==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-JAN-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER VIRAL PROTEIN/IMMUNE SYSTEM 09-JUN-11 3SDY . COMPND 2 MOLECULE: HEMAGGLUTININ HA1 CHAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: INFLUENZA A VIRUS; . AUTHOR D.C.EKIERT,I.A.WILSON . 927 5 10 9 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 42145.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 598 64.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 35 3.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 266 28.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, 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 . 3 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 11 1.2 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 . 1 0.1 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 . 95 10.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 53 5.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 113 12.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 0.9 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 1 2 0 2 0 0 1 0 1 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 1 RESIDUES PER ALPHA HELIX . 3 2 3 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 0 PARALLEL BRIDGES PER LADDER . 11 8 10 4 5 11 2 0 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 4 4 6 2 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 P 0 0 136 0, 0.0 2,-0.1 0, 0.0 461,-0.1 0.000 360.0 360.0 360.0-145.8 56.8 66.5 39.4 2 10 A G - 0 0 14 459,-0.1 462,-0.6 457,-0.1 347,-0.3 -0.434 360.0-108.6 79.6-148.8 56.2 62.8 38.9 3 11 A A E -A 460 0A 8 457,-1.4 457,-2.7 460,-0.1 2,-0.4 -0.973 9.9-124.1-175.8 165.4 54.3 61.3 36.0 4 12 A T E -AB 459 347A 41 343,-2.3 343,-1.9 -2,-0.3 2,-0.6 -0.976 14.0-169.6-134.6 119.9 51.1 59.6 35.0 5 13 A L E -AB 458 346A 0 453,-1.6 453,-2.7 -2,-0.4 2,-0.5 -0.945 14.2-165.0-110.7 119.6 50.8 56.3 33.2 6 14 A a E -AB 457 345A 26 339,-3.7 339,-2.6 -2,-0.6 2,-0.3 -0.892 10.0-146.2-113.6 125.3 47.3 55.5 32.0 7 15 A L E + B 0 344A 5 449,-3.1 2,-0.3 -2,-0.5 337,-0.2 -0.694 31.9 156.4 -87.7 141.1 46.0 52.2 30.8 8 16 A G E - B 0 343A 0 335,-2.0 335,-2.2 -2,-0.3 2,-0.2 -0.934 30.6-140.0-153.8 171.2 43.4 52.1 28.1 9 17 A H E - B 0 342A 0 323,-0.4 325,-2.7 -2,-0.3 333,-0.2 -0.750 33.0 -96.2-128.7 178.3 41.8 50.1 25.3 10 18 A H B -e 334 0B 24 331,-1.7 305,-0.4 323,-0.3 2,-0.3 -0.417 30.9-168.8 -97.7 174.9 40.7 51.1 21.7 11 19 A A - 0 0 5 323,-1.0 326,-0.2 326,-0.2 303,-0.1 -0.960 12.1-137.1-153.6 163.4 37.4 52.1 20.3 12 20 A V - 0 0 36 -2,-0.3 3,-0.3 1,-0.1 321,-0.1 -0.912 23.0-121.3-127.5 156.8 35.7 52.6 16.9 13 21 A P S S+ 0 0 62 0, 0.0 2,-0.5 0, 0.0 -1,-0.1 0.938 103.0 18.2 -64.0 -48.9 33.4 55.4 15.7 14 22 A N S S- 0 0 133 15,-0.1 -3,-0.0 -3,-0.1 0, 0.0 -0.958 79.2-176.2-128.1 114.0 30.5 53.1 14.8 15 23 A G - 0 0 19 -2,-0.5 2,-0.3 -3,-0.3 14,-0.2 0.162 25.1-100.8 -86.7-155.3 30.5 49.6 16.2 16 24 A T E -F 28 0C 39 12,-2.5 12,-2.4 14,-0.1 2,-0.4 -0.972 23.7-122.6-134.3 149.7 28.1 46.7 15.7 17 25 A L E +F 27 0C 86 -2,-0.3 2,-0.3 10,-0.2 10,-0.2 -0.782 33.9 173.7 -96.5 135.3 25.3 45.4 17.8 18 26 A V E -F 26 0C 2 8,-2.6 8,-2.1 -2,-0.4 2,-0.4 -0.854 29.4-112.5-133.3 166.0 25.3 41.8 19.0 19 27 A K + 0 0 62 288,-0.5 405,-0.2 -2,-0.3 5,-0.2 -0.819 33.8 174.8-100.2 142.7 23.3 39.5 21.3 20 28 A T - 0 0 10 3,-2.8 402,-0.2 -2,-0.4 401,-0.2 -0.614 47.8 -91.1-126.6-171.0 24.6 38.1 24.6 21 29 A I S S+ 0 0 87 400,-0.5 401,-0.1 -2,-0.2 400,-0.1 0.942 125.6 26.2 -66.2 -48.3 23.2 36.1 27.4 22 30 A T S S+ 0 0 103 399,-0.1 2,-0.4 1,-0.1 -1,-0.1 0.582 120.4 54.5 -94.9 -12.0 22.1 39.2 29.4 23 31 A D - 0 0 66 1,-0.1 -3,-2.8 398,-0.1 3,-0.2 -0.971 54.0-160.2-129.2 137.7 21.6 41.8 26.6 24 32 A D S S+ 0 0 115 -2,-0.4 2,-0.4 1,-0.3 -1,-0.1 0.882 91.6 17.4 -80.2 -40.4 19.5 41.7 23.4 25 33 A Q S S+ 0 0 111 -6,-0.1 2,-0.3 -8,-0.1 -1,-0.3 -0.952 74.2 157.5-135.3 116.7 21.4 44.4 21.7 26 34 A I E -F 18 0C 22 -8,-2.1 -8,-2.6 -2,-0.4 2,-0.7 -0.998 37.1-117.1-140.7 144.2 24.9 45.5 22.9 27 35 A E E +F 17 0C 57 -2,-0.3 287,-2.5 -10,-0.2 -10,-0.2 -0.693 31.9 172.1 -94.6 114.6 27.7 47.3 20.9 28 36 A V E -FG 16 313C 0 -12,-2.4 -12,-2.5 -2,-0.7 285,-0.3 -0.609 42.8-110.8-103.4 174.6 31.1 45.7 20.3 29 37 A T S S+ 0 0 14 283,-2.6 2,-0.3 1,-0.2 284,-0.1 0.840 93.5 0.7 -76.5 -34.6 33.9 47.1 18.1 30 38 A N + 0 0 88 282,-0.3 280,-1.9 -14,-0.1 281,-0.9 -0.995 61.2 176.0-154.7 147.5 33.6 44.4 15.4 31 39 A A E -H 309 0D 11 -2,-0.3 2,-0.4 278,-0.3 278,-0.2 -0.984 18.2-138.4-148.8 160.2 31.5 41.3 14.5 32 40 A T E -H 308 0D 54 276,-2.4 276,-2.9 -2,-0.3 2,-0.3 -0.954 25.9-113.9-123.1 144.0 31.1 38.7 11.7 33 41 A E E -H 307 0D 39 -2,-0.4 274,-0.2 274,-0.2 272,-0.0 -0.572 21.8-174.0 -80.7 129.5 27.9 37.3 10.2 34 42 A L + 0 0 2 272,-2.6 252,-1.8 -2,-0.3 2,-0.5 0.452 64.1 76.3-100.0 -4.2 27.2 33.5 10.7 35 43 A V E S-i 286 0E 0 271,-0.2 2,-0.8 250,-0.1 252,-0.3 -0.938 72.3-141.3-113.5 120.4 24.1 33.2 8.6 36 44 A Q E +i 287 0E 10 250,-3.1 252,-2.3 -2,-0.5 253,-0.7 -0.663 28.2 169.8 -79.8 112.4 24.4 33.1 4.8 37 45 A S + 0 0 73 -2,-0.8 2,-0.3 250,-0.2 -1,-0.2 0.483 48.4 61.9-102.8 -4.5 21.4 35.1 3.6 38 46 A S - 0 0 70 243,-0.1 2,-0.3 2,-0.0 251,-0.1 -0.856 52.9-160.1-132.0 158.1 22.2 35.6 -0.1 39 47 A S - 0 0 40 -2,-0.3 241,-0.2 241,-0.1 239,-0.1 -0.924 28.8-129.7-130.0 155.1 22.7 33.7 -3.4 40 48 A T - 0 0 90 239,-1.4 238,-0.1 -2,-0.3 240,-0.1 0.781 50.1-123.5 -69.9 -28.2 24.3 34.6 -6.7 41 49 A G S S+ 0 0 33 238,-0.4 2,-0.4 1,-0.2 237,-0.1 0.364 79.2 85.6 101.9 -2.3 21.1 33.3 -8.3 42 50 A K S S- 0 0 79 237,-0.2 237,-1.7 222,-0.2 2,-0.5 -0.991 77.3-117.2-137.8 144.4 22.7 30.7 -10.5 43 51 A I E -k 266 0F 0 222,-2.1 224,-2.4 -2,-0.4 2,-0.2 -0.635 31.5-131.3 -82.0 119.0 23.8 27.1 -10.0 44 52 A b E -k 267 0F 5 -2,-0.5 224,-0.2 222,-0.2 226,-0.1 -0.489 5.8-142.6 -74.8 139.3 27.5 26.7 -10.5 45 53 A N E + 0 0 58 222,-1.7 5,-0.4 -2,-0.2 225,-0.1 0.317 62.7 101.5 -93.9 5.8 28.5 23.8 -12.8 46 54 A N E S+k 270 0F 81 223,-1.3 225,-2.2 3,-0.1 2,-0.2 -0.955 73.8 7.1-134.5 161.6 31.5 22.7 -10.8 47 55 A P S S+ 0 0 68 0, 0.0 225,-0.1 0, 0.0 3,-0.1 -0.848 119.7 56.2 -68.3 -40.7 32.6 20.7 -8.9 48 56 A H S S- 0 0 20 223,-0.3 2,-0.7 -2,-0.2 223,-0.1 -0.092 92.2-110.1 -56.8 146.4 29.5 18.6 -9.0 49 57 A R - 0 0 105 -3,-0.1 28,-2.4 2,-0.0 29,-2.1 -0.690 36.6-159.3 -78.4 115.8 28.3 17.3 -12.4 50 58 A I E -l 78 0G 22 -2,-0.7 2,-0.8 -5,-0.4 29,-0.2 -0.861 6.1-161.7-101.2 120.6 25.2 19.2 -13.0 51 59 A L E -l 79 0G 14 27,-2.5 29,-2.4 -2,-0.6 2,-0.5 -0.877 10.3-149.4-103.0 108.2 22.8 17.7 -15.5 52 60 A D E -l 80 0G 51 -2,-0.8 29,-0.1 27,-0.2 27,-0.1 -0.653 7.5-165.7 -76.4 121.4 20.4 20.3 -16.8 53 61 A G > + 0 0 0 27,-2.3 3,-2.9 -2,-0.5 -1,-0.2 0.458 16.3 179.4 -92.5 -4.0 17.2 18.4 -17.6 54 62 A I T 3 S- 0 0 59 1,-0.3 28,-0.6 26,-0.2 -1,-0.2 -0.045 70.9 -7.4 43.5-123.5 15.7 21.3 -19.5 55 63 A D T 3 S+ 0 0 54 30,-0.1 31,-2.2 12,-0.1 