==== 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/IMMUNE SYSTEM 14-APR-99 1QFU . COMPND 2 MOLECULE: PROTEIN (HEMAGGLUTININ (HA1 CHAIN)); . SOURCE 2 ORGANISM_SCIENTIFIC: INFLUENZA A VIRUS (A/X-31(H3N2)); . AUTHOR D.FLEURY,B.GIGANT,T.BIZEBARD,R.S.DANIELS,J.J.SKEHEL,M.KNOSSO . 930 4 10 9 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 40525.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 622 66.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 39 4.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 235 25.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 10 1.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 3 0.3 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 . 125 13.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 60 6.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 110 11.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 1.3 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 2 1 1 1 0 0 2 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 RESIDUES PER ALPHA HELIX . 2 3 2 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 0 0 PARALLEL BRIDGES PER LADDER . 8 15 9 8 2 8 2 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 . 5 5 6 1 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 9 A S 0 0 84 0, 0.0 2,-0.3 0, 0.0 486,-0.1 0.000 360.0 360.0 360.0 -59.0 12.2 92.1 127.4 2 10 A T - 0 0 60 457,-0.2 460,-0.4 460,-0.0 2,-0.3 -0.805 360.0-178.4-129.5 165.1 11.3 92.6 123.7 3 11 A A E -A 458 0A 2 455,-1.6 455,-2.8 -2,-0.3 2,-0.4 -0.941 21.4-133.4-152.1 154.2 12.7 93.1 120.2 4 12 A T E -AB 457 345A 36 341,-2.2 341,-2.0 -2,-0.3 2,-0.5 -0.965 15.2-172.6-118.0 135.9 11.1 93.7 116.8 5 13 A L E -AB 456 344A 0 451,-2.1 451,-3.6 -2,-0.4 2,-0.5 -0.990 6.5-170.2-129.2 119.2 12.0 91.9 113.6 6 14 A a E -AB 455 343A 26 337,-3.5 337,-2.3 -2,-0.5 449,-0.3 -0.967 9.1-152.6-116.7 122.4 10.4 93.0 110.3 7 15 A L E + B 0 342A 3 447,-2.4 2,-0.3 -2,-0.5 335,-0.2 -0.498 32.4 144.2 -83.9 150.5 10.6 91.1 107.0 8 16 A G E - B 0 341A 0 333,-2.2 333,-2.7 -2,-0.2 2,-0.3 -0.946 35.1-123.2-167.2-171.7 10.4 93.1 103.8 9 17 A H E - B 0 340A 0 321,-0.3 323,-3.0 331,-0.3 331,-0.3 -0.955 33.2 -89.5-145.8 164.9 11.5 93.8 100.1 