==== 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 17-AUG-01 1JSM . COMPND 2 MOLECULE: HAEMAGGLUTININ (HA1 CHAIN); . SOURCE 2 ORGANISM_SCIENTIFIC: INFLUENZA A VIRUS; . AUTHOR Y.HA,D.J.STEVENS,J.J.SKEHEL,D.C.WILEY . 481 2 6 5 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 23170.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 310 64.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 28 5.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 94 19.5 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 . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 10 2.1 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 . 44 9.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 32 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 91 18.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.0 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 1 0 3 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 1 RESIDUES PER ALPHA HELIX . 3 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 0 PARALLEL BRIDGES PER LADDER . 5 4 6 2 1 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 4 1 1 0 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 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 63 0, 0.0 461,-2.5 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 127.6 83.1 -28.8 161.6 2 2 A Q E -AB 349 461A 51 347,-2.3 347,-1.9 459,-0.2 2,-0.4 -0.912 360.0-165.8-131.4 154.9 81.6 -29.3 158.1 3 3 A I E -AB 348 460A 0 457,-2.3 457,-2.6 -2,-0.3 2,-0.4 -0.999 22.4-170.3-132.5 123.3 81.8 -31.4 154.9 4 4 A a E -AB 347 459A 9 343,-1.5 343,-1.7 -2,-0.4 2,-0.4 -0.938 17.2-139.2-120.5 144.1 80.1 -30.0 151.8 5 5 A I E +A 346 0A 3 453,-2.9 2,-0.3 -2,-0.4 341,-0.2 -0.819 38.7 153.9 -97.4 137.0 79.3 -31.6 148.5 6 6 A G E -A 345 0A 0 339,-3.1 339,-3.0 -2,-0.4 2,-0.3 -0.910 32.8-120.6-153.0-178.6 79.9 -29.3 145.5 7 7 A Y E -A 344 0A 0 327,-0.4 329,-3.0 -2,-0.3 337,-0.3 -0.943 34.7 -88.5-135.7 154.6 80.6 -28.9 141.8 8 8 A H B +e 336 0B 19 335,-3.2 312,-0.4 -2,-0.3 2,-0.3 -0.041 36.7 179.3 -58.6 153.5 83.2 -27.2 139.6 9 9 A A + 0 0 1 327,-1.0 2,-0.2 330,-0.4 330,-0.1 -0.976 5.5 163.7-153.1 149.8 83.1 -23.7 138.3 10 10 A N - 0 0 31 -2,-0.3 327,-0.1 2,-0.1 325,-0.1 -0.843 52.6 -85.9-152.4-169.6 85.5 -21.6 136.1 11 11 A N + 0 0 149 -2,-0.2 16,-0.0 326,-0.1 308,-0.0 0.241 69.5 146.7 -93.7 15.6 85.8 -18.5 134.0 12 12 A S - 0 0 25 1,-0.1 -2,-0.1 15,-0.1 16,-0.1 -0.155 29.7-176.0 -53.0 142.1 84.5 -20.3 130.9 13 13 A T + 0 0 117 14,-0.1 -1,-0.1 12,-0.1 14,-0.1 0.371 41.0 127.9-118.5 -6.0 82.5 -18.1 128.6 14 14 A E - 0 0 80 12,-0.3 12,-2.3 13,-0.1 2,-0.4 -0.207 42.2-158.4 -55.9 138.7 81.6 -21.0 126.3 15 15 A Q E -F 25 0C 63 10,-0.2 2,-0.3 12,-0.0 10,-0.2 -0.960 15.0-178.4-130.9 145.4 77.8 -21.4 125.5 16 16 A V E -F 24 0C 3 8,-2.0 8,-3.0 -2,-0.4 2,-0.3 -0.839 20.7-126.5-130.5 164.2 75.5 -24.1 124.3 17 17 A D - 0 0 51 295,-0.4 2,-0.3 -2,-0.3 5,-0.2 -0.851 19.9-176.7-115.2 155.4 71.8 -24.3 123.5 18 18 A T - 0 0 8 3,-1.9 406,-0.1 -2,-0.3 405,-0.1 -0.814 43.1 -98.8-136.1 172.8 69.1 -26.7 124.7 19 19 A I S S+ 0 0 94 404,-0.4 3,-0.1 -2,-0.3 405,-0.1 0.910 122.5 34.3 -62.5 -46.4 65.4 -27.1 123.8 20 20 A M S S+ 0 0 170 1,-0.2 2,-0.3 -3,-0.0 -1,-0.2 0.613 127.7 26.4 -87.0 -14.6 64.2 -25.1 126.9 21 21 A E - 0 0 82 3,-0.0 -3,-1.9 0, 0.0 3,-0.3 -0.950 63.2-150.2-157.1 133.4 67.1 -22.6 127.1 22 22 A K S S+ 0 0 159 -2,-0.3 -5,-0.2 -5,-0.2 -3,-0.0 -0.639 74.3 20.3-101.1 157.1 69.6 -21.0 124.8 23 23 A N + 0 0 89 -2,-0.2 2,-0.6 1,-0.2 -6,-0.2 0.910 68.8 176.7 55.7 52.4 73.1 -19.7 125.6 24 24 A V E -F 16 0C 2 -8,-3.0 -8,-2.0 -3,-0.3 2,-0.3 -0.776 28.0-132.1 -87.0 120.8 73.7 -21.7 128.7 25 25 A T E -F 15 0C 47 -2,-0.6 294,-2.6 -10,-0.2 2,-0.3 -0.580 30.5-170.8 -73.0 133.6 77.3 -21.0 129.8 26 26 A V B -G 318 0D 0 -12,-2.3 -12,-0.3 -2,-0.3 292,-0.2 -0.925 34.2-124.5-129.7 155.7 79.1 -24.2 130.6 27 27 A T S S+ 0 0 4 290,-2.6 2,-0.3 -2,-0.3 291,-0.1 0.767 97.8 13.4 -66.2 -29.3 82.4 -25.1 132.2 28 28 A H + 0 0 71 289,-0.3 288,-2.3 -16,-0.1 287,-2.1 -0.993 67.8 167.6-150.2 144.6 83.5 -27.1 129.2 29 29 A A E -H 314 0E 18 -2,-0.3 2,-0.4 285,-0.3 285,-0.2 -0.955 24.1-137.0-150.4 164.2 82.2 -27.5 125.6 30 30 A Q E -H 313 0E 79 283,-3.1 283,-2.7 -2,-0.3 2,-0.3 -0.962 11.3-147.0-134.5 116.4 83.3 -29.0 122.3 31 31 A D E +H 312 0E 52 -2,-0.4 281,-0.2 281,-0.2 3,-0.0 -0.616 17.8 178.1 -74.7 134.2 82.9 -27.2 119.0 32 32 A I + 0 0 0 279,-2.4 259,-1.7 -2,-0.3 2,-0.5 0.262 48.9 94.9-124.7 15.1 82.3 -29.8 116.3 33 33 A L E -i 291 0F 0 278,-0.5 2,-0.5 