==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-DEC-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER VIRAL PROTEIN 01-FEB-12 4DJ6 . COMPND 2 MOLECULE: HEMAGGLUTININ; . SOURCE 2 ORGANISM_SCIENTIFIC: INFLUENZA A VIRUS . AUTHOR H.YANG,P.J.CARNEY,R.O.DONIS,J.STEVENS . 1459 6 18 15 3 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 58542.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 927 63.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 78 5.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 295 20.2 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 . 18 1.2 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 . 3 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 . 97 6.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 116 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 268 18.4 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 3 0 2 0 6 3 0 0 0 0 0 0 0 1 2 0 0 0 0 0 0 0 0 0 0 0 3 RESIDUES PER ALPHA HELIX . 6 9 6 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 . 21 15 11 10 6 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 . 9 9 3 6 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 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 0 129 0, 0.0 456,-2.3 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 -36.1 51.5 12.1 68.8 2 2 A K E -AB 344 456A 76 342,-1.8 342,-2.5 454,-0.3 2,-0.4 -1.000 360.0-150.8-158.8 151.6 50.3 12.2 65.2 3 3 A I E -AB 343 455A 3 452,-2.5 452,-2.8 -2,-0.3 2,-0.4 -0.998 18.9-166.7-128.3 138.6 49.6 10.4 61.9 4 4 A a E -AB 342 454A 15 338,-2.4 338,-3.1 -2,-0.4 2,-0.2 -0.977 6.7-156.3-129.9 124.7 49.8 12.1 58.5 5 5 A L E +A 341 0A 6 448,-0.8 2,-0.3 -2,-0.4 336,-0.2 -0.663 25.7 154.9 -93.8 154.7 48.5 11.0 55.1 6 6 A G E -A 340 0A 0 334,-1.8 334,-2.5 -2,-0.2 2,-0.2 -0.987 33.9-109.2-172.8 166.9 50.0 12.3 51.8 7 7 A H E -A 339 0A 0 322,-0.3 324,-2.1 -2,-0.3 332,-0.2 -0.527 36.0 -99.5-109.3 168.2 50.6 11.7 48.1 8 8 A H B -e 331 0B 24 330,-1.8 306,-0.4 322,-0.3 2,-0.3 -0.197 33.5-173.9 -85.9 174.7 53.8 11.0 46.1 9 9 A A - 0 0 6 322,-0.6 2,-0.3 321,-0.1 325,-0.2 -0.966 14.7-142.8-164.9 151.0 55.9 13.4 44.0 10 10 A V - 0 0 53 -2,-0.3 3,-0.3 1,-0.1 320,-0.1 -0.859 22.8-125.1-121.5 159.3 58.9 13.4 41.7 11 11 A S S S+ 0 