==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=9-AUG-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER VIRAL PROTEIN 14-MAY-13 4KPQ . COMPND 2 MOLECULE: HEMAGGLUTININ; . SOURCE 2 ORGANISM_SCIENTIFIC: INFLUENZA A VIRUS; . AUTHOR X.LU,J.QI,Y.SHI,G.GAO . 1467 6 18 15 3 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 57896.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 940 64.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 90 6.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 294 20.0 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 . 6 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 21 1.4 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 . 133 9.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 78 5.3 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 . 9 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 0 3 3 6 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 . 12 12 3 3 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 . 15 15 21 3 3 6 3 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 3 3 0 0 3 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 4 A I 0 0 180 0, 0.0 2,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-166.4 61.0 -40.8 50.4 2 5 A Q - 0 0 65 1,-0.1 2,-0.2 350,-0.0 463,-0.1 -0.539 360.0 -89.0-106.0 169.9 61.9 -41.4 46.8 3 6 A D - 0 0 5 463,-0.4 461,-2.3 461,-0.2 2,-0.3 -0.536 51.0-174.8 -72.6 145.0 62.2 -39.4 43.6 4 7 A R E -AB 351 463A 51 347,-1.7 347,-2.5 459,-0.2 2,-0.4 -0.996 21.1-162.6-147.7 148.6 58.9 -39.2 41.6 5 8 A I E -AB 350 462A 1 457,-1.6 457,-1.9 -2,-0.3 2,-0.3 -0.997 14.9-162.1-132.7 139.1 57.5 -37.9 38.4 6 9 A a E -AB 349 461A 7 343,-2.5 343,-2.2 -2,-0.4 2,-0.4 -0.897 14.0-139.6-125.5 150.3 53.8 -37.4 37.6 7 10 A V E +A 348 0A 2 453,-2.7 2,-0.2 -2,-0.3 341,-0.2 -0.912 38.5 148.6-105.9 132.6 51.6 -36.9 34.5 8 11 A G E -A 347 0A 0 339,-1.9 339,-1.9 -2,-0.4 2,-0.3 -0.827 31.4-124.6-149.7-173.5 48.8 -34.3 34.6 9 12 A Y E -A 346 0A 0 327,-0.4 329,-3.7 -2,-0.2 337,-0.2 -0.877 35.9 -75.1-141.2 170.6 46.7 -31.8 32.8 10 13 A L B -e 338 0B 26 335,-1.7 2,-0.3 -2,-0.3 311,-0.3 -0.376 36.3-179.5 -74.7 139.3 45.6 -28.1 32.8 11 14 A S + 0 0 5 327,-1.2 329,-0.4 309,-0.1 330,-0.4 -0.980 10.2 176.6-130.1 