10 18 A H B -e 332 0B 24 329,-2.8 305,-0.4 -2,-0.3 2,-0.3 -0.074 31.0-171.7 -76.1 173.4 12.9 96.5 98.0 11 19 A A - 0 0 5 321,-0.9 303,-0.1 324,-0.2 3,-0.1 -0.952 12.7-141.3-157.2 155.5 11.3 99.2 96.0 12 20 A V - 0 0 35 -2,-0.3 3,-0.2 1,-0.1 321,-0.1 -0.952 22.2-122.9-124.1 150.7 12.5 101.8 93.5 13 21 A P S S+ 0 0 90 0, 0.0 2,-0.5 0, 0.0 -1,-0.1 0.937 102.1 27.3 -55.9 -49.3 11.4 105.4 93.2 14 22 A N S S- 0 0 131 15,-0.1 2,-0.1 -3,-0.1 -3,-0.0 -0.946 77.7-179.6-122.9 114.2 10.3 105.0 89.6 15 23 A G - 0 0 24 -2,-0.5 2,-0.4 -3,-0.2 14,-0.2 -0.175 26.7-101.9 -97.6-161.9 9.2 101.7 88.2 16 24 A T E -F 28 0C 39 12,-2.8 12,-2.3 -2,-0.1 14,-0.2 -0.979 23.7-129.8-131.2 123.4 8.0 100.3 84.9 17 25 A L E +F 27 0C 84 -2,-0.4 2,-0.3 10,-0.2 10,-0.2 -0.475 34.0 174.4 -70.7 137.0 4.4 99.6 83.9 18 26 A V E -F 26 0C 5 8,-2.1 8,-2.4 -2,-0.2 2,-0.4 -0.855 27.4-115.8-135.5 170.8 3.9 96.1 82.5 19 27 A K + 0 0 81 288,-0.4 2,-0.2 -2,-0.3 403,-0.2 -0.891 32.5 173.0-112.5 145.3 1.0 94.1 81.3 20 28 A T - 0 0 4 3,-2.6 400,-0.2 -2,-0.4 399,-0.1 -0.698 49.5 -81.5-135.5-172.4 -0.2 90.9 82.9 21 29 A I S S+ 0 0 84 398,-0.9 399,-0.1 -2,-0.2 3,-0.1 0.801 126.3 21.5 -65.0 -35.2 -3.1 88.5 82.6 22 30 A T S S+ 0 0 109 397,-0.2 2,-0.4 1,-0.1 -1,-0.2 0.601 118.3 60.8-111.6 -14.8 -5.4 90.5 84.8 23 31 A D - 0 0 76 1,-0.2 -3,-2.6 396,-0.1 3,-0.2 -0.953 56.0-156.2-127.3 132.8 -4.0 94.0 84.7 24 32 A D S S+ 0 0 115 -2,-0.4 2,-0.4 1,-0.3 -1,-0.2 0.962 90.7 9.6 -63.4 -56.5 -3.4 96.4 81.8 25 33 A Q S S+ 0 0 121 -6,-0.1 2,-0.4 -8,-0.1 -1,-0.3 -0.987 71.0 167.0-133.5 122.6 -0.7 98.4 83.5 26 34 A I E -F 18 0C 20 -8,-2.4 -8,-2.1 -2,-0.4 2,-0.4 -0.999 34.2-119.0-137.4 130.1 0.9 97.3 86.7 27 35 A E E +F 17 0C 65 -2,-0.4 287,-2.1 -10,-0.2 2,-0.3 -0.560 33.3 175.8 -78.3 127.4 4.2 98.8 88.1 28 36 A V E -FG 16 313C 0 -12,-2.3 -12,-2.8 -2,-0.4 285,-0.2 -0.794 40.9-113.8-122.3 165.0 7.2 96.6 88.6 29 37 A T S S+ 0 0 16 283,-2.8 2,-0.3 -2,-0.3 284,-0.1 0.683 93.5 0.8 -72.5 -17.4 10.8 97.4 89.7 30 38 A N - 0 0 87 282,-0.3 280,-1.3 -14,-0.2 281,-0.5 -0.983 58.6-179.1-167.1 159.5 12.3 96.5 86.3 31 39 A A E -H 309 0D 15 -2,-0.3 2,-0.3 278,-0.3 278,-0.2 -0.977 17.1-139.1-161.2 157.5 11.5 95.3 82.8 32 40 A T E -H 308 0D 