2,-0.4 0.396 120.5 89.6 -86.3 3.1 12.2 20.2 -20.9 56 64 A c < - 0 0 1 -3,-2.9 26,-0.4 29,-0.2 2,-0.3 -0.850 66.5-144.7-103.5 136.8 12.7 16.6 -19.7 57 65 A T >> - 0 0 18 -2,-0.4 4,-1.7 29,-0.2 3,-0.8 -0.761 33.6-112.2 -89.0 144.7 11.8 15.2 -16.4 58 66 A L H 3> S+ 0 0 0 -2,-0.3 4,-1.9 1,-0.3 -1,-0.1 0.812 118.6 53.1 -49.6 -36.3 14.2 12.5 -15.2 59 67 A I H 3> S+ 0 0 0 2,-0.2 4,-2.8 1,-0.2 -1,-0.3 0.901 105.8 53.2 -67.1 -40.6 11.5 9.8 -15.6 60 68 A D H <>>S+ 0 0 2 -3,-0.8 5,-2.1 1,-0.2 4,-1.3 0.850 110.6 47.0 -59.3 -37.0 10.9 10.9 -19.2 61 69 A A H <5S+ 0 0 9 -4,-1.7 -1,-0.2 2,-0.2 -2,-0.2 0.826 110.2 54.9 -76.0 -31.8 14.6 10.6 -20.0 62 70 A L H <5S+ 0 0 2 -4,-1.9 -2,-0.2 -5,-0.3 -1,-0.2 0.983 111.4 42.3 -55.6 -61.5 14.5 7.2 -18.2 63 71 A L H <5S- 0 0 1 -4,-2.8 79,-1.5 1,-0.1 80,-0.3 0.728 115.8-111.9 -64.6 -25.5 11.8 5.8 -20.5 64 72 A G T <5 - 0 0 2 -4,-1.3 77,-1.4 76,-0.2 -3,-0.2 0.700 38.6-172.6 98.3 23.0 13.2 7.3 -23.7 65 73 A D > < - 0 0 0 -5,-2.1 3,-1.8 75,-0.2 -1,-0.2 -0.245 33.5-118.7 -45.5 131.3 10.6 10.0 -24.6 66 74 A P G > S+ 0 0 14 0, 0.0 3,-2.1 0, 0.0 4,-0.2 0.851 110.9 48.7 -51.8 -48.2 11.8 11.1 -28.1 67 75 A H G 3 S+ 0 0 62 1,-0.3 3,-0.3 2,-0.1 -12,-0.1 0.606 109.4 58.0 -72.5 -7.6 12.6 14.8 -27.3 68 76 A c G X S+ 0 0 2 -3,-1.8 3,-2.6 -8,-0.2 -1,-0.3 0.338 71.3 109.6 -94.5 2.7 14.5 13.5 -24.3 69 77 A D G X + 0 0 45 -3,-2.1 3,-1.5 1,-0.3 -1,-0.2 0.729 60.4 75.3 -57.5 -21.7 16.8 11.3 -26.5 70 78 A V G 3 S+ 0 0 113 -3,-0.3 -1,-0.3 1,-0.2 -2,-0.1 0.677 88.7 64.1 -62.9 -12.9 19.7 13.6 -25.8 71 79 A F G X + 0 0 5 -3,-2.6 3,-1.9 3,-0.1 -1,-0.2 0.504 66.6 130.0 -93.7 -5.3 19.9 12.0 -22.3 72 80 A Q T < S+ 0 0 89 -3,-1.5 39,-0.1 1,-0.3 -10,-0.1 -0.197 84.2 3.0 -53.7 137.4 20.7 8.4 -23.2 73 81 A N T 3 S+ 0 0 95 37,-0.8 -1,-0.3 1,-0.2 38,-0.2 0.732 96.6 155.6 58.0 25.0 23.7 7.1 -21.1 74 82 A E < - 0 0 47 -3,-1.9 36,-2.9 36,-0.1 37,-0.3 -0.485 25.7-161.0 -80.7 152.2 23.9 10.4 -19.2 75 83 A T B +N 109 0H 61 34,-0.2 2,-0.3 -2,-0.2 34,-0.2 -0.915 11.3 175.1-128.9 158.8 25.4 10.6 -15.7 76 84 A W - 0 0 3 32,-2.1 3,-0.2 -2,-0.3 -26,-0.2 -0.996 37.0-157.7-157.7 158.1 25.0 13.2 -13.0 77 85 A D S S+ 0 0 60 -28,-2.4 181,-2.6 1,-0.4 2,-0.5 0.770 102.0 17.0 -95.1 -59.8 25.8 14.3 -9.5 78 86 A L E S-lm 50 258G 1 -29,-2.1 -27,-2.5 179,-0.2 2,-0.7 -0.975 