==== 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 4DJ7 . COMPND 2 MOLECULE: HEMAGGLUTININ; . SOURCE 2 ORGANISM_SCIENTIFIC: INFLUENZA A VIRUS . AUTHOR H.YANG,P.J.CARNEY,R.O.DONIS,J.STEVENS . 1458 6 18 15 3 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 58335.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 938 64.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 68 4.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 291 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 . 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 . 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 . 117 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 110 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 276 18.9 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 1 1 0 7 3 0 0 0 0 0 0 0 0 3 0 0 0 0 0 0 0 0 0 0 0 3 RESIDUES PER ALPHA HELIX . 7 9 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 . 19 18 13 7 7 5 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 1 2 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 0 130 0, 0.0 456,-2.9 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 -52.8 47.4 -21.3 -20.4 2 2 A K E -AB 344 456A 72 342,-1.8 342,-2.9 454,-0.2 2,-0.4 -0.988 360.0-162.2-140.9 138.1 46.5 -20.5 -16.7 3 3 A I E -AB 343 455A 2 452,-1.8 452,-3.1 -2,-0.4 2,-0.4 -0.913 21.4-173.1-105.7 133.8 47.7 -18.8 -13.6 4 4 A a E -AB 342 454A 17 338,-2.4 338,-3.8 -2,-0.4 2,-0.2 -0.997 11.2-150.6-127.7 138.8 46.1 -19.8 -10.2 5 5 A L E +A 341 0A 4 448,-1.1 2,-0.3 -2,-0.4 336,-0.2 -0.618 25.8 152.6-103.5 165.1 46.4 -18.4 -6.7 6 6 A G E -A 340 0A 0 334,-1.9 334,-2.9 -2,-0.2 2,-0.3 -0.969 31.9-112.5-176.2 173.6 46.0 -20.3 -3.5 7 7 A H E -A 339 0A 0 322,-0.4 324,-2.8 -2,-0.3 332,-0.2 -0.787 33.5 -96.0-129.1 165.2 46.9 -20.6 0.2 8 8 A H B +e 331 0B 24 330,-2.1 306,-0.3 -2,-0.3 2,-0.3 -0.228 35.4 174.9 -83.2 168.1 48.9 -23.0 2.4 9 9 A A - 0 0 5 322,-0.7 2,-0.3 325,-0.2 325,-0.2 -0.957 17.0-140.3-159.4 172.2 47.8 -26.0 4.5 10 10 A V - 0 0 53 -2,-0.3 3,-0.2 1,-0.1 320,-0.1 -0.944 24.6-118.8-142.7 158.3 49.2 -28.8 6.6 11 11 A S S S+ 0 0 98 -2,-0.3 2,-0.5 1,-0.3 -1,-0.1 0.838 104.1 31.6 -76.9 -33.5 48.3 -32.5 7.1 12 12 A N S S+ 0 0 127 15,-0.1 -1,-0.3 -3,-0.0 2,-0.2 -0.971 73.8 172.0-121.0 112.9 47.5 -32.2 10.8 13 13 A G - 0 0 4 -2,-0.5 2,-0.4 -3,-0.2 14,-0.2 -0.452 30.8-106.3 -96.8-175.0 46.1 -28.9 12.1 14 14 A T E -F 26 0C 59 12,-2.1 12,-2.5 -2,-0.2 2,-0.4 -0.927 25.4-117.4-119.8 142.3 44.8 -28.1 15.6 15 15 A K E +F 25 0C 131 -2,-0.4 2,-0.2 10,-0.2 10,-0.2 -0.619 34.7 170.7 -78.9 126.8 41.2 -27.5 16.7 16 16 A V E -F 24 0C 3 8,-1.8 8,-1.7 -2,-0.4 2,-0.3 -0.753 29.8-114.9-115.2 172.0 40.1 -24.1 18.1 17 17 A N - 0 0 48 289,-0.5 2,-0.2 -2,-0.2 5,-0.2 -0.849 29.9-174.2-104.0 147.5 36.6 -22.8 19.0 18 18 A T - 0 0 7 3,-2.7 401,-0.2 -2,-0.3 400,-0.2 -0.704 43.7 -94.3-123.0-174.5 34.9 -19.9 17.3 19 19 A L S S+ 0 0 5 399,-0.8 1329,-0.2 -2,-0.2 400,-0.1 0.709 124.8 26.9 -65.1 -16.0 31.8 -17.8 17.7 20 20 A T S S+ 0 0 16 1,-0.3 2,-0.3 398,-0.2 1324,-0.2 0.599 121.9 32.0-132.7 -22.3 30.1 -20.1 15.3 21 21 A E - 0 0 105 1323,-0.1 -3,-2.7 1324,-0.1 3,-0.3 -0.992 61.5-134.0-149.5 141.5 31.7 -23.6 15.3 22 22 A R S S+ 0 0 165 -2,-0.3 -5,-0.2 -5,-0.2 -6,-0.1 -0.745 86.2 9.0 -90.6 149.8 33.4 -25.9 17.8 23 23 A G S S+ 0 0 28 -2,-0.3 2,-0.5 1,-0.2 -6,-0.2 0.818 75.5 171.2 52.8 43.0 36.6 -27.7 16.9 24 24 A V E -F 16 0C 9 -8,-1.7 -8,-1.8 -3,-0.3 2,-0.4 -0.729 33.8-121.5 -82.9 126.7 37.4 -25.9 13.6 25 25 A E E +F 15 0C 56 -2,-0.5 288,-2.7 -10,-0.2 2,-0.3 -0.518 33.7 179.0 -75.5 122.3 40.8 -26.9 12.4 26 26 A V E -FG 14 312C 0 -12,-2.5 -12,-2.1 -2,-0.4 286,-0.2 -0.764 37.2-113.4-115.1 170.2 43.4 -24.1 11.8 27 27 A V S S+ 0 0 24 284,-1.9 2,-0.3 -2,-0.3 285,-0.1 0.913 94.8 1.2 -71.8 -50.7 47.0 -24.3 10.6 28 28 A N + 0 0 101 283,-0.1 281,-2.8 -15,-0.1 282,-0.6 -0.986 68.0 173.7-135.0 143.3 48.7 -23.1 13.9 29 29 A A E -H 308 0D 16 -2,-0.3 2,-0.3 279,-0.3 279,-0.2 -0.956 14.6-144.4-140.5 165.9 47.3 -22.1 17.3 30 30 A T E -H 307 0D 62 277,-2.6 277,-2.6 -2,-0.3 -2,-0.0 -0.990 21.3-103.7-141.6 144.9 48.7 -21.3 20.7 31 31 A E E -H 306 0D 32 -2,-0.3 275,-0.2 275,-0.2 3,-0.1 -0.249 23.2-178.8 -66.5 153.2 47.8 -21.7 24.4 32 32 A T + 0 0 2 273,-0.5 253,-1.8 1,-0.1 2,-0.6 0.485 63.6 74.4-129.8 -16.4 46.3 -18.9 26.4 33 33 A V E S-i 285 0E 1 251,-0.1 2,-0.3 250,-0.1 253,-0.3 -0.916 75.5-134.3-112.8 118.1 46.0 -20.7 29.8 34 34 A E E +i 286 0E 25 251,-3.0 253,-2.4 -2,-0.6 