55 276,-2.5 276,-3.4 -2,-0.3 2,-0.5 -0.918 26.8-115.7-125.8 147.0 13.3 94.4 79.6 33 41 A E E -H 307 0D 49 -2,-0.3 274,-0.2 274,-0.3 272,-0.0 -0.782 24.0-176.0 -85.8 129.8 12.1 95.2 76.1 34 42 A L + 0 0 0 272,-2.4 252,-1.7 -2,-0.5 2,-0.6 0.624 62.6 75.8 -98.7 -17.9 11.3 92.3 73.9 35 43 A V E -i 286 0E 2 271,-0.2 2,-0.6 250,-0.1 252,-0.3 -0.881 67.2-149.5-106.0 114.0 10.5 94.1 70.7 36 44 A Q E +i 287 0E 15 250,-2.8 252,-2.6 -2,-0.6 253,-0.3 -0.695 25.8 169.0 -76.0 113.5 13.5 95.5 68.6 37 45 A S + 0 0 66 -2,-0.6 2,-0.3 250,-0.2 -1,-0.1 0.351 44.5 58.7-116.3 9.5 11.9 98.6 66.9 38 46 A S - 0 0 75 243,-0.1 2,-0.3 2,-0.0 251,-0.1 -0.958 50.5-166.0-140.3 158.9 14.8 100.5 65.3 39 47 A S - 0 0 42 -2,-0.3 241,-0.2 241,-0.1 239,-0.1 -0.856 30.0-125.2-133.6 164.8 17.5 100.1 62.8 40 48 A T - 0 0 101 239,-1.1 238,-0.1 2,-0.3 3,-0.1 0.686 45.3-122.1 -84.2 -20.7 20.6 102.1 61.8 41 49 A G S S+ 0 0 8 1,-0.4 2,-0.3 238,-0.4 237,-0.1 0.189 80.9 101.9 99.4 -18.7 19.6 102.4 58.2 42 50 A K - 0 0 31 237,-0.2 237,-3.2 222,-0.1 -1,-0.4 -0.708 65.7-137.5 -99.3 153.0 22.7 100.8 57.0 43 51 A I E -k 266 0F 0 222,-2.2 224,-2.6 235,-0.3 2,-0.5 -0.861 25.1-127.4-105.7 140.5 23.1 97.1 55.9 44 52 A b E -k 267 0F 3 -2,-0.4 4,-0.3 222,-0.2 224,-0.2 -0.829 4.6-146.8-100.6 135.4 26.3 95.3 57.1 45 53 A N E + 0 0 42 222,-1.9 5,-0.3 -2,-0.5 225,-0.1 0.388 65.7 107.7 -74.2 1.0 28.7 93.5 54.8 46 54 A N E S-k 270 0F 72 223,-1.3 225,-2.3 1,-0.2 -2,-0.1 -0.999 80.1 -3.1-138.9 145.0 29.5 90.9 57.5 47 55 A P S S+ 0 0 64 0, 0.0 2,-0.4 0, 0.0 -1,-0.2 -0.976 122.8 60.8 -87.0 2.5 28.9 88.0 58.1 48 56 A H S S- 0 0 8 223,-0.5 2,-0.8 -4,-0.3 223,-0.0 -0.789 86.4-117.6 -96.1 135.1 26.7 87.6 55.0 49 57 A R - 0 0 120 -2,-0.4 28,-3.2 -3,-0.1 29,-2.4 -0.597 36.3-169.2 -70.4 105.3 28.2 88.2 51.5 50 58 A I E -l 78 0G 17 -2,-0.8 2,-0.7 -5,-0.3 29,-0.2 -0.916 8.4-158.1-101.3 124.0 26.1 91.2 50.3 51 59 A L E -l 79 0G 5 27,-2.1 29,-2.4 -2,-0.5 2,-0.5 -0.912 14.7-139.4-103.6 111.6 26.4 92.1 46.6 52 60 A D E -l 80 0G 1 -2,-0.7 763,-0.3 761,-0.5 3,-0.1 -0.609 7.3-155.9 -73.4 120.0 25.4 95.7 46.0 53 61 A G > - 0 0 0 27,-1.9 3,-3.0 -2,-0.5 -1,-0.2 0.592 17.6-172.7 -73.1 -9.7 23.5 95.7 42.7 54 62 A I T 3 S- 0 0 8 1,-0.3 