257,-0.1 259,-0.2 -0.924 60.5-150.5-114.7 113.2 81.8 -27.5 113.3 34 34 A E E +i 292 0F 27 257,-2.9 259,-1.4 -2,-0.5 260,-0.2 -0.653 20.9 170.4 -77.5 125.5 84.7 -26.7 110.9 35 35 A K + 0 0 88 -2,-0.5 2,-0.3 257,-0.2 -1,-0.1 0.347 47.6 77.9-120.4 8.0 84.1 -23.2 109.5 36 36 A T + 0 0 95 250,-0.0 2,-0.3 2,-0.0 250,-0.2 -0.843 43.7 173.8-122.2 159.0 87.3 -22.4 107.7 37 37 A H - 0 0 66 -2,-0.3 248,-0.2 248,-0.1 246,-0.0 -0.926 39.8-113.2-148.0 166.6 89.1 -23.4 104.5 38 38 A N - 0 0 72 246,-2.1 245,-0.1 -2,-0.3 247,-0.1 0.297 41.4-123.8 -92.1 10.6 92.3 -22.2 102.8 39 39 A G S S+ 0 0 34 245,-0.3 2,-0.3 1,-0.2 244,-0.2 0.630 74.5 105.0 59.5 17.1 90.7 -20.5 99.7 40 40 A K S S- 0 0 98 244,-0.1 2,-0.6 229,-0.1 244,-0.4 -0.874 71.6-125.3-130.0 161.5 92.7 -22.6 97.3 41 41 A L E -k 271 0G 0 229,-0.7 231,-2.9 -2,-0.3 233,-0.3 -0.925 44.1-178.1-102.5 119.3 92.4 -25.5 94.9 42 42 A b E - 0 0 0 -2,-0.6 233,-0.3 229,-0.2 2,-0.2 -0.538 33.8 -85.8-113.4 175.0 95.0 -28.1 95.9 43 43 A D E -k 275 0G 25 231,-2.6 233,-2.5 -2,-0.2 2,-0.7 -0.516 43.2-127.3 -72.7 151.4 96.4 -31.5 94.9 44 44 A L E > S-kL 276 47G 19 3,-2.9 3,-1.7 1,-0.2 233,-0.2 -0.924 83.3 -24.6-107.6 110.8 94.3 -34.3 96.4 45 45 A N T 3 S- 0 0 117 231,-2.4 -1,-0.2 -2,-0.7 232,-0.1 0.904 130.4 -45.5 51.4 48.4 96.7 -36.6 98.2 46 46 A G T 3 S+ 0 0 49 230,-0.2 2,-0.6 1,-0.2 -1,-0.3 0.357 115.6 113.5 82.1 -5.3 99.6 -35.5 96.0 47 47 A V B < -L 44 0G 47 -3,-1.7 -3,-2.9 29,-0.0 -1,-0.2 -0.883 61.3-135.5-106.1 120.6 97.7 -35.7 92.7 48 48 A K - 0 0 95 -2,-0.6 29,-1.1 -5,-0.3 -5,-0.1 -0.343 18.2-119.1 -73.8 147.7 97.1 -32.5 90.9 49 49 A P - 0 0 2 0, 0.0 2,-0.8 0, 0.0 30,-0.2 -0.404 23.5-110.0 -80.8 165.5 93.7 -31.6 89.4 50 50 A L E -m 79 0H 12 28,-2.6 30,-2.9 -2,-0.1 2,-0.7 -0.883 35.4-164.9 -91.4 109.7 93.0 -30.8 85.7 51 51 A I E -m 80 0H 16 -2,-0.8 30,-0.2 28,-0.2 220,-0.1 -0.901 6.6-167.4-100.9 107.4 92.3 -27.0 85.8 52 52 A L > - 0 0 0 28,-2.6 3,-2.8 -2,-0.7 29,-0.1 0.529 14.4-175.0 -74.7 -6.7 90.7 -26.2 82.5 53 53 A R T 3 S- 0 0 131 1,-0.3 29,-0.5 27,-0.3 -1,-0.2 -0.243 71.8 -7.4 52.0-116.0 91.1 -22.4 82.9 54 54 A D T 3 S+ 0 0 69 31,-0.1 33,-2.6 12,-0.1 2,-0.3 0.305 118.1 92.9 -94.2 10.7 89.4 -20.7 80.0 55 55 A c B < -o 87 0I 5 -3,-2.8 27,-0.3 31,-0.2 33,-0.2 -0.821 65.5-140.9-104.0 