==== 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 4KPS . 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) . 58492.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 945 64.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 81 5.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 295 20.1 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 . 139 9.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 80 5.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 270 18.4 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 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 . 9 12 6 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 . 14 12 24 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 . 9 12 3 3 0 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 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 0 176 0, 0.0 2,-0.1 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 178.0 60.9 -40.6 50.2 2 5 A Q - 0 0 72 1,-0.1 2,-0.3 350,-0.0 463,-0.1 -0.266 360.0 -82.5 -95.7 178.4 62.0 -41.2 46.6 3 6 A D - 0 0 5 463,-0.5 461,-2.1 461,-0.2 2,-0.3 -0.645 52.9-172.9 -78.0 141.7 62.3 -39.2 43.4 4 7 A R E -AB 351 463A 52 347,-1.9 347,-2.6 -2,-0.3 2,-0.4 -0.995 19.7-162.7-144.3 144.3 59.0 -39.0 41.6 5 8 A I E -AB 350 462A 1 457,-1.6 457,-1.8 -2,-0.3 2,-0.3 -0.990 14.5-163.9-128.2 136.3 57.6 -37.8 38.2 6 9 A a E -AB 349 461A 5 343,-2.5 343,-2.3 -2,-0.4 2,-0.4 -0.902 14.3-140.8-123.8 148.0 53.9 -37.2 37.5 7 10 A V E +A 348 0A 3 453,-2.5 2,-0.3 -2,-0.3 341,-0.2 -0.859 37.4 149.5-101.3 140.3 51.8 -36.7 34.4 8 11 A G E -A 347 0A 0 339,-2.2 339,-2.1 -2,-0.4 2,-0.3 -0.889 29.9-129.9-156.0-174.8 49.0 -34.1 34.6 9 12 A Y E -A 346 0A 0 327,-0.4 329,-2.5 -2,-0.3 337,-0.2 -0.892 37.0 -67.7-146.2 171.6 46.8 -31.6 32.7 10 13 A L B +e 338 0B 25 335,-2.1 311,-0.4 -2,-0.3 2,-0.3 -0.255 37.2 177.9 -71.5 143.6 45.6 -28.0 32.7 11 14 A S + 0 0 6 327,-1.2 329,-0.4 326,-0.2 330,-0.4 -0.978 12.0 170.3-135.5 148.9 43.2 -26.5 35.3 12 15 A T - 0 0 50 -2,-0.3 2,-0.9 327,-0.1 325,-0.1 -0.822 43.5 -88.0-144.5-177.8 42.1 -22.8 35.3 13 16 A N + 0 0 165 -2,-0.2 2,-0.4 16,-0.1 -2,-0.0 -0.820 69.6 135.2 -99.0 91.3 39.8 -20.2 36.8 