147.1 43.2 -26.6 35.3 12 15 A T - 0 0 47 -2,-0.3 2,-0.9 327,-0.1 325,-0.1 -0.779 42.3 -94.6-136.6-179.5 42.1 -22.9 35.2 13 16 A N + 0 0 165 -2,-0.2 2,-0.4 16,-0.1 16,-0.0 -0.742 69.7 139.3 -98.5 80.8 39.8 -20.3 36.9 14 17 A S - 0 0 45 -2,-0.9 -2,-0.1 2,-0.1 16,-0.1 -0.968 47.6-171.5-129.0 142.9 36.9 -20.5 34.4 15 18 A S + 0 0 108 -2,-0.4 -1,-0.1 14,-0.1 14,-0.1 0.268 54.3 133.5-101.2 3.3 33.2 -20.5 34.7 16 19 A E + 0 0 73 12,-0.2 12,-1.8 13,-0.1 2,-0.3 -0.316 33.6 179.7 -56.7 128.9 33.2 -21.4 31.0 17 20 A R E -F 27 0C 138 10,-0.2 2,-0.3 -2,-0.1 296,-0.1 -0.978 14.9-173.1-137.4 147.6 30.9 -24.2 30.2 18 21 A V E -F 26 0C 4 8,-2.1 8,-3.2 -2,-0.3 2,-0.4 -0.910 22.3-124.6-130.5 161.4 29.8 -26.2 27.1 19 22 A D - 0 0 80 294,-0.3 2,-0.2 -2,-0.3 5,-0.2 -0.870 23.9-167.7-102.5 141.5 27.2 -28.8 26.4 20 23 A T - 0 0 5 3,-3.6 406,-0.2 -2,-0.4 405,-0.2 -0.706 38.4-102.9-114.7 176.1 28.1 -32.2 24.9 21 24 A L S S+ 0 0 0 404,-1.4 848,-0.3 -2,-0.2 849,-0.1 0.853 123.2 35.3 -65.3 -33.3 25.8 -34.9 23.5 22 25 A L S S+ 0 0 21 403,-0.2 2,-0.3 1,-0.2 843,-0.3 0.592 124.1 33.2 -97.3 -13.4 26.2 -36.9 26.7 23 26 A E - 0 0 66 842,-0.1 -3,-3.6 402,-0.1 2,-0.4 -0.999 64.7-136.3-151.4 142.6 26.4 -34.1 29.3 24 27 A N S S+ 0 0 102 -2,-0.3 -5,-0.2 -5,-0.2 -3,-0.0 -0.782 81.2 4.3 -98.6 140.8 25.1 -30.7 30.0 25 28 A G S S- 0 0 22 -2,-0.4 -6,-0.2 1,-0.2 -1,-0.2 0.923 73.8-178.2 58.2 54.9 27.2 -27.8 31.3 26 29 A V E -F 18 0C 0 -8,-3.2 -8,-2.1 -3,-0.3 -1,-0.2 -0.754 27.8-121.4 -87.6 125.0 30.6 -29.3 31.3 27 30 A P E -F 17 0C 40 0, 0.0 293,-2.4 0, 0.0 2,-0.3 -0.445 37.1-179.7 -64.1 130.3 33.4 -27.0 32.6 28 31 A V B -G 319 0D 1 -12,-1.8 291,-0.2 291,-0.3 -12,-0.2 -0.936 36.5-129.2-132.2 158.0 36.1 -26.5 30.1 29 32 A T S S+ 0 0 10 289,-1.9 2,-0.3 -2,-0.3 -13,-0.1 0.793 90.3 0.0 -76.3 -28.6 39.4 -24.5 30.0 30 33 A S + 0 0 37 288,-0.2 286,-2.5 -16,-0.1 287,-2.2 -0.983 63.4 165.8-161.0 150.2 38.6 -22.7 26.8 31 34 A S E -H 315 0E 22 -2,-0.3 2,-0.3 284,-0.3 284,-0.2 -0.973 20.3-134.1-157.5 165.3 35.9 -22.4 24.1 32 35 A I E -H 314 0E 60 282,-2.3 282,-2.6 -2,-0.3 2,-0.4 -0.903 21.3-115.4-127.5 158.3 34.7 -20.3 21.1 33 36 A D E -H 313 0E 55 -2,-0.3 280,-0.2 280,-0.2 278,-0.0 -0.785 17.6-170.6 -93.4 131.7 31.4 -18.9 19.9 34 37 A L + 0 0 8 