==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER VIRAL PROTEIN 01-OCT-07 2RFU . COMPND 2 MOLECULE: INFLUENZA B HEMAGGLUTININ (HA); . SOURCE 2 ORGANISM_SCIENTIFIC: INFLUENZA B VIRUS (STRAIN B/HONG KONG/ . AUTHOR Q.WANG,X.TIAN,X.CHEN,J.MA . 511 2 7 6 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 24286.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 306 59.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 19 3.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 90 17.6 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 . 3 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.6 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 . 1 0.2 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 . 51 10.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 27 5.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 92 18.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 0.6 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 2 1 0 1 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 RESIDUES PER ALPHA HELIX . 3 3 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 0 0 0 PARALLEL BRIDGES PER LADDER . 2 2 7 4 0 3 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 . 3 3 1 0 0 1 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 1 A D 0 0 46 0, 0.0 482,-3.1 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 142.3 64.6 35.3 86.3 2 2 A R E -AB 370 482A 96 368,-1.7 368,-2.0 480,-0.2 2,-0.4 -0.920 360.0-176.9-119.6 118.3 63.4 35.1 82.7 3 3 A I E +AB 369 481A 0 478,-1.8 478,-2.7 -2,-0.5 2,-0.3 -0.922 22.9 174.6-103.3 134.0 63.9 32.4 80.1 4 4 A a E -AB 368 480A 10 364,-1.6 364,-2.2 -2,-0.4 2,-0.3 -0.926 34.1-109.5-136.7 160.3 62.5 33.3 76.7 5 5 A T E +A 367 0A 17 474,-1.9 2,-0.3 -2,-0.3 362,-0.3 -0.686 45.2 169.6 -84.9 146.7 62.2 32.1 73.2 6 6 A G E -A 366 0A 6 360,-2.9 360,-2.7 -2,-0.3 2,-0.3 -0.976 26.8-138.2-152.0 161.4 64.2 34.1 70.6 7 7 A I E -Ac 365 356A 0 348,-0.6 350,-0.9 -2,-0.3 358,-0.2 -0.808 34.1 -96.5-116.9 166.9 65.4 34.2 67.0 8 8 A T - 0 0 10 356,-2.4 2,-0.4 -2,-0.3 350,-0.3 -0.238 16.0-146.9 -79.9 164.1 68.8 35.3 65.6 9 9 A S + 0 0 4 348,-0.5 350,-0.4 347,-0.2 2,-0.3 -0.994 39.6 140.6-122.7 132.5 70.0 38.5 64.1 10 10 A S - 0 0 40 -2,-0.4 325,-0.2 325,-0.3 348,-0.0 -0.982 58.1 -50.3-162.9 169.5 72.6 38.0 61.4 11 11 A N + 0 0 131 -2,-0.3 3,-0.1 1,-0.1 -2,-0.0 -0.259 53.0 175.1 -50.0 123.9 73.9 39.2 58.1 12 12 A S + 0 0 10 1,-0.1 15,-0.2 16,-0.0 16,-0.1 -0.564 19.9 145.0-138.5 67.7 70.9 39.2 55.8 13 13 A P + 0 0 74 0, 0.0 2,-0.3 0, 0.0 14,-0.1 0.736 50.0 89.9 -81.0 -21.9 71.8 40.6 52.4 14 14 A H E -G 26 0B 66 12,-0.8 12,-3.5 13,-0.2 2,-0.4 -0.589 64.6-152.8 -84.5 135.6 69.5 38.4 50.4 15 15 A V E -G 25 0B 36 -2,-0.3 2,-0.4 10,-0.3 10,-0.3 -0.892 8.1-164.2-111.4 135.8 66.0 39.7 49.7 16 16 A V E -G 24 0B 0 8,-3.6 8,-3.1 -2,-0.4 2,-0.5 -0.966 19.0-124.5-126.1 141.6 62.9 37.4 49.2 17 17 A K E +G 23 0B 53 -2,-0.4 2,-0.3 6,-0.2 6,-0.2 -0.678 34.7 175.4 -82.7 121.1 59.5 38.2 47.7 18 18 A T - 0 0 9 4,-1.6 4,-0.3 -2,-0.5 427,-0.1 -0.915 32.2-133.2-128.8 161.3 56.5 37.3 50.0 19 19 A A S S+ 0 0 63 425,-0.4 3,-0.3 -2,-0.3 -1,-0.1 0.907 101.0 29.8 -78.6 -48.7 52.7 37.7 49.8 20 20 A T S S+ 0 0 102 1,-0.2 -1,-0.1 2,-0.1 428,-0.0 0.773 129.2 37.0 -84.8 -28.4 51.7 39.0 53.3 21 21 A Q S S- 0 0 50 1,-0.4 -1,-0.2 3,-0.0 -2,-0.2 0.074 94.8-135.5-117.3 23.2 55.0 40.9 54.1 22 22 A G - 0 0 42 -4,-0.3 -4,-1.6 -3,-0.3 2,-0.5 -0.168 68.1 -12.4 52.6-150.2 56.1 42.4 50.8 23 23 A E E S-G 17 0B 140 -6,-0.2 2,-0.3 -4,-0.1 -6,-0.2 -0.702 77.5-171.2 -85.5 127.4 59.8 42.0 50.0 24 24 A V E -G 16 0B 7 -8,-3.1 -8,-3.6 -2,-0.5 2,-0.3 -0.869 23.3-119.1-123.6 150.7 61.8 40.9 53.1 25 25 A N E -G 15 0B 69 -2,-0.3 309,-2.8 -10,-0.3 2,-0.3 -0.690 34.8-161.1 -86.0 141.3 65.5 40.5 53.9 26 26 A V E -GH 14 333B 0 -12,-3.5 -12,-0.8 -2,-0.3 307,-0.2 -0.954 29.0-126.7-135.0 144.3 66.7 36.9 54.8 27 27 A T S S- 0 0 30 305,-2.3 2,-0.3 -2,-0.3 -13,-0.2 0.917 91.4 -11.3 -45.4 -59.0 69.6 35.2 56.6 28 28 A G - 0 0 16 -16,-0.1 302,-1.6 -15,-0.1 2,-0.3 -0.856 63.3-152.3-140.2 174.6 70.3 32.9 53.7 29 29 A V E -I 329 0C 31 -2,-0.3 300,-0.2 300,-0.2 -13,-0.0 -0.996 15.3-139.3-151.4 148.7 68.9 31.7 50.4 30 30 A I E -I 328 0C 25 298,-3.0 298,-2.8 -2,-0.3 2,-0.1 -0.948 31.1-139.4-106.3 109.3 68.9 28.8 48.0 31 31 A P E -I 327 0C 59 0, 0.0 296,-0.2 0, 0.0 -2,-0.0 -0.464 21.5-176.9 -69.0 143.7 69.1 30.1 44.4 32 32 A L + 0 0 0 294,-2.1 274,-2.0 -2,-0.1 2,-0.2 0.267 62.6 69.3-117.2 3.3 67.0 28.3 41.8 33 33 A T + 0 0 17 293,-0.5 2,-0.3 272,-0.1 274,-0.2 -0.704 48.1 172.1-121.8 167.5 68.2 30.4 38.9 34 34 A T - 0 0 66 -2,-0.2 274,-2.7 270,-0.1 269,-0.0 -0.904 32.5-127.8-163.5 151.3 71.4 30.9 36.8 35 35 A T - 0 0 83 -2,-0.3 274,-0.1 272,-0.2 272,-0.0 -0.913 35.3-144.2-103.4 103.5 72.1 32.8 33.6 36 36 A P - 0 0 17 0, 0.0 2,-0.4 0, 0.0 261,-0.1 -0.126 11.7-125.0 -62.2 167.2 73.7 30.1 31.5 37 37 A T - 0 0 119 260,-0.1 2,-0.0 1,-0.0 0, 0.0 -0.914 31.2 -89.4-121.3 143.1 76.6 31.1 29.2 38 38 A K + 0 0 138 -2,-0.4 2,-0.3 1,-0.0 260,-0.2 -0.253 58.0 165.7 -55.1 120.0 76.8 30.6 25.4 39 39 A S - 0 0 52 258,-3.2 260,-0.3 257,-0.1 2,-0.1 -0.837 37.7 -84.4-131.4 173.2 78.5 27.3 24.7 40 40 A H - 0 0 84 -2,-0.3 259,-0.4 258,-0.2 2,-0.1 -0.345 50.4 -98.3 -77.1 157.6 79.0 24.8 21.8 41 41 A F - 0 0 3 242,-0.5 246,-2.1 257,-0.2 2,-0.2 -0.424 43.3-178.8 -81.5 151.4 76.4 22.3 20.8 42 42 A A - 0 0 2 244,-0.2 2,-0.7 -2,-0.1 247,-0.3 -0.476 36.9 -73.1-130.9-164.3 76.7 18.7 22.0 43 43 A N E -j 289 0D 53 245,-2.0 247,-0.6 -2,-0.2 5,-0.1 -0.911 47.4-121.3-106.7 109.8 74.9 15.4 21.7 44 44 A L E -j 290 0D 16 -2,-0.7 3,-0.4 245,-0.2 247,-0.2 -0.260 29.5-127.2 -47.3 133.4 71.7 15.2 23.7 45 45 A K S S+ 0 0 125 