14 17 A S - 0 0 51 -2,-0.9 -2,-0.1 1,-0.1 16,-0.0 -0.999 49.1-170.4-142.3 141.6 36.8 -20.4 34.5 15 18 A S + 0 0 112 -2,-0.4 2,-0.1 12,-0.1 -1,-0.1 0.260 56.0 134.8-100.0 5.8 33.0 -20.5 34.7 16 19 A E + 0 0 71 12,-0.2 12,-2.0 13,-0.1 2,-0.3 -0.302 32.4 177.9 -58.8 127.1 33.3 -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 -0.975 16.4-171.2-139.9 147.0 31.0 -24.2 30.1 18 21 A V E -F 26 0C 2 8,-2.3 8,-3.3 -2,-0.3 2,-0.4 -0.914 22.1-125.1-131.5 157.1 29.9 -26.2 27.1 19 22 A D - 0 0 78 294,-0.3 2,-0.3 -2,-0.3 5,-0.2 -0.838 24.5-167.3 -99.4 142.2 27.2 -28.8 26.4 20 23 A T - 0 0 6 3,-3.4 3,-0.3 -2,-0.4 406,-0.2 -0.765 39.1-101.1-117.4 172.6 28.2 -32.1 24.9 21 24 A L S S+ 0 0 0 404,-1.6 848,-0.3 -2,-0.3 849,-0.1 0.840 124.2 34.7 -61.0 -30.7 25.9 -34.8 23.4 22 25 A L S S+ 0 0 17 403,-0.2 2,-0.3 1,-0.2 843,-0.3 0.557 123.5 33.7-101.2 -10.7 26.2 -36.8 26.7 23 26 A E - 0 0 67 -3,-0.3 -3,-3.4 842,-0.1 2,-0.3 -0.998 63.0-138.4-151.9 141.6 26.4 -34.0 29.2 24 27 A N S S+ 0 0 97 -2,-0.3 -5,-0.2 -5,-0.2 -6,-0.0 -0.765 81.1 8.6 -99.6 147.5 25.1 -30.5 30.0 25 28 A G S S+ 0 0 23 -2,-0.3 -6,-0.2 1,-0.2 -1,-0.2 0.914 74.0 179.4 55.4 56.6 27.2 -27.7 31.4 26 29 A V E -F 18 0C 0 -8,-3.3 -8,-2.3 -3,-0.3 -1,-0.2 -0.786 27.9-124.0 -90.6 123.4 30.6 -29.2 31.3 27 30 A P E -F 17 0C 35 0, 0.0 293,-2.6 0, 0.0 2,-0.3 -0.449 35.2-179.0 -65.7 132.4 33.4 -26.9 32.5 28 31 A V B -G 319 0D 0 -12,-2.0 291,-0.2 291,-0.3 -12,-0.2 -0.950 37.1-128.2-133.2 156.5 36.2 -26.4 30.0 29 32 A T S S- 0 0 14 289,-2.0 2,-0.3 -2,-0.3 290,-0.1 0.760 90.8 -0.5 -73.4 -25.8 39.5 -24.5 30.0 30 33 A S + 0 0 36 288,-0.2 286,-2.4 -14,-0.1 287,-1.9 -0.989 62.5 166.1-161.7 155.7 38.6 -22.7 26.7 31 34 A S E -H 315 0E 20 -2,-0.3 2,-0.3 284,-0.3 284,-0.2 -0.977 19.2-135.5-160.3 168.1 36.0 -22.3 24.0 32 35 A I E -H 314 0E 62 282,-2.2 282,-2.6 -2,-0.3 2,-0.4 -0.906 22.2-113.4-130.8 163.0 34.8 -20.2 21.1 33 36 A D E -H 313 0E 56 -2,-0.3 280,-0.2 280,-0.2 278,-0.0 -0.803 18.4-173.4 -97.5 134.3 31.5 -18.8 19.8 34 37 A L + 0 0 8 278,-2.0 258,-0.9 -2,-0.4 2,-0.4 0.731 66.3 70.7 -94.6 -26.7 30.0 -20.1 16.5 35 38 A I E S-i 292 0F 0 277,-0.3 2,-0.4 256,-0.1 258,-0.3 -0.793 74.2-136.4-100.9 132.6 