0 97 -2,-0.3 2,-0.4 1,-0.3 -1,-0.1 0.870 100.9 26.0 -78.8 -37.3 61.7 16.0 41.4 12 12 A N S S+ 0 0 133 15,-0.1 -1,-0.3 -3,-0.0 2,-0.1 -0.896 78.5 171.0-126.7 101.7 61.3 16.8 37.7 13 13 A G - 0 0 8 -2,-0.4 2,-0.4 -3,-0.3 14,-0.2 -0.244 33.1 -93.3 -93.9-171.3 57.8 16.1 36.2 14 14 A T E -F 26 0C 59 12,-1.9 12,-2.5 -2,-0.1 2,-0.3 -0.867 27.4-123.1-113.2 139.0 56.2 17.0 32.9 15 15 A K E +F 25 0C 131 -2,-0.4 2,-0.2 10,-0.2 10,-0.2 -0.624 36.1 167.7 -74.4 131.4 54.2 20.0 31.8 16 16 A V E -F 24 0C 3 8,-1.5 8,-1.9 -2,-0.3 7,-0.7 -0.715 30.1-110.3-126.2-176.8 50.7 19.4 30.3 17 17 A N E -F 22 0C 53 289,-0.5 2,-0.2 -2,-0.2 5,-0.2 -0.906 28.1-173.9-119.7 150.0 47.7 21.6 29.5 18 18 A T - 0 0 7 3,-2.4 401,-0.2 -2,-0.3 400,-0.1 -0.767 43.7 -97.7-128.8 174.8 44.3 21.8 31.2 19 19 A L S S+ 0 0 5 399,-0.8 1330,-0.2 -2,-0.2 400,-0.1 0.776 123.7 29.4 -52.3 -23.3 41.0 23.6 30.6 20 20 A T S S+ 0 0 15 1,-0.2 2,-0.3 398,-0.2 1325,-0.2 0.643 121.6 25.6-126.5 -27.4 42.2 26.1 33.1 21 21 A E - 0 0 104 1324,-0.1 -3,-2.4 1325,-0.1 2,-0.4 -0.921 64.0-127.0-146.5 157.1 46.0 26.5 33.1 22 22 A R E S+F 17 0C 159 -2,-0.3 -5,-0.2 1,-0.2 -3,-0.0 -0.938 84.1 7.2-113.6 140.3 48.9 26.1 30.7 23 23 A G E S+ 0 0 27 -7,-0.7 2,-0.6 -2,-0.4 -1,-0.2 0.965 73.6 173.6 56.9 56.8 52.0 24.0 31.5 24 24 A V E -F 16 0C 7 -8,-1.9 -8,-1.5 -3,-0.2 -1,-0.2 -0.873 31.4-124.6 -92.9 120.3 50.9 22.5 34.8 25 25 A E E -F 15 0C 62 -2,-0.6 288,-1.6 -10,-0.2 2,-0.3 -0.435 32.8-178.9 -68.8 131.7 53.5 20.0 36.0 26 26 A V E -FG 14 312C 0 -12,-2.5 -12,-1.9 286,-0.2 286,-0.2 -0.843 36.6-111.0-125.0 170.5 52.2 16.5 36.7 27 27 A V S S- 0 0 20 284,-2.1 2,-0.4 -2,-0.3 -1,-0.1 0.967 96.1 -0.7 -66.5 -57.3 53.9 13.3 37.9 28 28 A N + 0 0 99 283,-0.1 281,-2.9 -15,-0.1 282,-1.3 -0.998 68.4 175.7-137.1 137.0 53.7 11.2 34.7 29 29 A A E -H 308 0D 17 -2,-0.4 2,-0.3 279,-0.3 279,-0.3 -0.942 14.3-143.5-137.6 163.3 52.2 12.1 31.3 30 30 A T E -H 307 0D 59 277,-3.1 277,-3.4 -2,-0.3 2,-0.1 -0.949 19.9-108.5-136.4 149.4 52.0 10.4 27.9 31 31 A E E -H 306 0D 37 -2,-0.3 275,-0.2 275,-0.2 3,-0.1 -0.437 24.0-180.0 -81.3 154.2 52.1 11.4 24.3 32 32 A T + 0 0 0 273,-0.7 253,-1.5 1,-0.1 2,-0.5 0.537 60.8 73.6-133.2 -16.3 49.0 11.3 22.1 33 33 A V E S-i 285 0E 1 272,-0.2 2,-0.4 251,-0.1 253,-0.3 -0.913 77.6-129.5-107.8 