74.0-156.4-113.9 121.9 22.9 16.6 -9.3 79 87 A F E -lm 51 259G 0 179,-2.4 181,-2.6 -2,-0.5 2,-0.8 -0.866 11.8-150.0 -93.2 116.7 20.1 16.3 -11.8 80 88 A V E -lm 52 260G 0 -29,-2.4 -27,-2.3 -2,-0.7 2,-0.4 -0.774 9.6-163.1 -95.2 110.1 18.2 19.6 -12.2 81 89 A E E - m 0 261G 17 179,-2.3 181,-1.3 -2,-0.8 -24,-0.1 -0.764 13.5-146.7 -94.7 127.8 14.6 19.1 -13.1 82 90 A R - 0 0 25 -28,-0.6 3,-0.3 -2,-0.4 181,-0.1 -0.387 19.7-127.6 -96.7 172.9 12.8 22.2 -14.4 83 91 A S S S+ 0 0 85 1,-0.2 -1,-0.1 -2,-0.1 180,-0.1 0.764 106.8 61.9 -84.0 -31.2 9.3 23.6 -14.3 84 92 A K S S+ 0 0 123 -30,-0.1 -1,-0.2 -28,-0.1 -29,-0.1 0.503 82.8 121.6 -72.5 -3.8 9.0 24.0 -18.1 85 93 A A + 0 0 21 -3,-0.3 2,-0.3 -31,-0.2 -29,-0.2 -0.120 33.0 156.9 -64.3 160.7 9.4 20.2 -18.4 86 94 A F - 0 0 97 -31,-2.2 2,-0.5 -29,-0.0 -29,-0.2 -0.963 38.1-108.3-175.4 163.2 6.8 18.0 -20.0 87 95 A S + 0 0 34 -2,-0.3 -31,-0.1 1,-0.1 -2,-0.0 -0.935 20.8 178.0-115.0 125.4 6.2 14.7 -21.7 88 96 A N + 0 0 85 -2,-0.5 44,-0.3 2,-0.1 -1,-0.1 0.370 57.8 91.1 -98.7 1.3 5.6 14.4 -25.4 89 97 A d S S- 0 0 0 1,-0.2 42,-0.2 42,-0.1 3,-0.1 -0.148 95.7 -51.1 -91.0-176.8 5.4 10.6 -25.5 90 98 A Y S S- 0 0 3 1,-0.1 -1,-0.2 38,-0.0 126,-0.1 -0.349 74.4-102.4 -51.7 129.0 2.5 8.1 -25.1 91 99 A P + 0 0 1 0, 0.0 131,-0.5 0, 0.0 2,-0.3 -0.225 54.2 163.8 -61.4 148.3 0.7 9.1 -21.9 92 100 A Y - 0 0 40 129,-0.2 2,-0.3 -3,-0.1 131,-0.2 -0.885 29.5-138.4-151.0 178.0 1.4 7.0 -18.8 93 101 A D B -o 223 0I 67 129,-2.1 131,-2.2 -2,-0.3 128,-0.0 -0.984 10.6-149.8-146.2 150.3 1.2 6.8 -15.1 94 102 A V > - 0 0 11 -2,-0.3 3,-1.3 129,-0.2 4,-0.2 -0.863 13.6-139.5-128.6 96.4 3.7 5.5 -12.5 95 103 A P T 3 S+ 0 0 53 0, 0.0 5,-0.1 0, 0.0 -2,-0.0 -0.348 98.4 10.0 -51.1 129.4 2.5 3.9 -9.3 96 104 A D T 3> S+ 0 0 108 3,-0.1 4,-1.6 2,-0.1 3,-0.5 0.923 82.2 167.4 58.4 46.3 4.9 5.2 -6.6 97 105 A Y H <> + 0 0 79 -3,-1.3 4,-2.8 1,-0.2 3,-0.4 0.928 69.0 60.7 -50.0 -49.9 6.3 7.7 -9.2 98 106 A A H > S+ 0 0 70 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.840 105.9 44.8 -50.5 -43.5 8.1 9.5 -6.3 99 107 A S H > S+ 0 0 36 -3,-0.5 4,-2.8 2,-0.2 -1,-0.2 0.808 111.9 50.4 -79.0 -32.1 10.1 6.5 -5.3 100 108 A L H X S+ 0 0 0 -4,-1.6 4,-2.6 -3,-0.4 5,-0.3 0.966 112.3 48.1 -65.5 -52.8 11.2 5.5 -8.8 101 109 A R 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