278,-2.3 258,-1.0 -2,-0.4 2,-0.5 0.723 65.9 71.7 -89.3 -24.1 30.0 -20.2 16.6 35 38 A I E S-i 292 0F 0 277,-0.3 2,-0.4 256,-0.1 258,-0.3 -0.824 73.9-135.5-107.0 128.9 27.2 -17.7 16.2 36 39 A E E +i 293 0F 18 256,-3.3 258,-1.3 -2,-0.5 259,-0.3 -0.658 29.1 165.8 -79.7 128.7 27.5 -14.0 15.4 37 40 A T + 0 0 61 -2,-0.4 2,-0.4 256,-0.2 -1,-0.1 0.390 47.8 89.1-121.8 -3.2 25.3 -11.9 17.6 38 41 A N + 0 0 119 249,-0.0 249,-0.4 2,-0.0 2,-0.3 -0.845 45.7 162.0-107.6 135.9 26.8 -8.4 17.0 39 42 A H - 0 0 75 -2,-0.4 247,-0.2 247,-0.1 245,-0.0 -0.905 46.9-112.1-142.9 169.6 25.8 -6.0 14.2 40 43 A T - 0 0 60 245,-2.4 244,-0.1 -2,-0.3 3,-0.1 0.764 37.9-137.7 -76.4 -27.0 26.1 -2.3 13.4 41 44 A G S S+ 0 0 28 1,-0.3 230,-0.5 244,-0.2 2,-0.3 0.615 72.3 89.5 76.8 13.3 22.4 -1.6 13.8 42 45 A T E S-k 271 0G 27 228,-0.1 2,-0.6 243,-0.1 243,-0.4 -0.853 87.6 -95.9-134.9 166.3 22.6 0.5 10.6 43 46 A Y E +k 272 0G 2 228,-2.8 230,-2.7 -2,-0.3 2,-0.2 -0.798 52.0 179.4 -82.7 120.0 22.3 0.4 6.8 44 47 A b E - 0 0 1 -2,-0.6 232,-0.2 228,-0.2 2,-0.2 -0.659 36.4 -86.2-114.8 170.4 25.8 0.0 5.5 45 48 A S E -k 276 0G 27 230,-2.1 232,-2.1 -2,-0.2 2,-0.7 -0.534 44.5-128.5 -69.2 146.3 27.4 -0.3 2.1 46 49 A L E > S-kL 277 49G 14 3,-2.8 3,-1.3 1,-0.2 232,-0.2 -0.879 75.1 -30.1-107.3 105.6 27.4 -3.9 1.0 47 50 A N T 3 S- 0 0 93 230,-2.5 -1,-0.2 -2,-0.7 231,-0.1 0.888 128.3 -42.2 55.3 45.3 30.8 -5.2 -0.2 48 51 A G T 3 S+ 0 0 58 229,-0.2 2,-0.6 1,-0.2 -1,-0.3 0.286 118.5 109.5 90.8 -9.0 31.9 -1.7 -1.4 49 52 A V B < -L 46 0G 40 -3,-1.3 -3,-2.8 -5,-0.0 -1,-0.2 -0.890 60.8-141.2-109.3 117.5 28.6 -0.9 -3.0 50 53 A S - 0 0 56 -2,-0.6 29,-0.9 -5,-0.3 -5,-0.1 -0.389 16.4-130.8 -71.6 147.0 26.3 1.7 -1.4 51 54 A P - 0 0 9 0, 0.0 2,-0.4 0, 0.0 30,-0.2 -0.060 20.5-112.5 -78.7-169.5 22.5 1.2 -1.4 52 55 A V E -m 81 0H 17 28,-1.7 30,-2.4 23,-0.0 2,-0.4 -0.978 16.9-148.5-132.2 121.7 19.9 3.7 -2.5 53 56 A H E -m 82 0H 85 -2,-0.4 30,-0.2 28,-0.2 3,-0.1 -0.713 5.0-152.2 -84.4 136.8 17.5 5.4 -0.1 54 57 A L > - 0 0 0 28,-2.7 3,-2.2 -2,-0.4 2,-0.2 0.373 24.2-158.2 -92.6 4.9 14.1 6.2 -1.7 55 58 A G T 3 - 0 0 26 1,-0.3 29,-0.3 27,-0.2 -1,-0.3 -0.350 67.1 -16.4 61.1-120.4 13.5 9.1 0.6 56 59 A D T 3 S+ 0 0 102 -2,-0.2 33,-2.5 12,-0.2 2,-0.4 0.242 118.9 95.1-100.1 10.9 9.8 