254,-0.2 -0.468 33.2 161.9 -67.4 122.7 49.1 -21.4 31.9 35 35 A R + 0 0 121 -2,-0.3 2,-0.6 251,-0.2 -1,-0.2 0.526 44.5 98.6-115.0 -10.3 49.1 -24.9 33.3 36 36 A T - 0 0 94 244,-0.1 244,-0.4 2,-0.0 2,-0.3 -0.725 52.2-166.4 -90.9 120.4 52.8 -25.2 34.3 37 37 A N - 0 0 50 -2,-0.6 242,-0.2 242,-0.1 240,-0.1 -0.698 16.6-142.1 -98.2 148.2 53.9 -24.7 37.9 38 38 A V B -K 278 0F 27 240,-2.5 240,-2.1 -2,-0.3 2,-2.1 -0.924 16.8-143.1-107.0 114.1 57.4 -24.2 39.2 39 39 A P S S+ 0 0 77 0, 0.0 224,-0.4 0, 0.0 2,-0.3 -0.041 72.8 70.1 -76.6 45.2 57.6 -26.0 42.5 40 40 A R S S- 0 0 100 -2,-2.1 2,-1.0 238,-0.2 238,-0.7 -0.961 88.7-103.6-151.9 152.6 59.8 -23.4 44.1 41 41 A I E -o 264 0G 0 222,-2.8 224,-2.9 -2,-0.3 2,-1.0 -0.802 35.5-147.7 -81.3 100.6 59.7 -19.8 45.4 42 42 A b E +o 265 0G 1 -2,-1.0 228,-0.8 222,-0.2 224,-0.2 -0.644 32.5 161.7 -75.9 101.3 61.5 -18.0 42.6 43 43 A S B > +P 269 0H 8 222,-2.6 3,-2.5 -2,-1.0 223,-0.2 0.286 8.8 149.5-110.8 6.1 63.1 -15.3 44.7 44 44 A K T 3 S+ 0 0 90 224,-1.9 226,-0.1 221,-0.7 223,-0.1 -0.188 75.9 5.1 -54.1 121.9 65.8 -13.9 42.4 45 45 A G T 3 S+ 0 0 76 1,-0.2 2,-0.5 221,-0.2 -1,-0.3 0.483 104.5 114.2 85.7 3.8 66.5 -10.2 43.0 46 46 A K S < S- 0 0 50 -3,-2.5 2,-0.6 29,-0.0 -1,-0.2 -0.925 74.0-119.9-109.4 128.4 64.2 -10.0 45.9 47 47 A R - 0 0 156 -2,-0.5 28,-3.2 -3,-0.1 29,-2.2 -0.472 47.0-163.0 -51.8 108.8 65.2 -9.2 49.5 48 48 A T E -q 76 0I 47 -2,-0.6 2,-0.5 26,-0.2 29,-0.2 -0.842 26.6-176.9-113.6 137.9 63.8 -12.4 51.1 49 49 A V E -q 77 0I 20 27,-2.1 29,-2.4 -2,-0.4 2,-0.8 -0.942 7.7-166.6-127.5 107.0 63.0 -13.4 54.6 50 50 A D E -q 78 0I 63 -2,-0.5 29,-0.2 27,-0.2 4,-0.1 -0.857 7.8-160.2 -91.3 109.0 61.9 -17.0 55.1 51 51 A L > + 0 0 2 27,-2.5 3,-2.8 -2,-0.8 28,-0.1 0.674 21.9 169.3 -67.5 -21.8 60.5 -17.0 58.7 52 52 A G T 3 S+ 0 0 16 26,-0.4 28,-0.4 1,-0.3 -1,-0.2 -0.194 73.8 6.8 46.6-112.3 60.6 -20.8 59.2 53 53 A Q T 3 S+ 0 0 131 30,-0.1 31,-0.5 12,-0.1 2,-0.5 0.567 116.2 90.4 -75.8 -12.3 60.0 -21.5 62.9 54 54 A c S < S- 0 0 1 -3,-2.8 26,-0.4 29,-0.2 2,-0.3 -0.768 72.2-139.1 -90.2 126.3 59.1 -17.9 63.6 55 55 A G >> - 0 0 5 29,-2.2 4,-0.9 -2,-0.5 3,-0.8 -0.648 23.1-117.7 -79.8 142.6 55.5 -16.8 63.3 56 56 A L T >4 S+ 0 0 2 -2,-0.3 3,-1.5 1,-0.3 4,-0.3 0.890 