28,-0.4 26,-0.2 -1,-0.2 -0.333 72.2 -15.9 51.1-119.3 24.2 99.3 42.0 55 63 A D T 3 S+ 0 0 10 12,-0.2 31,-1.7 -3,-0.1 2,-0.4 0.363 120.7 94.3 -96.4 10.0 22.1 100.2 39.0 56 64 A c < - 0 0 2 -3,-3.0 26,-0.4 29,-0.2 2,-0.1 -0.794 60.5-148.7-110.3 140.6 21.4 96.6 38.0 57 65 A T > - 0 0 20 -2,-0.4 4,-0.8 24,-0.1 5,-0.1 -0.366 39.5-104.6 -83.9 177.0 18.5 94.3 38.8 58 66 A L H >> S+ 0 0 0 2,-0.2 4,-2.2 1,-0.1 3,-0.6 0.942 118.4 54.5 -72.3 -44.2 19.5 90.6 39.0 59 67 A I H 3> S+ 0 0 0 1,-0.3 4,-2.8 2,-0.2 3,-0.5 0.953 106.7 48.8 -53.5 -55.5 18.0 89.8 35.6 60 68 A D H 3>>S+ 0 0 0 1,-0.3 5,-1.4 2,-0.2 4,-1.1 0.723 113.5 48.5 -59.4 -23.0 20.0 92.4 33.7 61 69 A A H <<5S+ 0 0 10 -4,-0.8 -1,-0.3 -3,-0.6 -2,-0.2 0.811 112.6 49.9 -84.2 -26.0 23.1 91.1 35.4 62 70 A L H <5S+ 0 0 1 -4,-2.2 -2,-0.2 -3,-0.5 -3,-0.2 0.953 117.3 37.1 -70.2 -54.7 22.0 87.6 34.5 63 71 A L H <5S- 0 0 0 -4,-2.8 79,-1.5 -5,-0.1 -3,-0.2 0.959 115.4-110.7 -64.0 -58.0 21.4 88.3 30.7 64 72 A G T <5 - 0 0 2 -4,-1.1 77,-2.0 -5,-0.3 5,-0.2 0.667 37.3-174.2 131.0 25.1 24.2 90.7 30.3 65 73 A D >>< - 0 0 1 -5,-1.4 3,-3.1 75,-0.2 4,-0.6 -0.260 41.6-112.2 -47.6 127.4 23.0 94.3 29.8 66 74 A P G >4 S+ 0 0 10 0, 0.0 3,-1.3 0, 0.0 488,-0.4 0.782 114.6 52.3 -32.1 -50.9 26.3 96.2 29.0 67 75 A H G 34 S+ 0 0 21 1,-0.3 -12,-0.2 486,-0.2 486,-0.2 0.486 108.4 52.2 -74.6 -0.5 26.2 98.2 32.2 68 76 A c G X4 S+ 0 0 1 -3,-3.1 3,-2.9 -8,-0.2 -1,-0.3 0.414 76.3 97.8-110.9 -3.6 25.8 95.1 34.4 69 77 A D G X< + 0 0 30 -3,-1.3 3,-1.4 -4,-0.6 -2,-0.1 0.650 67.3 77.3 -61.5 -11.9 28.8 93.2 32.9 70 78 A V G 3 S+ 0 0 15 1,-0.3 -1,-0.3 -4,-0.2 -2,-0.1 0.747 90.7 57.8 -68.6 -17.9 30.7 94.5 35.9 71 79 A F G X S+ 0 0 1 -3,-2.9 3,-1.5 -18,-0.1 2,-0.3 0.068 74.5 143.7 -98.5 22.3 28.7 91.6 37.7 72 80 A Q T < S- 0 0 79 -3,-1.4 39,-0.1 1,-0.3 -10,-0.1 -0.465 76.7 -3.5 -70.3 129.3 29.9 88.8 35.6 73 81 A N T 3 S+ 0 0 79 37,-1.2 38,-0.3 -2,-0.3 -1,-0.3 0.708 94.7 155.9 67.6 19.5 30.5 85.6 37.5 74 82 A E < - 0 0 43 -3,-1.5 36,-2.1 36,-0.2 2,-0.3 -0.360 27.2-154.9 -76.6 162.1 29.6 87.2 40.9 75 83 A T B +N 109 0H 44 34,-0.2 2,-0.3 35,-0.1 34,-0.2 -0.962 14.9 173.2-135.4 150.7 28.4 85.4 43.9 76 84 A W - 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