10.0 0.8 57 60 A c B < -o 89 0I 3 -3,-2.2 27,-0.4 31,-0.2 33,-0.2 -0.819 69.0-130.6-110.9 143.1 8.9 8.0 -2.3 58 61 A S > - 0 0 21 31,-2.9 4,-1.8 -2,-0.4 5,-0.2 -0.362 37.6-103.7 -74.0 166.1 7.7 4.4 -2.9 59 62 A F H > S+ 0 0 0 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.873 120.2 57.0 -60.2 -38.6 9.5 2.3 -5.4 60 63 A E H > S+ 0 0 19 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.936 109.4 42.8 -59.6 -50.6 6.7 2.8 -7.9 61 64 A G H >>S+ 0 0 0 28,-0.2 5,-3.2 1,-0.2 4,-0.9 0.816 115.1 51.8 -65.4 -32.0 6.9 6.6 -7.9 62 65 A W H <5S+ 0 0 8 -4,-1.8 10,-0.2 3,-0.2 -2,-0.2 0.888 108.4 49.6 -70.9 -40.8 10.7 6.4 -8.0 63 66 A I H <5S+ 0 0 0 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.717 115.9 41.3 -77.3 -21.4 10.9 4.0 -11.0 64 67 A V H <5S- 0 0 0 -4,-1.2 83,-1.8 -5,-0.2 84,-0.4 0.577 118.9-106.4-100.3 -13.7 8.5 6.1 -13.2 65 68 A G T <5 - 0 0 1 -4,-0.9 81,-2.0 80,-0.2 -3,-0.2 0.913 33.2-160.6 91.7 49.0 10.0 9.4 -12.1 66 69 A N > < - 0 0 3 -5,-3.2 3,-2.7 79,-0.2 -1,-0.1 -0.464 21.9-132.7 -55.7 120.4 7.6 11.2 -9.8 67 70 A P T 3 S+ 0 0 7 0, 0.0 71,-0.4 0, 0.0 -1,-0.2 0.722 106.1 58.2 -52.4 -26.2 8.7 14.9 -9.9 68 71 A A T 3 S+ 0 0 43 69,-0.2 2,-0.2 22,-0.1 -12,-0.2 0.608 94.9 83.3 -81.0 -13.5 8.6 15.0 -6.1 69 72 A c S < S- 0 0 3 -3,-2.7 2,-0.2 -8,-0.2 69,-0.1 -0.595 94.0-100.7 -86.8 151.7 11.1 12.2 -5.9 70 73 A T - 0 0 92 -2,-0.2 -4,-0.1 -16,-0.2 -5,-0.1 -0.524 50.3-103.4 -67.7 137.5 14.8 12.6 -6.2 71 74 A S - 0 0 44 -2,-0.2 3,-0.4 1,-0.1 -1,-0.1 -0.301 16.4-151.2 -69.2 146.0 16.0 11.7 -9.7 72 75 A N > + 0 0 3 -10,-0.2 3,-0.9 1,-0.2 43,-0.3 0.145 68.1 109.4 -98.2 17.7 17.7 8.4 -10.5 73 76 A F T 3 S+ 0 0 139 1,-0.2 42,-0.4 41,-0.1 -1,-0.2 0.817 78.6 44.6 -63.7 -33.9 19.6 9.9 -13.4 74 77 A G T 3 S+ 0 0 63 -3,-0.4 -1,-0.2 40,-0.1 2,-0.2 0.465 84.8 116.3 -93.2 -2.4 23.0 9.9 -11.6 75 78 A I < + 0 0 42 -3,-0.9 40,-0.3 1,-0.1 3,-0.1 -0.465 32.2 173.6 -72.5 136.3 22.7 6.3 -10.2 76 79 A R - 0 0 165 1,-0.4 37,-2.8 -2,-0.2 2,-0.3 0.626 64.4 -20.6-110.5 -24.6 25.3 3.8 -11.5 77 80 A E - 0 0 87 35,-0.2 -1,-0.4 -26,-0.1 2,-0.3 -0.970 51.2-156.8-174.7 160.1 24.6 0.9 -9.2 78 81 A W B -P 110 0J 2 32,-2.6 32,-1.4 -2,-0.3 3,-0.1 -0.939 15.2-156.2-156.9 142.0 23.0 -0.3 -6.0 79 82 A S S S- 0 0 15 -29,-0.9 