115.9 49.4 -48.2 -49.5 55.0 -13.4 61.6 57 57 A L T >> S+ 0 0 0 1,-0.3 3,-2.2 2,-0.2 4,-0.9 0.848 99.0 70.4 -58.3 -35.6 53.4 -11.9 64.8 58 58 A G H <> S+ 0 0 0 -3,-0.8 4,-2.0 1,-0.3 3,-0.3 0.815 83.5 69.3 -44.8 -37.9 56.3 -13.2 66.8 59 59 A T H << S+ 0 0 0 -3,-1.5 -1,-0.3 -4,-0.9 -2,-0.2 0.698 101.6 48.5 -61.6 -16.8 58.6 -10.6 65.1 60 60 A I H <4 S+ 0 0 6 -3,-2.2 -1,-0.2 -4,-0.3 -2,-0.2 0.851 124.0 23.4 -89.9 -39.0 56.7 -8.0 67.1 61 61 A T H < S- 0 0 0 -4,-0.9 78,-2.5 -3,-0.3 79,-0.4 0.853 100.8-130.6-101.4 -47.1 56.7 -9.4 70.6 62 62 A G < - 0 0 0 -4,-2.0 76,-3.0 76,-0.2 78,-0.1 0.947 28.3-177.9 100.4 63.0 59.8 -11.7 70.4 63 63 A P > - 0 0 0 0, 0.0 3,-2.2 0, 0.0 4,-0.3 -0.398 51.9 -93.0 -70.1 163.3 59.6 -15.3 71.5 64 64 A P G > S+ 0 0 34 0, 0.0 3,-1.6 0, 0.0 4,-0.3 0.826 123.2 64.4 -48.8 -39.8 62.9 -17.2 71.2 65 65 A Q G 3 S+ 0 0 59 1,-0.3 3,-0.2 -12,-0.1 -11,-0.1 0.679 107.1 44.4 -53.2 -25.5 62.0 -18.6 67.7 66 66 A c G X S+ 0 0 0 -3,-2.2 3,-2.8 1,-0.1 4,-0.4 0.302 73.9 110.1-109.5 3.1 62.0 -15.0 66.4 67 67 A D G X S+ 0 0 49 -3,-1.6 3,-1.2 1,-0.3 -1,-0.1 0.910 81.5 52.9 -48.8 -43.9 65.2 -13.6 68.0 68 68 A Q G 3 S+ 0 0 173 -4,-0.3 -1,-0.3 1,-0.2 -2,-0.1 0.289 111.6 48.5 -75.1 12.5 66.8 -13.5 64.6 69 69 A F G X + 0 0 41 -3,-2.8 3,-1.0 -11,-0.1 -1,-0.2 0.317 68.2 111.1-134.3 7.1 63.9 -11.6 63.1 70 70 A L T < S+ 0 0 29 -3,-1.2 -2,-0.1 -4,-0.4 -3,-0.1 0.752 96.5 19.2 -62.7 -22.7 63.2 -8.7 65.5 71 71 A E T 3 S+ 0 0 82 38,-0.1 -1,-0.3 2,-0.0 -2,-0.1 0.020 87.8 153.5-140.2 39.4 64.3 -6.1 63.0 72 72 A F < - 0 0 21 -3,-1.0 36,-1.2 35,-0.1 2,-0.3 0.108 31.6-144.1 -72.7 172.4 64.3 -7.5 59.4 73 73 A S B +S 107 0J 53 34,-0.2 2,-0.3 -25,-0.1 34,-0.3 -0.993 28.2 164.2-129.9 145.9 64.0 -6.0 55.9 74 74 A A - 0 0 2 32,-1.4 -26,-0.2 -2,-0.3 3,-0.1 -0.997 43.1-169.1-160.0 146.0 62.2 -7.7 53.0 75 75 A D S S+ 0 0 70 -28,-3.2 181,-2.4 1,-0.3 2,-0.4 0.637 99.0 30.1 -95.7 -30.5 60.6 -7.4 49.6 76 76 A L E S-qr 48 256I 1 -29,-2.2 -27,-2.1 179,-0.2 2,-0.5 -0.990 71.4-165.2-137.6 121.6 59.2 -10.9 50.0 77 77 A I E -qr 49 257I 0 179,-2.8 181,-2.6 -2,-0.4 2,-0.5 -0.946 5.3-159.4-116.5 128.0 58.2 -12.5 53.3 78 78 A I E -qr 50 258I 0 -29,-2.4 -27,-2.5 -2,-0.5 2,-0.4 -0.888 0.3-160.4-115.7 115.7 57.5 -16.2 53.6 