27.1 -17.7 16.2 36 39 A E E +i 293 0F 18 256,-2.4 258,-1.4 -2,-0.4 259,-0.3 -0.722 28.0 167.1 -84.9 130.2 27.4 -14.0 15.5 37 40 A T + 0 0 60 -2,-0.4 2,-0.4 256,-0.2 -1,-0.1 0.428 48.2 87.8-121.6 -5.2 25.2 -11.8 17.6 38 41 A N + 0 0 120 249,-0.0 249,-0.3 2,-0.0 2,-0.3 -0.845 45.9 163.7-107.8 134.9 26.6 -8.3 17.0 39 42 A H - 0 0 79 -2,-0.4 247,-0.2 247,-0.1 241,-0.1 -0.889 46.9-111.4-139.1 169.2 25.6 -5.9 14.2 40 43 A T - 0 0 61 245,-2.4 244,-0.1 -2,-0.3 3,-0.1 0.764 38.7-138.1 -74.2 -26.9 26.0 -2.3 13.3 41 44 A G S S+ 0 0 29 1,-0.3 230,-0.5 244,-0.3 2,-0.3 0.667 72.6 84.7 74.9 17.3 22.3 -1.5 13.7 42 45 A T S S- 0 0 25 228,-0.1 2,-0.5 243,-0.1 243,-0.5 -0.897 89.0 -92.3-141.3 167.0 22.4 0.6 10.6 43 46 A Y E -k 272 0G 1 228,-3.0 230,-1.5 -2,-0.3 2,-0.2 -0.759 51.6-178.9 -82.0 128.3 22.2 0.4 6.8 44 47 A b E - 0 0 1 -2,-0.5 232,-0.2 228,-0.2 2,-0.2 -0.731 35.8 -86.1-121.3 169.3 25.7 0.1 5.4 45 48 A S E -k 276 0G 28 230,-2.0 232,-2.3 -2,-0.2 2,-0.7 -0.513 46.0-129.2 -67.3 147.0 27.4 -0.2 2.0 46 49 A L E > S-kL 277 49G 13 3,-3.0 3,-1.7 1,-0.2 232,-0.2 -0.887 73.1 -31.3-109.8 107.3 27.4 -3.8 0.9 47 50 A N T 3 S- 0 0 92 230,-2.8 -1,-0.2 -2,-0.7 231,-0.1 0.905 128.2 -42.6 52.1 46.3 30.8 -5.1 -0.2 48 51 A G T 3 S+ 0 0 59 229,-0.2 2,-0.6 1,-0.2 -1,-0.3 0.196 118.5 108.9 92.0 -15.3 31.8 -1.7 -1.5 49 52 A V B < -L 46 0G 41 -3,-1.7 -3,-3.0 -5,-0.0 -1,-0.2 -0.853 61.7-138.6-104.7 120.7 28.5 -0.8 -3.1 50 53 A S - 0 0 55 -2,-0.6 29,-0.9 -5,-0.3 30,-0.1 -0.397 16.4-130.0 -72.0 146.3 26.2 1.8 -1.6 51 54 A P - 0 0 8 0, 0.0 2,-0.4 0, 0.0 30,-0.2 -0.017 21.5-114.5 -76.2-167.7 22.4 1.2 -1.4 52 55 A V E -m 81 0H 17 28,-1.4 30,-2.2 23,-0.0 2,-0.3 -0.949 16.8-148.6-138.2 116.3 19.8 3.7 -2.5 53 56 A H E -m 82 0H 94 -2,-0.4 30,-0.2 28,-0.2 3,-0.1 -0.642 2.7-154.8 -81.5 139.0 17.4 5.4 -0.2 54 57 A L > - 0 0 2 28,-2.3 3,-2.3 -2,-0.3 2,-0.2 0.364 23.2-160.1 -96.6 4.7 14.1 6.3 -1.7 55 58 A G T 3 - 0 0 27 1,-0.3 29,-0.3 27,-0.2 -1,-0.3 -0.327 67.6 -14.6 58.4-118.4 13.4 9.1 0.7 56 59 A D T 3 S+ 0 0 103 -2,-0.2 33,-2.4 12,-0.1 2,-0.3 0.347 118.2 93.7 -99.6 4.3 9.7 10.0 0.8 57 60 A c B < -o 89 0I 3 -3,-2.3 27,-0.4 31,-0.2 33,-0.2 -0.727 69.6-129.8-102.4 