2,-0.3 -2,-0.3 185,-0.1 0.843 82.6 -17.7 -81.0 -38.2 23.4 -3.2 -3.6 80 83 A Y - 0 0 0 183,-0.2 -28,-1.7 -30,-0.1 2,-0.3 -0.958 67.0-109.1-157.2 174.2 19.9 -2.9 -2.2 81 84 A L E -mn 52 265H 0 183,-3.0 185,-2.4 27,-0.3 2,-0.5 -0.867 13.7-152.1-114.1 146.9 17.0 -0.5 -1.7 82 85 A I E +mn 53 266H 3 -30,-2.4 -28,-2.7 -2,-0.3 2,-0.4 -0.972 22.9 176.7-117.8 118.8 15.7 1.4 1.3 83 86 A E - 0 0 9 183,-2.9 -25,-0.1 -2,-0.5 -27,-0.1 -0.968 30.2-133.1-128.4 134.2 12.0 2.2 1.3 84 87 A D > - 0 0 65 -2,-0.4 3,-1.6 -27,-0.4 184,-0.1 -0.767 16.9-146.8 -81.9 121.0 9.7 3.8 3.8 85 88 A P T 3 S+ 0 0 87 0, 0.0 -1,-0.1 0, 0.0 183,-0.0 0.761 99.6 44.7 -60.6 -27.3 6.5 1.6 4.0 86 89 A A T 3 S+ 0 0 79 -29,-0.0 -28,-0.0 -3,-0.0 -2,-0.0 -0.208 82.3 161.7-109.1 40.6 4.4 4.7 4.7 87 90 A A < - 0 0 23 -3,-1.6 -29,-0.2 1,-0.1 -30,-0.1 -0.443 35.1-146.9 -66.0 127.3 6.0 6.9 2.0 88 91 A P S S+ 0 0 94 0, 0.0 2,-0.4 0, 0.0 -31,-0.2 0.821 77.8 66.0 -64.5 -34.9 3.9 9.9 1.0 89 92 A H B +o 57 0I 71 -33,-2.5 -31,-2.9 -21,-0.1 -28,-0.2 -0.760 55.6 116.3-100.0 136.7 4.9 9.9 -2.6 90 93 A G S S+ 0 0 16 -2,-0.4 2,-1.2 -33,-0.2 -22,-0.1 -0.407 79.8 1.3-151.3-127.1 4.2 7.3 -5.2 91 94 A L - 0 0 26 1,-0.2 4,-0.3 4,-0.2 -30,-0.1 -0.688 66.8-165.0 -72.5 101.6 2.2 7.5 -8.4 92 95 A d S S+ 0 0 13 -2,-1.2 -1,-0.2 2,-0.1 128,-0.1 0.860 73.9 60.0 -62.6 -38.4 1.3 11.1 -8.1 93 96 A Y S S- 0 0 6 -3,-0.1 134,-0.1 1,-0.1 128,-0.1 -0.805 112.7 -90.9 -89.7 133.1 -1.5 10.8 -10.7 94 97 A P S S+ 0 0 0 0, 0.0 133,-1.6 0, 0.0 2,-0.3 -0.197 83.4 100.8 -44.5 109.3 -4.2 8.3 -9.8 95 98 A G E -q 227 0J 3 -4,-0.3 2,-0.3 600,-0.2 133,-0.2 -0.978 59.3-111.2-174.1-177.4 -3.0 5.0 -11.2 96 99 A E E -q 228 0J 31 131,-2.1 133,-2.7 -2,-0.3 2,-0.7 -0.985 18.9-130.0-136.0 145.8 -1.4 1.6 -10.9 97 100 A L E > -q 229 0J 9 -2,-0.3 3,-0.9 131,-0.2 133,-0.2 -0.874 33.6-128.5 -94.1 117.6 1.9 0.1 -12.0 98 101 A N T 3 S+ 0 0 76 131,-3.2 133,-0.1 -2,-0.7 130,-0.0 -0.407 84.0 1.1 -67.8 137.7 1.2 -3.3 -13.7 99 102 A N T 3> S+ 0 0 60 -2,-0.1 4,-1.5 1,-0.1 3,-0.3 0.849 78.3 158.6 56.5 40.2 3.2 -6.3 -12.5 100 103 A N H <> + 0 0 36 -3,-0.9 4,-2.6 1,-0.2 5,-0.2 0.748 62.7 66.3 -68.6 -25.5 5.0 -4.2 -9.9 101 104 A G H > S+ 0 0 0 2,-0.2 4,-1.7 1,-0.2 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