==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=17-MAY-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER VIRAL PROTEIN 30-NOV-12 4I78 . COMPND 2 MOLECULE: HEMAGGLUTININ HA1; . SOURCE 2 ORGANISM_SCIENTIFIC: INFLUENZA A VIRUS; . AUTHOR X.ZHU,I.A.WILSON . 978 4 12 10 2 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 50262.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 652 66.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 51 5.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 203 20.8 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 . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 16 1.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 2 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 . 106 10.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 53 5.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 197 20.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 0.5 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 2 1 5 0 0 2 0 0 0 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 2 RESIDUES PER ALPHA HELIX . 7 5 5 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 . 13 11 10 1 4 5 2 0 2 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 . 6 5 5 2 0 0 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 11 A D 0 0 52 0, 0.0 945,-2.0 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 113.6 37.6 -13.9 -134.0 2 12 A R E -AB 833 945A 52 831,-1.1 831,-2.8 943,-0.2 2,-0.3 -0.795 360.0-159.4-125.6 161.4 39.0 -14.9 -130.6 3 13 A I E -AB 832 944A 3 941,-1.4 941,-1.9 -2,-0.3 2,-0.3 -0.930 16.6-164.0-142.2 128.3 38.1 -16.6 -127.4 4 14 A a E -AB 831 943A 0 827,-4.1 827,-2.4 -2,-0.3 2,-0.5 -0.844 15.8-141.3-114.4 146.0 40.0 -16.1 -124.1 5 15 A I E +A 830 0A 0 937,-2.4 810,-3.0 -2,-0.3 2,-0.2 -0.919 41.6 144.8-100.7 126.1 40.2 -18.0 -120.8 6 16 A G E -A 829 0A 0 823,-3.1 823,-2.2 -2,-0.5 2,-0.3 -0.844 33.8-123.0-148.6-177.6 40.4 -15.7 -117.7 7 17 A Y E -A 828 0A 22 811,-0.4 813,-3.4 -2,-0.2 821,-0.2 -0.937 32.7 -81.0-139.2 163.4 39.4 -15.1 -114.1 8 18 A Q B -e 820 0B 25 819,-2.8 2,-0.3 -2,-0.3 813,-0.2 -0.177 35.4-179.5 -60.3 143.0 37.6 -12.7 -111.8 9 19 A A - 0 0 3 811,-1.4 2,-0.3 814,-0.3 308,-0.1 -0.910 14.3-177.1-137.0 169.6 39.2 -9.6 -110.3 10 20 A N - 0 0 64 -2,-0.3 811,-0.1 2,-0.2 18,-0.1 -0.867 42.6-100.0-160.7 169.8 37.5 -7.2 -108.0 11 21 A Q S S+ 0 0 160 -2,-0.3 2,-0.1 16,-0.1 16,-0.1 0.368 73.8 125.3 -88.9 -1.3 37.3 -4.0 -105.9 12 22 A N - 0 0 40 1,-0.1 -2,-0.2 15,-0.1 16,-0.1 -0.394 44.4-163.7 -69.3 134.8 38.1 -5.9 -102.6 13 23 A N + 0 0 144 -2,-0.1 -1,-0.1 12,-0.1 14,-0.1 0.411 45.6 121.7-106.0 -0.2 41.0 -4.5 -100.6 14 24 A Q - 0 0 64 12,-0.3 12,-2.4 11,-0.1 2,-0.3 -0.380 40.9-167.1 -60.7 140.3 41.7 -7.5 -98.3 15 25 A T E -F 25 0C 60 10,-0.3 2,-0.3 -2,-0.1 8,-0.1 -0.806 0.6-162.0-120.6 165.3 45.2 -9.0 -98.5 16 26 A V E -F 24 0C 3 8,-1.3 8,-2.9 -2,-0.3 2,-0.3 -0.962 14.7-120.1-144.9 163.1 46.5 -12.3 -97.0 17 27 A N + 0 0 58 293,-0.3 2,-0.3 -2,-0.3 5,-0.2 -0.796 28.4 175.7-109.4 147.6 49.8 -13.9 -96.1 18 28 A T - 0 0 10 3,-2.6 890,-0.2 -2,-0.3 889,-0.2 -0.874 46.7 -94.3-139.0 174.8 51.3 -17.2 -97.5 19 29 A L S S+ 0 0 101 888,-1.2 889,-0.1 -2,-0.3 888,-0.1 0.867 123.6 31.6 -54.6 -39.2 54.4 -19.3 -97.3 20 30 A L S S+ 0 0 146 887,-0.2 2,-0.3 1,-0.1 -1,-0.2 0.634 122.1 34.2-103.1 -19.5 55.8 -17.7 -100.4 21 31 A E - 0 0 88 3,-0.0 -3,-2.6 0, 0.0 2,-0.5 -0.981 63.7-131.3-141.3 154.3 54.5 -14.1 -100.3 22 32 A Q S S- 0 0 151 -2,-0.3 -5,-0.2 -5,-0.2 -3,-0.0 -0.865 82.5 -6.7-101.2 131.6 53.5 -11.3 -98.0 23 33 A N S S- 0 0 89 -2,-0.5 -6,-0.2 1,-0.2 -1,-0.2 0.907 72.2-173.7 61.0 52.7 50.2 -9.4 -98.3 24 34 A V E -F 16 0C 1 -8,-2.9 -8,-1.3 -3,-0.3 -1,-0.2 -0.705 24.9-121.8 -84.7 121.4 48.8 -10.9 -101.5 25 35 A P E -F 15 0C 60 0, 0.0 292,-2.6 0, 0.0 2,-0.3 -0.337 35.0-172.5 -61.9 134.0 45.5 -9.1 -102.6 26 36 A V B -G 316 0D 0 -12,-2.4 -12,-0.3 290,-0.3 290,-0.2 -0.942 36.7-127.0-133.2 159.1 42.5 -11.4 -102.9 27 37 A T S S- 0 0 17 288,-2.0 2,-0.2 -2,-0.3 -16,-0.1 0.512 94.5 -3.7 -77.2 -4.9 38.9 -11.1 -104.2 28 38 A G + 0 0 16 287,-0.2 286,-3.0 -14,-0.1 285,-2.1 -0.853 64.1 168.3 174.5 144.7 37.6 -12.5 -100.8 29 39 A A E -H 312 0E 21 283,-0.3 2,-0.4 284,-0.2 283,-0.2 -0.949 22.4-125.6-160.4 173.7 38.8 -13.9 -97.5 30 40 A Q E -H 311 0E 85 281,-2.7 281,-3.0 -2,-0.3 2,-0.5 -0.991 13.5-132.2-140.7 127.7 37.6 -14.9 -94.0 31 41 A E E +H 310 0E 51 -2,-0.4 279,-0.2 279,-0.2 -2,-0.0 -0.678 21.7 177.3 -72.1 122.2 38.7 -13.9 -90.4 32 42 A I + 0 0 0 277,-2.4 257,-1.1 -2,-0.5 2,-0.5 0.259 58.7 83.2-108.5 13.2 