146.8 8.8 8.1 -2.3 58 61 A S > - 0 0 21 31,-2.7 4,-1.8 -2,-0.3 5,-0.1 -0.398 37.3-103.1 -77.3 167.4 7.6 4.5 -2.8 59 62 A F H > S+ 0 0 0 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.885 121.3 56.3 -61.1 -39.4 9.4 2.3 -5.4 60 63 A E H > S+ 0 0 19 1,-0.2 4,-1.7 2,-0.2 5,-0.2 0.953 109.2 44.0 -55.9 -54.8 6.6 2.8 -7.9 61 64 A G H >>S+ 0 0 0 28,-0.2 5,-3.1 1,-0.2 4,-0.9 0.817 114.1 52.6 -61.5 -32.1 6.9 6.6 -7.8 62 65 A W H <5S+ 0 0 8 -4,-1.8 -1,-0.2 3,-0.2 -2,-0.2 0.920 108.6 48.2 -68.7 -44.6 10.6 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 0.795 114.6 43.4 -74.1 -29.9 10.7 4.1 -11.0 64 67 A V H <5S- 0 0 0 -4,-1.7 83,-2.0 -5,-0.2 84,-0.3 0.666 118.2-108.6 -88.0 -18.8 8.3 6.2 -13.2 65 68 A G T <5 - 0 0 3 -4,-0.9 81,-2.4 -5,-0.2 -3,-0.2 0.889 32.8-159.7 94.2 46.6 9.9 9.5 -12.1 66 69 A N > < - 0 0 2 -5,-3.1 3,-2.7 79,-0.2 -1,-0.1 -0.430 20.9-132.9 -54.9 119.5 7.4 11.2 -9.8 67 70 A P T 3 S+ 0 0 8 0, 0.0 71,-0.5 0, 0.0 -1,-0.2 0.685 104.7 60.8 -54.2 -21.2 8.6 14.9 -10.0 68 71 A A T 3 S+ 0 0 44 22,-0.2 2,-0.1 69,-0.2 -12,-0.1 0.682 94.0 79.4 -80.8 -19.9 8.4 15.0 -6.2 69 72 A c S < S- 0 0 5 -3,-2.7 2,-0.3 -8,-0.2 69,-0.1 -0.461 95.8 -98.2 -80.8 158.3 11.0 12.3 -5.9 70 73 A T - 0 0 101 -16,-0.2 -1,-0.1 -2,-0.1 -4,-0.1 -0.604 52.1-102.7 -72.6 138.6 14.8 12.8 -6.2 71 74 A S - 0 0 43 -2,-0.3 3,-0.3 1,-0.1 -1,-0.1 -0.223 14.5-148.3 -66.1 150.8 15.8 11.8 -9.8 72 75 A N + 0 0 5 -10,-0.2 3,-0.5 1,-0.2 43,-0.3 -0.010 68.2 112.5-103.2 26.4 17.5 8.5 -10.5 73 76 A F S S+ 0 0 139 1,-0.2 42,-0.4 41,-0.1 -1,-0.2 0.854 78.2 41.1 -66.5 -37.0 19.4 10.1 -13.3 74 77 A G S S+ 0 0 59 -3,-0.3 -1,-0.2 40,-0.1 2,-0.2 0.431 85.7 115.6 -96.5 -0.2 22.9 9.9 -11.7 75 78 A I + 0 0 47 -3,-0.5 40,-0.3 1,-0.1 3,-0.1 -0.469 31.6 173.4 -73.8 141.1 22.6 6.4 -10.2 76 79 A R - 0 0 165 1,-0.5 37,-2.8 -2,-0.2 2,-0.3 0.582 62.9 -14.3-117.1 -19.7 25.0 3.8 -11.5 77 80 A E - 0 0 91 35,-0.2 -1,-0.5 -26,-0.1 2,-0.3 -0.940 51.6-160.8 180.0 148.2 24.5 0.8 -9.2 78 81 A W B -P 110 0J 4 32,-2.4 32,-1.5 -2,-0.3 3,-0.1 -0.988 16.2-156.8-149.3 148.0 22.9 -0.3 -6.0 79 82 A S S S- 0 0 16 -29,-0.9 2,-0.3 1,-0.3 185,-0.1 0.812 82.4 -16.8 -87.8 -37.1 23.3 -3.2 -3.7 80 83 A Y - 