143.5 88.6 -23.9 78.1 56 56 A S > - 0 0 13 31,-2.3 4,-2.2 -2,-0.3 5,-0.2 -0.449 34.8-101.0 -91.3 170.5 85.5 -26.0 78.3 57 57 A V H > S+ 0 0 0 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.916 126.3 50.3 -56.3 -41.3 85.5 -29.8 78.3 58 58 A A H > S+ 0 0 5 1,-0.2 4,-2.6 2,-0.2 5,-0.4 0.907 107.2 51.7 -64.0 -44.0 84.5 -29.6 74.6 59 59 A G H >>S+ 0 0 0 28,-0.3 5,-2.5 2,-0.2 4,-0.9 0.876 115.1 45.1 -60.8 -36.1 87.2 -27.2 73.7 60 60 A W H <5S+ 0 0 4 -4,-2.2 -2,-0.2 3,-0.2 3,-0.2 0.983 115.6 42.4 -70.3 -59.1 89.7 -29.5 75.4 61 61 A L H <5S+ 0 0 0 -4,-3.0 -2,-0.2 1,-0.2 -3,-0.2 0.877 120.1 41.8 -59.0 -44.0 88.5 -32.9 73.9 62 62 A L H <5S- 0 0 0 -4,-2.6 84,-2.3 -5,-0.2 85,-0.4 0.721 113.7-116.9 -76.8 -21.0 88.0 -31.6 70.3 63 63 A G T <5 - 0 0 2 -4,-0.9 82,-3.1 -5,-0.4 -3,-0.2 0.914 29.9-162.3 88.5 42.1 91.2 -29.6 70.4 64 64 A N > < - 0 0 3 -5,-2.5 3,-2.8 80,-0.3 -1,-0.1 -0.404 27.6-123.9 -52.0 129.0 90.1 -25.9 70.1 65 65 A P G > S+ 0 0 2 0, 0.0 3,-0.8 0, 0.0 -1,-0.1 0.709 111.1 62.4 -54.3 -23.8 93.5 -24.1 69.0 66 66 A M G 3 S+ 0 0 108 1,-0.2 3,-0.2 22,-0.1 -12,-0.1 0.496 98.3 61.6 -78.1 -3.7 93.1 -21.8 72.0 67 67 A c G X + 0 0 4 -3,-2.8 3,-2.2 -8,-0.2 -1,-0.2 -0.013 56.7 126.8-113.6 29.3 93.4 -24.9 74.3 68 68 A D G X + 0 0 47 -3,-0.8 3,-1.7 1,-0.3 4,-0.2 0.730 61.3 76.9 -60.4 -21.3 96.8 -26.2 73.4 69 69 A E G 3 S+ 0 0 123 1,-0.3 3,-0.3 -3,-0.2 -1,-0.3 0.812 100.0 44.5 -57.2 -25.8 97.7 -26.2 77.1 70 70 A F G X S+ 0 0 9 -3,-2.2 3,-0.7 1,-0.2 -1,-0.3 0.096 72.8 116.1-108.9 23.7 95.5 -29.4 77.3 71 71 A L T < S+ 0 0 49 -3,-1.7 -1,-0.2 1,-0.3 -2,-0.1 0.832 96.2 10.8 -60.8 -33.8 96.7 -31.3 74.2 72 72 A N T 3 S- 0 0 124 -3,-0.3 -1,-0.3 -4,-0.2 40,-0.1 -0.527 82.6-174.6-144.9 70.5 98.1 -34.2 76.3 73 73 A V < - 0 0 15 -3,-0.7 40,-0.2 38,-0.1 38,-0.2 -0.370 17.7-131.4 -72.9 147.8 97.0 -33.8 79.9 74 74 A P - 0 0 99 0, 0.0 37,-0.1 0, 0.0 -1,-0.1 -0.333 46.6 -55.5 -86.4 176.5 98.4 -36.2 82.6 75 75 A E - 0 0 108 35,-0.1 2,-0.3 -2,-0.1 35,-0.2 -0.160 62.0-162.2 -50.8 139.9 96.4 -38.2 85.2 76 76 A W - 0 0 3 33,-2.6 3,-0.1 1,-0.1 -28,-0.1 -0.842 27.8-147.8-127.9 167.2 94.3 -35.9 87.4 77 77 A S S S- 0 0 9 -29,-1.1 2,-0.3 1,-0.5 -1,-0.1 0.862 85.1 -10.4 -95.6 -54.2 92.5 -36.1 90.8 78 78 A Y - 0 0 0 184,-0.2 -28,-2.6 -31,-0.1 -1,-0.5 -0.885 69.2-121.9-140.1 167.8 89.5 -33.9 90.0 79 79 A I E -mn 50 264H 0 184,-2.9 186,-3.3 -2,-0.3 2,-0.5 -0.946 17.0-159.9-119.3 137.7 88.6 -31.5 87.2 80 80 A V E +mn 51 265H 2 -30,-2.9 -28,-2.6 -2,-0.4 2,-0.3 -0.963 13.5 173.2-120.3 127.3 87.9 -27.8 87.5 81 81 A E E - n 0 266H 3 184,-2.6 186,-2.0 -2,-0.5 2,-0.1 -0.952 29.9-118.3-129.3 148.5 86.0 -25.9 84.9 82 82 A K - 0 0 62 -29,-0.5 186,-0.1 -2,-0.3 -28,-0.0 -0.406 30.5-108.7 -79.1 167.4 84.7 -22.3 85.0 83 83 A D S S+ 0 0 106 1,-0.3 -1,-0.1 -2,-0.1 185,-0.0 0.912 110.8 12.8 -63.0 -44.2 81.0 -21.5 84.8 84 84 A N S S- 0 0 145 -28,-0.0 -1,-0.3 -29,-0.0 -28,-0.1 -0.603 78.3-165.6-136.3 76.0 81.3 -20.0 81.4 85 85 A P - 0 0 28 0, 0.0 -31,-0.1 0, 0.0 -30,-0.1 -0.354 15.0-144.3 -60.1 134.4 84.6 -20.9 79.7 86 86 A V S S+ 0 0 111 1,-0.2 2,-1.0 2,-0.1 -31,-0.2 0.861 83.2 65.9 -74.0 -30.7 85.1 -18.7 76.7 87 87 A N B +o 55 0I 33 -33,-2.6 -31,-2.3 1,-0.1 -28,-0.3 -0.735 66.7 104.2 -98.6 100.4 86.9 -21.3 74.6 88 88 A G S S+ 0 0 10 -2,-1.0 2,-1.4 -33,-0.2 3,-0.2 0.220 83.2 11.6-130.8-102.4 84.7 -24.2 73.7 89 89 A L + 0 0 43 1,-0.2 4,-0.2 4,-0.1 -30,-0.1 -0.678 62.8 177.7 -86.7 89.4 83.1 -24.6 70.2 90 90 A d S S+ 0 0 11 -2,-1.4 -1,-0.2 2,-0.1 129,-0.0 0.927 80.2 51.3 -60.2 -47.7 85.1 -22.0 68.2 91 91 A Y S S- 0 0 1 -3,-0.2 135,-0.2 44,-0.1 129,-0.1 -0.851 113.2-114.0 -84.7 122.8 83.3 -23.0 65.0 92 92 A P + 0 0 7 0, 0.0 134,-2.2 0, 0.0 2,-0.3 -0.135 63.2 90.6 -60.0 150.0 79.7 -22.8 66.3 93 93 A E E -p 226 0J 26 132,-0.3 2,-0.3 -4,-0.2 134,-0.2 -0.982 63.9 -54.8 167.3-152.4 77.4 -25.7 66.8 94 94 A N E -p 227 0J 100 132,-2.1 134,-3.1 -2,-0.3 2,-0.5 -0.901 22.4-151.7-127.4 150.1 76.2 -28.5 69.0 95 95 A F E > -p 228 0J 21 -2,-0.3 3,-1.1 132,-0.2 134,-0.2 -0.952 29.9-128.4-123.4 108.9 77.8 -31.4 70.9 96 96 A N T 3 S- 0 0 54 132,-2.8 5,-0.1 -2,-0.5 131,-0.0 -0.251 84.3 -4.8 -60.6 138.5 75.4 -34.4 71.3 97 97 A D T 3> S+ 0 0 106 1,-0.1 4,-1.6 3,-0.1 -1,-0.3 0.863 82.3 162.3 42.6 46.7 74.8 -35.8 74.7 98 98 A Y H <> + 0 0 37 -3,-1.1 4,-2.3 1,-0.2 5,-0.2 0.916 68.3 50.1 -60.3 -46.9 77.3 -33.3 76.1 99 99 A E H > S+ 0 0 40 1,-0.2 4,-2.0 2,-0.2 292,-0.3 0.819 108.2 53.8 -64.6 -30.6 76.2 -33.5 79.8 100 100 A E H > S+ 0 0 128 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