39.1 -17.1 -88.3 33 43 A L E S-i 289 0F 1 276,-0.2 2,-0.3 255,-0.1 257,-0.2 -0.959 72.4-141.0-118.3 114.2 40.2 -15.2 -85.2 34 44 A E E +i 290 0F 27 255,-3.0 257,-1.8 -2,-0.5 258,-0.3 -0.577 24.7 172.5 -72.9 133.2 37.6 -13.6 -82.8 35 45 A T + 0 0 60 -2,-0.3 2,-0.3 255,-0.2 -1,-0.1 0.202 45.2 67.5-134.9 17.7 38.9 -10.2 -81.6 36 46 A N - 0 0 101 248,-0.1 248,-0.6 245,-0.0 2,-0.1 -0.992 49.5-163.5-148.8 142.5 36.1 -8.6 -79.6 37 47 A H B -K 283 0G 88 -2,-0.3 246,-0.2 246,-0.1 244,-0.1 -0.267 28.8-122.0 -99.8-173.2 34.1 -9.0 -76.5 38 48 A N - 0 0 71 244,-0.5 243,-0.1 2,-0.2 245,-0.1 0.231 39.6-124.2-118.8 4.3 30.9 -7.5 -75.3 39 49 A G S S+ 0 0 29 243,-0.2 2,-0.3 1,-0.2 242,-0.2 0.725 73.6 101.9 60.3 26.5 32.2 -5.9 -72.1 40 50 A K S S- 0 0 102 227,-0.1 2,-0.6 238,-0.0 238,-0.2 -0.968 71.3-123.1-135.5 152.2 29.8 -7.6 -69.7 41 51 A L E -l 269 0H 0 227,-1.4 229,-2.2 -2,-0.3 2,-0.2 -0.880 45.5-173.7 -89.4 122.9 29.8 -10.5 -67.2 42 52 A b E - 0 0 0 -2,-0.6 231,-0.2 227,-0.2 2,-0.1 -0.613 29.7 -94.4-116.9 168.1 27.1 -12.9 -68.3 43 53 A S E -l 273 0H 13 229,-2.3 231,-1.9 227,-0.4 2,-0.6 -0.434 43.9-121.7 -73.8 162.9 25.4 -16.0 -67.3 44 53AA L E > S-lM 274 47H 5 3,-3.4 3,-1.9 1,-0.2 231,-0.2 -0.952 83.0 -20.5-123.2 111.0 26.9 -19.1 -68.8 45 54 A N T 3 S- 0 0 82 229,-2.2 -1,-0.2 -2,-0.6 230,-0.1 0.880 129.7 -53.0 50.6 41.5 24.6 -21.3 -70.9 46 55 A G T 3 S+ 0 0 52 228,-0.2 -1,-0.3 1,-0.2 229,-0.1 0.370 117.3 113.9 77.0 -5.5 21.7 -19.5 -69.0 47 56 A V B < -M 44 0H 25 -3,-1.9 -3,-3.4 29,-0.0 -1,-0.2 -0.889 62.2-139.6 -95.1 121.6 23.1 -20.3 -65.5 48 57 A P - 0 0 68 0, 0.0 29,-2.3 0, 0.0 30,-0.4 -0.284 15.5-104.8 -79.8 164.8 24.2 -17.0 -63.9 49 58 A P - 0 0 13 0, 0.0 2,-0.5 0, 0.0 30,-0.2 -0.299 38.8 -97.9 -75.3 168.8 27.3 -16.4 -61.8 50 59 A L B -n 79 0I 2 28,-2.8 30,-2.2 56,-0.2 2,-0.6 -0.821 37.2-164.7 -87.2 128.6 27.2 -16.0 -58.0 51 60 A D + 0 0 51 -2,-0.5 30,-0.1 28,-0.1 19,-0.1 -0.855 18.0 171.0-119.2 95.9 27.2 -12.3 -57.0 52 61 A L > - 0 0 18 -2,-0.6 3,-2.4 28,-0.5 -1,-0.1 0.484 19.5-171.8 -84.3 0.7 28.1 -11.8 -53.4 53 62 A Q T 3 S+ 0 0 126 1,-0.3 -1,-0.2 27,-0.1 29,-0.0 -0.213 72.3 1.7 43.5-110.4 28.3 -8.0 -53.8 54 63 A S T 3 S+ 0 0 52 31,-0.1 33,-1.8 12,-0.1 -1,-0.3 0.598 118.5 85.3 -87.0 -9.0 29.7 -6.6 -50.5 55 64 A c B < S-p 87 0J 11 -3,-2.4 