245,-1.0 -1,-0.1 1,-0.2 246,-0.1 0.955 93.6 29.9 -54.4 -81.3 72.2 12.3 26.1 46 46 A G S S+ 0 0 85 245,-0.1 2,-0.3 2,-0.0 -1,-0.2 0.462 120.6 55.1 -67.5 -2.6 69.3 9.8 25.9 47 47 A T S S- 0 0 42 -3,-0.4 2,-0.2 32,-0.0 32,-0.0 -0.904 84.9-110.9-131.9 157.7 68.7 10.5 22.3 48 48 A Q - 0 0 141 -2,-0.3 33,-1.7 -5,-0.1 32,-0.8 -0.639 31.4-132.7 -95.1 149.4 70.8 10.5 19.1 49 49 A T E -k 81 0E 29 -2,-0.2 2,-0.4 30,-0.2 33,-0.2 -0.791 15.0-167.2-116.2 144.4 71.8 13.6 17.2 50 50 A R E +k 82 0E 12 31,-1.1 33,-3.7 -2,-0.3 3,-0.1 -0.943 28.0 143.6-122.5 138.6 71.7 14.7 13.5 51 51 A G S S+ 0 0 16 -2,-0.4 2,-0.3 1,-0.3 34,-0.1 0.168 80.3 46.6-151.0 6.7 73.4 17.8 12.0 52 52 A K S S- 0 0 140 1,-0.1 -1,-0.3 10,-0.1 5,-0.1 -0.851 81.0-137.8-153.2 102.8 74.4 16.2 8.7 53 53 A L S S+ 0 0 1 -2,-0.3 -1,-0.1 1,-0.2 9,-0.1 0.829 98.0 26.3 -32.7 -36.6 71.5 14.3 7.2 54 54 A b - 0 0 9 1,-0.1 -1,-0.2 22,-0.1 3,-0.1 -0.993 54.2-177.5-136.9 131.4 74.4 11.9 6.5 55 55 A P S > S+ 0 0 96 0, 0.0 3,-0.8 0, 0.0 -1,-0.1 0.855 92.1 50.7 -84.8 -41.1 77.8 11.2 8.2 56 56 A N T 3 S+ 0 0 98 1,-0.2 19,-0.2 19,-0.2 17,-0.1 0.238 91.5 81.3 -84.2 16.2 79.0 8.5 5.7 57 57 A b T 3 S- 0 0 1 1,-0.2 -1,-0.2 17,-0.2 17,-0.1 0.091 82.6-160.5-103.5 17.9 78.2 10.8 2.7 58 58 A L < + 0 0 126 -3,-0.8 2,-1.2 1,-0.1 -1,-0.2 0.260 53.7 13.6 44.9-158.1 81.5 12.8 3.2 59 59 A N S S+ 0 0 146 12,-0.0 2,-0.3 33,-0.0 -1,-0.1 -0.316 98.6 105.8 -52.6 86.3 82.3 16.3 1.8 60 60 A c - 0 0 30 -2,-1.2 2,-0.2 11,-0.1 -3,-0.1 -0.955 66.7-105.0-155.0 169.0 78.8 17.4 0.8 61 61 A T > - 0 0 13 -2,-0.3 4,-1.8 1,-0.1 30,-0.1 -0.565 30.0-121.3 -91.8 168.4 75.9 19.7 1.6 62 62 A D H > S+ 0 0 9 2,-0.2 4,-2.9 -2,-0.2 -1,-0.1 0.839 117.9 52.2 -75.4 -35.7 72.7 18.4 3.1 63 63 A L H > S+ 0 0 1 27,-0.6 4,-3.4 2,-0.2 5,-0.2 0.911 106.0 54.5 -64.6 -44.6 70.9 19.8 0.1 64 64 A D H >>S+ 0 0 0 26,-0.5 5,-1.8 2,-0.2 4,-0.9 0.952 112.2 43.1 -50.1 -54.6 73.3 17.9 -2.1 65 65 A V H ><5S+ 0 0 7 -4,-1.8 3,-0.9 1,-0.2 -2,-0.2 0.921 113.3 53.1 -59.1 -45.6 72.4 14.7 -0.3 66 66 A A H 3<5S+ 0 0 0 -4,-2.9 -2,-0.2 1,-0.3 -1,-0.2 0.932 108.5 49.3 -52.7 -50.7 68.7 15.7 -0.5 67 67 A L H 3<5S- 0 0 1 -4,-3.4 88,-0.7 -5,-0.1 89,-0.3 0.601 115.1-116.6 -70.6 -15.9 68.8 16.3 -4.2 68 68 A G T <<5 - 0 0 8 -4,-0.9 86,-3.2 -3,-0.9 -3,-0.2 0.829 43.1-177.7 85.4 34.6 70.5 12.9 -4.8 69 69 A R < - 0 0 35 -5,-1.8 -1,-0.1 84,-0.3 76,-0.1 -0.291 36.6-102.3 -64.6 154.5 73.9 14.0 -6.2 70 70 A P S S+ 0 0 29 0, 0.0 3,-0.2 0, 0.0 76,-0.1 0.825 111.8 26.8 -49.9 -62.6 76.3 11.1 -7.2 71 71 A K S S+ 0 0 107 1,-0.2 2,-3.2 74,-0.1 -11,-0.1 0.925 110.0 72.2 -70.0 -45.6 78.9 10.8 -4.4 72 72 A c + 0 0 1 1,-0.2 -4,-0.2 -13,-0.1 -1,-0.2 -0.272 62.8 112.5 -74.5 60.0 76.6 12.2 -1.7 73 73 A M + 0 0 72 -2,-3.2 2,-0.3 -3,-0.2 -1,-0.2 -0.149 36.5 152.8-123.5 35.9 74.5 9.0 -1.6 74 74 A G - 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