79 79 A E E - r 0 259I 14 179,-2.4 181,-1.7 -2,-0.5 2,-0.3 -0.791 13.6-148.0 -87.3 139.4 55.4 -17.7 56.4 80 80 A R > - 0 0 29 -28,-0.4 3,-1.7 -2,-0.4 181,-0.1 -0.703 23.0-118.1-104.5 161.3 55.9 -21.4 57.1 81 81 A R T 3 S+ 0 0 126 179,-0.4 -1,-0.1 1,-0.3 180,-0.1 0.706 115.6 53.6 -71.9 -10.7 53.3 -23.9 58.4 82 82 A E T 3 S+ 0 0 109 -30,-0.1 -1,-0.3 -28,-0.1 -27,-0.1 0.302 80.7 125.3-109.1 12.1 55.5 -24.5 61.5 83 83 A G < - 0 0 27 -3,-1.7 2,-0.3 -29,-0.2 -29,-0.2 -0.282 42.3-163.8 -69.1 157.6 55.7 -20.8 62.4 84 84 A S - 0 0 52 -31,-0.5 -29,-2.2 1,-0.1 -26,-0.1 -0.993 20.2-161.9-158.9 131.4 54.6 -19.9 65.8 85 85 A D + 0 0 26 -2,-0.3 2,-0.3 -31,-0.2 -23,-0.2 0.523 69.3 48.5 -94.6 -6.4 53.7 -16.6 67.4 86 86 A V - 0 0 30 1,-0.1 -21,-0.1 -24,-0.1 -28,-0.1 -0.943 37.7-177.4-152.1 135.8 54.0 -17.3 71.0 87 87 A d S S+ 0 0 7 -2,-0.3 -1,-0.1 1,-0.3 -2,-0.0 0.734 87.1 49.8-103.0 -59.8 56.2 -18.8 73.7 88 88 A Y S S- 0 0 3 1,-0.1 -1,-0.3 41,-0.0 133,-0.2 -0.649 111.5 -91.6 -75.1 132.1 54.0 -18.4 76.8 89 89 A P S S+ 0 0 6 0, 0.0 132,-1.5 0, 0.0 2,-0.3 -0.175 81.4 95.0 -54.1 128.8 50.5 -19.7 76.0 90 90 A G - 0 0 13 130,-0.2 2,-0.3 -3,-0.0 132,-0.2 -0.964 56.5-112.2 170.5-178.8 48.2 -17.0 74.7 91 91 A K - 0 0 59 130,-0.4 132,-2.3 -2,-0.3 2,-0.5 -0.905 19.5-115.1-136.7 160.0 46.8 -15.3 71.5 92 92 A F B > -t 223 0K 5 -2,-0.3 3,-0.8 130,-0.2 2,-0.4 -0.869 34.8-132.4 -88.4 128.9 47.0 -12.1 69.5 93 93 A V T 3 S+ 0 0 51 130,-2.7 132,-0.1 -2,-0.5 5,-0.1 -0.730 91.7 10.7 -81.1 130.6 43.6 -10.5 69.5 94 94 A N T 3> S+ 0 0 71 -2,-0.4 4,-1.5 3,-0.1 -1,-0.3 0.920 86.1 164.7 70.4 42.9 42.6 -9.5 66.0 95 95 A E H <> + 0 0 64 -3,-0.8 4,-2.6 1,-0.2 5,-0.2 0.871 59.5 56.8 -65.6 -47.7 45.6 -11.4 64.6 96 96 A E H > S+ 0 0 12 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.912 106.1 52.3 -62.3 -35.0 44.8 -11.7 60.9 97 97 A A H > S+ 0 0 0 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.986 110.2 48.7 -54.8 -61.6 44.6 -7.9 60.5 98 98 A L H X S+ 0 0 0 -4,-1.5 4,-2.6 1,-0.2 -2,-0.2 0.881 110.2 51.5 -45.3 -44.4 48.0 -7.6 62.2 99 99 A R H X S+ 0 0 14 -4,-2.6 4,-2.9 1,-0.2 -1,-0.2 0.956 107.4 53.1 -61.1 -47.2 49.4 -10.3 59.8 100 100 A Q H X S+ 0 0 12 -4,-2.7 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