2,-0.2 31,-0.1 33,-0.2 -0.620 71.9-128.7 -89.0 151.5 30.1 -10.0 -48.7 56 65 A T > - 0 0 33 31,-2.3 4,-2.4 -2,-0.2 5,-0.2 -0.594 28.8-114.0 -79.1 155.0 33.0 -12.4 -48.8 57 66 A L H > S+ 0 0 13 -2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.897 120.6 48.6 -56.1 -42.3 32.2 -16.1 -49.6 58 67 A A H > S+ 0 0 3 1,-0.2 4,-2.4 2,-0.2 5,-0.3 0.935 110.0 51.4 -63.6 -45.2 33.4 -16.9 -46.1 59 68 A G H >>S+ 0 0 0 28,-0.2 5,-2.8 1,-0.2 4,-1.3 0.896 111.7 48.4 -56.6 -40.6 31.2 -14.2 -44.6 60 69 A W H <5S+ 0 0 27 -4,-2.4 -1,-0.2 3,-0.2 -2,-0.2 0.947 112.5 44.6 -68.4 -50.7 28.2 -15.5 -46.5 61 70 A L H <5S+ 0 0 2 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.845 111.8 52.6 -65.4 -37.4 28.5 -19.1 -45.6 62 71 A L H <5S- 0 0 1 -4,-2.4 83,-1.8 -5,-0.2 84,-0.5 0.835 114.9-117.6 -66.3 -31.0 29.2 -18.5 -41.9 63 72 A G T <5 - 0 0 6 -4,-1.3 81,-3.4 -5,-0.3 -3,-0.2 0.854 35.0-164.5 89.0 41.6 26.1 -16.4 -41.8 64 73 A N > < - 0 0 2 -5,-2.8 3,-1.4 79,-0.2 -1,-0.1 -0.305 27.9-121.5 -45.7 136.6 27.6 -13.1 -40.9 65 74 A P G > S+ 0 0 11 0, 0.0 3,-0.6 0, 0.0 -1,-0.1 0.725 111.4 57.5 -57.3 -23.1 24.9 -10.7 -39.7 66 75 A N G 3 S+ 0 0 75 1,-0.2 21,-0.1 22,-0.1 -12,-0.1 0.529 95.8 62.9 -87.0 -5.8 25.8 -8.3 -42.6 67 76 A c G < + 0 0 8 -3,-1.4 2,-2.8 -8,-0.2 3,-0.2 0.241 64.3 124.6 -96.8 15.8 25.3 -10.8 -45.3 68 77 A D < + 0 0 72 -3,-0.6 -1,-0.1 1,-0.2 3,-0.0 -0.214 59.2 65.9 -82.9 57.5 21.5 -11.2 -44.6 69 78 A N + 0 0 131 -2,-2.8 -1,-0.2 1,-0.1 -2,-0.1 0.629 58.4 86.4-135.7 -75.1 20.4 -10.4 -48.2 70 79 A L S S- 0 0 62 -3,-0.2 -1,-0.1 -18,-0.1 3,-0.1 -0.081 78.5-110.0 -48.8 145.6 21.0 -12.3 -51.4 71 80 A L - 0 0 134 1,-0.2 2,-1.4 -3,-0.0 -1,-0.1 -0.265 46.0 -75.1 -74.1 162.7 18.3 -15.0 -51.9 72 81 A E - 0 0 89 1,-0.1 2,-0.7 2,-0.0 -1,-0.2 -0.463 50.2-150.1 -61.0 93.6 19.1 -18.7 -51.5 73 81AA A - 0 0 23 -2,-1.4 3,-0.1 1,-0.2 -1,-0.1 -0.626 7.5-163.3 -68.1 112.0 20.9 -19.0 -54.9 74 82 A E - 0 0 92 -2,-0.7 2,-0.3 1,-0.2 -1,-0.2 0.811 67.5 -1.3 -70.8 -27.1 20.0 -22.6 -55.5 75 83 A E - 0 0 57 35,-0.1 2,-0.3 -3,-0.1 34,-0.2 -0.975 57.5-172.5-156.9 163.9 22.8 -22.7 -58.2 76 84 A W B -Q 108 0K 0 32,-2.1 32,-1.2 -2,-0.3 184,-0.2 -0.965 24.0-142.3-163.4 151.3 25.6 -20.8 -60.1 77 85 A S S S- 0 0 7 -29,-2.3 2,-0.3 -2,-0.3 -1,-0.1 0.610 83.0 -21.3 -95.1 -18.4 27.9 -21.3 -63.0 78 86 A Y S S- 0 0 0 -30,-0.4 -28,-2.8 182,-0.2 2,-0.4 -0.916 70.6 -97.4-171.0 176.4 31.0 -19.5 -61.5 79 87 A I E -no 50 262I 5 182,-2.1 184,-2.8 -2,-0.3 2,-0.5 -0.939 15.5-143.1-114.1 128.6 31.8 -16.9 -58.8 80 88 A K E - o 0 263I 36 -30,-2.2 -28,-0.5 -2,-0.4 2,-0.4 -0.759 31.4-146.6 -77.7 124.5 32.4 -13.1 -59.3 81 89 A I E - o 0 264I 29 182,-2.7 184,-0.6 -2,-0.5 2,-0.5 -0.826 11.7-158.0-103.8 135.4 35.2 -12.4 -56.8 82 90 A N - 0 0 80 -2,-0.4 3,-0.3 -27,-0.2 184,-0.0 -0.957 3.4-159.9-105.9 132.1 35.5 -9.1 -54.9 83 91 A E S S+ 0 0 106 -2,-0.5 2,-0.5 1,-0.3 -1,-0.1 0.849 87.5 31.9 -78.5 -37.9 39.0 -8.4 -53.6 84 92 A N S S+ 0 0 137 -28,-0.0 -1,-0.3 0, 0.0 -28,-0.0 -0.863 71.9 156.8-121.3 94.6 37.9 -5.8 -51.0 85 93 A A - 0 0 17 -2,-0.5 -29,-0.1 -3,-0.3 -31,-0.1 -0.993 34.1-146.9-114.9 123.6 34.5 -6.8 -49.7 86 94 A P S S+ 0 0 103 0, 0.0 2,-1.1 0, 0.0 -31,-0.1 0.842 78.6 75.5 -61.1 -37.9 33.9 -5.3 -46.3 87 95 A D B +p 55 0J 31 -33,-1.8 -31,-2.3 1,-0.1 -28,-0.2 -0.618 62.0 113.1 -92.5 94.9 31.7 -8.0 -44.8 88 96 A D S S- 0 0 66 -2,-1.1 2,-0.7 -33,-0.2 -22,-0.1 0.407 75.0 -1.1-127.3-109.3 34.0 -10.9 -44.0 89 96AA L - 0 0 28 1,-0.2 -1,-0.1 4,-0.1 4,-0.1 -0.813 53.7-173.2 -95.4 112.8 34.8 -12.3 -40.4 90 97 A d S S+ 0 0 11 -2,-0.7 -1,-0.2 1,-0.1 -31,-0.0 0.947 79.1 52.8 -73.6 -41.6 33.0 -10.2 -37.8 91 98 A F S S- 0 0 0 43,-0.1 132,-0.1 1,-0.1 -1,-0.1 -0.832 107.7-109.2 -88.2 122.2 34.7 -11.9 -34.8 92 99 A P + 0 0 15 0, 0.0 131,-1.5 0, 0.0 2,-0.3 -0.192 65.2 99.4 -59.9 138.6 38.5 -11.6 -35.6 93 100 A G E -r 223 0K 22 129,-0.2 2,-0.3 -4,-0.1 131,-0.2 -0.978 63.2 -62.8 177.1-161.5 40.3 -14.8 -36.6 94 101 A N E -r 224 0K 93 129,-1.3 131,-3.3 -2,-0.3 2,-0.6 -0.855 29.4-142.3-112.4 145.0 41.8 -17.1 -39.2 95 102 A F E > -r 225 0K 38 -2,-0.3 2,-0.6 129,-0.2 3,-0.6 -0.942 19.4-143.5-107.6 120.8 40.1 -19.0 -42.0 96 103 A E T 3 S- 0 0 66 129,-2.5 131,-0.4 -2,-0.6 -2,-0.0 -0.674 73.4 -3.2 -91.3 116.5 41.6 -22.4 -42.6 97 104 A N T 3> + 0 0 92 -2,-0.6 4,-1.1 129,-0.1 -1,-0.2 0.931 68.5 159.8 72.6 52.9 41.7 -23.6 -46.2 98 105 A L H <> + 0 0 47 -3,-0.6 4,-2.5 2,-0.2 5,-0.2 0.904 69.5 57.1 -67.7 -41.0 40.0 -20.9 -48.1 99 106 A Q H > S+ 0 0 77 1,-0.3 4,-2.1 2,-0.2 5,-0.2 0.944 108.5 46.1 -65.5 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