122.8 50.2 12.5 18.7 34 34 A E E +i 286 0E 30 251,-3.0 253,-2.3 -2,-0.5 254,-0.2 -0.527 34.4 163.7 -70.1 124.6 52.3 10.1 16.6 35 35 A R + 0 0 124 -2,-0.4 2,-0.6 251,-0.2 -1,-0.1 0.440 45.1 96.2-115.6 -4.2 55.5 11.8 15.3 36 36 A T - 0 0 96 244,-0.1 244,-0.4 2,-0.0 2,-0.3 -0.804 52.4-165.4-104.2 119.3 57.5 8.8 14.3 37 37 A N - 0 0 52 -2,-0.6 242,-0.2 242,-0.1 240,-0.1 -0.696 16.8-142.0 -94.8 148.0 57.6 7.5 10.6 38 38 A V B -K 278 0F 26 240,-2.1 2,-3.3 -2,-0.3 240,-2.2 -0.934 18.1-144.2-106.8 107.1 58.8 4.2 9.4 39 39 A P S S+ 0 0 75 0, 0.0 224,-0.4 0, 0.0 2,-0.3 -0.102 72.8 67.6 -74.0 48.8 60.6 5.0 6.1 40 40 A R S S- 0 0 95 -2,-3.3 2,-0.8 222,-0.1 238,-0.5 -0.952 89.3-100.7-153.8 162.7 59.4 1.8 4.4 41 41 A I E -o 264 0G 0 222,-3.4 224,-3.1 -2,-0.3 2,-1.0 -0.843 34.8-146.8 -95.5 109.9 56.2 0.1 3.2 42 42 A b E +o 265 0G 0 -2,-0.8 228,-0.6 222,-0.2 224,-0.2 -0.679 33.8 157.1 -86.2 106.7 55.3 -2.4 5.8 43 43 A S B > +P 269 0H 6 222,-2.9 3,-2.5 -2,-1.0 223,-0.2 0.148 8.7 153.2-118.8 12.0 53.7 -5.2 4.0 44 44 A K T 3 S+ 0 0 89 224,-2.0 226,-0.2 221,-0.6 223,-0.1 -0.214 77.7 5.5 -48.4 129.7 54.1 -8.2 6.3 45 45 A G T 3 S+ 0 0 75 221,-0.3 2,-0.4 1,-0.2 -1,-0.3 0.465 106.4 113.8 76.9 3.2 51.3 -10.7 5.7 46 46 A K S < S- 0 0 47 -3,-2.5 2,-0.8 29,-0.0 -1,-0.2 -0.859 73.2-119.1-113.2 142.4 49.8 -8.8 2.7 47 47 A R - 0 0 163 -2,-0.4 28,-3.0 -3,-0.1 29,-2.1 -0.681 44.8-165.8 -77.2 106.8 49.7 -9.9 -0.9 48 48 A T E -q 76 0I 44 -2,-0.8 2,-0.4 26,-0.2 29,-0.2 -0.838 22.6-174.7-106.9 136.2 51.8 -7.1 -2.4 49 49 A V E -q 77 0I 19 27,-2.3 29,-2.7 -2,-0.4 2,-0.7 -0.967 9.0-163.1-123.8 114.2 52.2 -6.1 -6.1 50 50 A D E -q 78 0I 60 -2,-0.4 29,-0.2 27,-0.2 4,-0.1 -0.887 8.7-153.9 -99.5 116.1 54.7 -3.3 -6.7 51 51 A L > + 0 0 1 27,-3.1 3,-2.6 -2,-0.7 28,-0.1 0.629 23.8 173.6 -76.0 -15.4 54.0 -1.9 -10.1 52 52 A G T 3 S- 0 0 19 26,-0.3 28,-0.4 1,-0.3 -1,-0.2 -0.194 73.4 -3.8 55.9-126.0 57.5 -0.6 -10.9 53 53 A Q T 3 S+ 0 0 120 30,-0.2 31,-2.2 12,-0.1 2,-0.4 0.611 117.9 95.5 -75.2 -12.4 57.7 0.6 -14.4 54 54 A c B < S-s 84 0J 2 -3,-2.6 26,-0.3 29,-0.2 2,-0.3 -0.642 71.4-138.9 -82.6 132.0 54.2 -0.5 -15.1 55 55 A G >> - 0 0 6 29,-1.8 3,-1.1 -2,-0.4 4,-0.8 -0.674 20.9-119.1 -88.2 143.7 51.4 2.1 -14.7 56 56 A L T >4 S+ 0 0 1 -2,-0.3 3,-1.6 1,-0.3 