A P - 0 0 38 0, 0.0 29,-1.8 0, 0.0 30,-0.3 -0.141 25.0-111.7 -70.2 165.8 -55.2 4.3 37.8 46 53 A P - 0 0 2 0, 0.0 2,-0.5 0, 0.0 30,-0.2 -0.638 35.1-103.6 -85.6 154.1 -52.0 2.5 38.9 47 54 A L E -j 76 0H 0 28,-3.3 30,-3.5 -2,-0.2 2,-0.8 -0.732 38.1-148.3 -74.8 128.1 -51.8 1.0 42.4 48 55 A E E +j 77 0H 30 -2,-0.5 20,-0.6 28,-0.2 21,-0.3 -0.850 23.1 174.7-108.5 99.8 -49.6 3.6 44.2 49 56 A L > - 0 0 0 28,-1.9 3,-1.4 -2,-0.8 -1,-0.1 0.455 18.1-160.2 -88.0 0.3 -47.5 1.8 46.8 50 57 A G T 3 S- 0 0 38 1,-0.2 29,-0.5 215,-0.1 2,-0.4 -0.334 73.8 -25.3 53.5-137.4 -45.4 4.8 48.0 51 58 A D T 3 S+ 0 0 66 27,-0.1 33,-1.0 -3,-0.1 2,-0.4 -0.360 111.0 114.9-102.8 56.4 -42.4 3.2 49.6 52 59 A c B < -l 84 0I 3 -3,-1.4 2,-0.2 -2,-0.4 33,-0.2 -0.981 60.9-133.7-118.6 133.8 -44.2 -0.0 50.6 53 60 A S >> - 0 0 13 31,-2.2 4,-2.3 -2,-0.4 3,-0.9 -0.552 30.8-111.3 -76.5 151.8 -43.2 -3.4 49.2 54 61 A I H 3> S+ 0 0 0 1,-0.3 4,-1.7 2,-0.2 5,-0.3 0.750 121.1 57.8 -56.0 -21.2 -46.1 -5.6 48.0 55 62 A A H 3> S+ 0 0 4 2,-0.2 4,-2.2 1,-0.2 -1,-0.3 0.876 107.1 44.9 -75.6 -40.1 -45.2 -7.8 50.9 56 63 A G H <>>S+ 0 0 0 -3,-0.9 5,-2.9 28,-0.4 4,-1.3 0.889 113.1 51.4 -68.1 -40.6 -45.6 -5.0 53.5 57 64 A W H <5S+ 0 0 27 -4,-2.3 -2,-0.2 3,-0.2 -1,-0.2 0.946 118.6 35.0 -64.4 -50.2 -48.9 -3.8 51.9 58 65 A L H <5S+ 0 0 2 -4,-1.7 -2,-0.2 1,-0.2 -1,-0.2 0.944 119.0 48.4 -68.1 -56.7 -50.5 -7.2 51.9 59 66 A L H <5S- 0 0 1 -4,-2.2 83,-1.3 -5,-0.3 84,-0.3 0.778 114.0-124.7 -54.8 -23.4 -49.0 -8.4 55.1 60 67 A G T <5 - 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