0 0 0 183,-0.2 -28,-1.4 -30,-0.1 2,-0.4 -0.962 66.9-110.4-157.4 174.3 19.8 -2.9 -2.1 81 84 A L E -mn 52 265H 0 183,-2.9 185,-2.0 -2,-0.3 2,-0.5 -0.892 12.8-151.4-115.6 143.9 17.0 -0.4 -1.7 82 85 A I E +mn 53 266H 4 -30,-2.2 -28,-2.3 -2,-0.4 2,-0.4 -0.960 24.4 174.8-112.6 118.4 15.7 1.4 1.3 83 86 A E - 0 0 7 183,-2.8 -25,-0.1 -2,-0.5 -27,-0.1 -0.965 29.9-131.7-127.2 139.1 12.0 2.2 1.2 84 87 A D > - 0 0 66 -27,-0.4 3,-1.3 -2,-0.4 184,-0.1 -0.760 14.3-145.8 -86.8 129.7 9.6 3.7 3.8 85 88 A P T 3 S+ 0 0 82 0, 0.0 -1,-0.1 0, 0.0 183,-0.0 0.782 100.7 43.2 -61.1 -32.2 6.5 1.6 4.1 86 89 A A T 3 S+ 0 0 79 -29,-0.0 -28,-0.1 -3,-0.0 -2,-0.0 -0.067 81.5 161.6-105.0 31.3 4.4 4.7 4.7 87 90 A A < - 0 0 22 -3,-1.3 -29,-0.1 1,-0.1 -30,-0.1 -0.314 34.7-147.1 -56.1 128.0 6.0 6.8 2.0 88 91 A P S S+ 0 0 101 0, 0.0 2,-0.3 0, 0.0 -31,-0.2 0.813 77.2 66.1 -63.5 -36.3 3.7 9.8 1.1 89 92 A H B +o 57 0I 72 -33,-2.4 -31,-2.7 -21,-0.1 -28,-0.2 -0.736 54.6 117.1 -99.6 141.2 4.8 9.9 -2.6 90 93 A G S S- 0 0 15 -2,-0.3 2,-1.3 -33,-0.2 -22,-0.2 -0.465 80.7 -1.0-155.7-127.9 4.1 7.2 -5.2 91 94 A L - 0 0 25 1,-0.2 4,-0.3 -2,-0.2 -30,-0.1 -0.699 67.1-162.8 -76.2 99.1 2.1 7.4 -8.4 92 95 A d S S+ 0 0 12 -2,-1.3 -1,-0.2 2,-0.1 128,-0.1 0.847 73.8 62.0 -56.2 -39.0 1.0 11.1 -8.0 93 96 A Y S S- 0 0 6 -3,-0.1 134,-0.1 1,-0.1 128,-0.1 -0.771 110.8 -92.3 -89.7 134.0 -1.7 10.7 -10.5 94 97 A P S S+ 0 0 0 0, 0.0 133,-1.5 0, 0.0 2,-0.3 -0.206 82.9 103.3 -47.4 110.6 -4.4 8.1 -9.6 95 98 A G E -q 227 0J 4 -4,-0.3 2,-0.4 131,-0.2 133,-0.2 -0.967 59.3-111.8-171.3-176.7 -3.2 4.9 -11.2 96 99 A E E -q 228 0J 32 131,-2.4 133,-2.5 -2,-0.3 2,-0.6 -0.996 17.6-131.9-137.2 141.9 -1.6 1.5 -10.9 97 100 A L E > -q 229 0J 10 -2,-0.4 3,-0.9 131,-0.2 133,-0.2 -0.851 33.9-126.8 -90.9 119.1 1.7 0.1 -12.0 98 101 A N T 3 S- 0 0 73 131,-3.2 133,-0.1 -2,-0.6 130,-0.0 -0.438 83.5 -1.7 -69.1 134.2 1.1 -3.3 -13.7 99 102 A N T 3> S+ 0 0 62 -2,-0.2 4,-1.4 1,-0.1 -1,-0.2 0.878 77.3 160.2 57.2 43.1 3.0 -6.3 -12.5 100 103 A N H <> + 0 0 32 -3,-0.9 4,-2.9 1,-0.2 5,-0.2 0.719 63.0 67.7 -70.8 -22.0 4.9 -4.2 -9.9 101 104 A G H > S+ 0 0 0 2,-0.2 4,-2.0 1,-0.2 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