4,-0.4 0.900 115.3 50.9 -48.6 -45.4 48.2 1.0 -13.0 57 57 A L T >> S+ 0 0 0 1,-0.3 3,-1.1 2,-0.2 4,-1.0 0.764 98.8 67.0 -69.8 -23.5 46.2 1.8 -16.1 58 58 A G H <> S+ 0 0 0 -3,-1.1 4,-2.2 1,-0.2 -1,-0.3 0.742 84.5 71.8 -60.4 -25.7 48.6 -0.3 -18.2 59 59 A T H << S+ 0 0 0 -3,-1.6 -1,-0.2 -4,-0.8 -2,-0.2 0.847 101.6 46.1 -65.4 -22.6 47.4 -3.4 -16.4 60 60 A I H <4 S+ 0 0 4 -3,-1.1 -1,-0.2 -4,-0.4 -2,-0.2 0.849 125.0 25.5 -84.5 -42.5 44.2 -3.0 -18.3 61 61 A T H < S- 0 0 0 -4,-1.0 78,-2.3 24,-0.2 79,-0.3 0.828 99.0-134.1 -99.3 -40.9 45.5 -2.3 -21.9 62 62 A G < - 0 0 0 -4,-2.2 76,-2.8 75,-0.2 78,-0.2 0.967 25.4-175.7 93.5 60.6 48.9 -4.0 -21.6 63 63 A P > - 0 0 0 0, 0.0 3,-2.9 0, 0.0 4,-0.3 -0.521 50.6 -92.1 -73.1 162.2 51.9 -2.2 -23.0 64 64 A P G > S+ 0 0 30 0, 0.0 3,-2.0 0, 0.0 4,-0.2 0.808 124.6 60.2 -48.2 -40.0 55.1 -4.2 -22.9 65 65 A Q G 3 S+ 0 0 64 1,-0.3 3,-0.2 2,-0.1 -11,-0.2 0.581 105.5 49.9 -62.5 -16.2 56.2 -2.9 -19.4 66 66 A c G X S+ 0 0 0 -3,-2.9 3,-2.9 1,-0.1 4,-0.4 0.340 73.2 112.2-107.7 6.9 53.0 -4.3 -17.9 67 67 A D G X S+ 0 0 53 -3,-2.0 3,-0.7 -4,-0.3 -1,-0.1 0.827 78.6 51.1 -51.6 -38.2 53.3 -7.8 -19.4 68 68 A Q G 3 S+ 0 0 171 -4,-0.2 -1,-0.3 1,-0.2 3,-0.1 0.417 111.3 49.9 -77.7 3.7 53.9 -9.3 -15.9 69 69 A F G X + 0 0 41 -3,-2.9 3,-0.8 1,-0.1 -1,-0.2 0.240 68.4 109.4-129.3 11.8 50.7 -7.6 -14.5 70 70 A L T < S+ 0 0 30 -3,-0.7 -2,-0.1 -4,-0.4 -1,-0.1 0.766 98.5 17.5 -60.4 -22.5 48.0 -8.4 -16.9 71 71 A E T 3 S+ 0 0 80 -3,-0.1 -1,-0.2 38,-0.1 -2,-0.1 -0.026 89.2 154.2-145.6 41.8 46.3 -10.7 -14.4 72 72 A F < - 0 0 19 -3,-0.8 36,-1.0 37,-0.1 2,-0.4 -0.074 31.4-144.3 -81.1 171.4 47.6 -10.0 -10.9 73 73 A S B +T 107 0K 50 34,-0.2 2,-0.3 -25,-0.1 34,-0.3 -0.998 28.0 160.9-131.8 132.1 46.2 -10.5 -7.4 74 74 A A - 0 0 3 32,-1.0 -26,-0.2 -2,-0.4 3,-0.1 -1.000 43.1-166.9-153.3 149.8 46.9 -8.2 -4.5 75 75 A D S S+ 0 0 68 -28,-3.0 181,-2.2 -2,-0.3 2,-0.4 0.591 99.1 31.7 -89.4 -28.3 45.8 -6.9 -1.0 76 76 A L E S-qr 48 256I 0 -29,-2.1 -27,-2.3 179,-0.2 2,-0.5 -0.985 71.5-162.7-138.8 120.2 48.2 -3.9 -1.4 77 77 A I E -qr 49 257I 0 179,-2.9 181,-2.6 -2,-0.4 2,-0.6 -0.917 6.3-158.3-111.5 127.6 49.0 -2.2 -4.8 78 78 A I E -qr 50 258I 0 -29,-2.7 -27,-3.1 -2,-0.5 2,-0.3 -0.921 3.2-163.9-113.7 115.1 52.1 0.0 -5.0 79 79 A E E - r 0 259I 15 179,-2.5 181,-2.1 -2,-0.6 2,-0.3 -0.776 10.1-154.0 -90.1 146.9 52.3 2.7 -7.7 80 80 A R > - 0 0 32 -28,-0.4 3,-1.9 -2,-0.3 181,-0.1 -0.875 25.7-119.8-118.9 154.7 55.7 4.3 -8.5 81 81 A R T 3 S+ 0 0 146 179,-0.4 -1,-0.1 -2,-0.3 180,-0.1 0.849 113.7 57.0 -60.0 -32.0 56.6 7.6 -10.0 82 82 A E T 3 S+ 0 0 101 2,-0.1 -1,-0.3 -28,-0.0 2,-0.1 0.524 81.5 124.5 -76.3 -2.8 58.4 5.9 -12.9 83 83 A G < - 0 0 28 -3,-1.9 2,-0.4 -29,-0.1 -29,-0.2 -0.363 43.3-164.8 -66.2 135.0 55.2 4.0 -13.8 84 84 A S B -s 54 0J 54 -31,-2.2 -29,-1.8 -2,-0.1 -2,-0.1 -0.970 17.9-166.8-127.9 130.8 53.9 4.5 -17.4 85 85 A D + 0 0 27 -2,-0.4 2,-0.3 -31,-0.2 -24,-0.2 0.570 69.7 54.3 -81.8 -10.4 50.4 3.6 -18.7 86 86 A V + 0 0 29 1,-0.1 -28,-0.1 -24,-0.1 -21,-0.1 -0.919 37.8 177.1-142.5 138.1 51.2 3.8 -22.3 87 87 A d S S+ 0 0 9 -2,-0.3 -1,-0.1 1,-0.3 3,-0.1 0.739 88.0 46.0-100.2 -62.7 53.5 2.6 -25.1 88 88 A Y S S- 0 0 9 1,-0.1 -1,-0.3 128,-0.0 133,-0.2 -0.617 111.2 -93.4 -76.7 131.5 52.0 4.4 -28.2 89 89 A P S S+ 0 0 7 0, 0.0 132,-2.2 0, 0.0 2,-0.3 -0.120 77.9 94.2 -59.0 149.3 51.3 8.0 -27.2 90 90 A G E -u 221 0L 16 130,-0.3 2,-0.3 -3,-0.1 132,-0.2 -0.931 55.0-114.3 153.8 179.0 47.8 8.9 -25.9 91 91 A K E -u 222 0L 61 130,-0.9 132,-2.4 -2,-0.3 2,-0.5 -0.917 21.2-109.4-142.5 166.3 45.9 9.3 -22.7 92 92 A F E > -u 223 0L 8 -2,-0.3 3,-0.8 130,-0.2 2,-0.4 -0.889 31.3-130.7 -97.7 131.1 43.0 7.8 -20.7 93 93 A V T 3 S+ 0 0 48 130,-2.9 132,-0.2 -2,-0.5 129,-0.0 -0.677 95.7 9.2 -80.2 126.8 39.9 9.8 -20.6 94 94 A N T 3> S+ 0 0 68 -2,-0.4 4,-1.3 130,-0.1 -1,-0.3 0.917 82.5 167.0 72.7 45.6 38.8 10.0 -17.0 95 95 A E H <> + 0 0 67 -3,-0.8 4,-2.9 1,-0.2 5,-0.2 0.863 63.5 56.3 -66.4 -40.8 42.0 8.4 -15.8 96 96 A E H > S+ 0 0 10 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.904 104.9 50.4 -65.7 -38.5 41.7 9.2 -12.1 97 97 A A H > S+ 0 0 0 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.896 112.6 49.9 -59.2 -40.0 38.3 7.5 -11.6 98 98 A L H X S+ 0 0 0 -4,-1.3 4,-2.3 2,-0.2 -2,-0.2 0.936 109.0 50.5 -69.0 -41.3 39.8 4.5 -13.3 99 99 A R H X S+ 0 0 8 -4,-2.9 4,-2.9 1,-0.2 -2,-0.2 0.935 109.4 52.1 -56.8 -46.7 42.8 4.5 -11.1 100 100 A Q H X S+ 0 0 14 -4,-2.7 4,-1.1 1,-0.2 -2,-0.2 0.921 110.3 47.6 -61.1 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