==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=11-JAN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER VIRAL PROTEIN 30-OCT-12 2YPG . COMPND 2 MOLECULE: HEMAGGLUTININ HA1 CHAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: INFLUENZA A VIRUS (A/X-31(H3N2)); . AUTHOR J.LIU,X.XIONG,L.F.HAIRE,Y.P.LIN,S.A.WHARTON,S.R.MARTIN,P.J.C . 1473 6 18 15 3 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 56226.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 939 63.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 81 5.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 291 19.8 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 . 3 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 26 1.8 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 . 128 8.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 83 5.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 294 20.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 0.8 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 3 0 6 0 0 3 3 0 0 0 0 0 3 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 . 18 10 20 6 3 8 1 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 . 12 12 3 3 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 0 115 0, 0.0 2,-0.2 0, 0.0 460,-0.1 0.000 360.0 360.0 360.0 163.2 97.2 19.9 -19.6 2 10 A T - 0 0 55 457,-0.1 2,-0.3 458,-0.1 457,-0.2 -0.772 360.0-137.7-145.1 177.2 94.1 21.4 -18.1 3 11 A A E -A 458 0A 2 455,-2.2 455,-3.2 -2,-0.2 2,-0.4 -0.969 12.1-133.2-145.2 160.6 91.2 23.8 -18.6 4 12 A T E -AB 457 345A 43 341,-2.4 341,-2.1 -2,-0.3 2,-0.5 -0.959 14.1-172.1-119.5 134.1 89.4 26.4 -16.6 5 13 A L E -AB 456 344A 0 451,-2.4 451,-3.1 -2,-0.4 2,-0.4 -0.959 8.2-168.3-128.0 110.9 85.6 26.8 -16.4 6 14 A a E -AB 455 343A 27 337,-3.4 337,-2.5 -2,-0.5 2,-0.3 -0.858 8.3-150.8-102.7 132.5 84.2 29.9 -14.6 7 15 A L E + B 0 342A 3 447,-2.7 2,-0.3 -2,-0.4 335,-0.2 -0.751 31.5 146.0 -96.0 147.5 80.6 30.2 -13.6 8 16 A G E - B 0 341A 0 333,-2.1 333,-2.0 -2,-0.3 2,-0.3 -0.899 35.2-123.1-161.6-172.7 79.1 33.7 -13.4 9 17 A H E - B 0 340A 0 321,-0.3 323,-2.3 -2,-0.3 331,-0.2 -0.925 33.1 -94.1-143.7 165.6 76.1 36.0 -13.9 10 18 A H B -e 332 0B 25 329,-2.3 305,-0.3 -2,-0.3 2,-0.3 -0.232 30.5-172.0 -83.0 168.5 75.3 39.2 -15.8 11 19 A A - 0 0 5 321,-1.2 324,-0.1 320,-0.2 303,-0.1 -0.964 12.8-140.1-150.6 159.2 75.5 42.8 -14.8 12 20 A V - 0 0 39 -2,-0.3 3,-0.3 1,-0.1 321,-0.1 -0.901 17.0-131.8-121.6 153.3 74.5 46.1 -16.4 13 21 A P S S+ 0 0 100 0, 0.0 2,-0.6 0, 0.0 -1,-0.1 0.857 102.6 45.0 -70.1 -32.6 76.3 49.4 -16.5 14 22 A N S S+ 0 0 145 15,-0.1 -3,-0.0 -3,-0.0 0, 0.0 -0.783 78.8 175.2-118.1 86.3 73.2 51.3 -15.4 15 23 A G - 0 0 17 -2,-0.6 2,-0.4 -3,-0.3 14,-0.2 -0.111 26.7-116.6 -79.2-179.9 71.4 49.5 -12.5 16 24 A T E -F 28 0C 38 12,-2.6 12,-3.0 10,-0.0 2,-0.3 -0.980 19.0-129.3-122.5 136.4 68.3 50.6 -10.5 17 25 A L E +F 27 0C 88 -2,-0.4 2,-0.3 10,-0.2 10,-0.2 -0.673 33.4 175.7 -82.6 134.5 68.2 51.3 -6.8 18 26 A V E -F 26 0C 5 8,-2.4 8,-1.9 -2,-0.3 2,-0.3 -0.899 28.2-113.2-134.2 164.7 65.5 49.4 -4.8 19 27 A K + 0 0 67 288,-0.4 403,-0.2 -2,-0.3 5,-0.2 -0.779 34.9 170.8 -98.9 143.4 64.4 49.0 -1.1 20 28 A T - 0 0 1 3,-2.9 400,-0.2 -2,-0.3 399,-0.2 -0.633 49.7 -86.5-131.8-168.9 64.6 45.7 0.8 21 29 A I S S+ 0 0 13 398,-0.6 846,-0.2 -2,-0.2 399,-0.1 0.910 127.3 25.9 -67.6 -44.8 64.2 44.5 4.3 22 30 A T S S+ 0 0 7 397,-0.2 2,-0.4 1,-0.1 -1,-0.2 0.494 119.1 62.4 -99.2 -6.3 67.8 45.2 5.3 23 31 A D - 0 0 63 1,-0.1 -3,-2.9 396,-0.1 3,-0.2 -0.979 52.0-162.0-135.7 131.3 68.6 48.0 2.8 24 32 A D S S+ 0 0 93 -2,-0.4 2,-0.3 1,-0.3 -1,-0.1 0.858 93.6 6.5 -72.0 -39.2 67.3 51.5 2.2 25 33 A Q S S+ 0 0 128 -6,-0.1 2,-0.3 -8,-0.0 -1,-0.3 -0.943 71.9 162.6-149.1 124.0 68.8 51.5 -1.3 26 34 A I E -F 18 0C 24 -8,-1.9 -8,-2.4 -2,-0.3 2,-0.4 -0.995 36.4-113.4-145.2 140.4 70.5 48.6 -3.1 27 35 A E E +F 17 0C 57 -2,-0.3 287,-2.4 -10,-0.2 2,-0.2 -0.618 33.8 173.4 -88.3 124.9 71.3 48.2 -6.8 28 36 A V E -FG 16 313C 0 -12,-3.0 -12,-2.6 -2,-0.4 285,-0.3 -0.743 43.2-108.9-116.9 169.0 69.6 45.5 -8.9 29 37 A T S S- 0 0 13 283,-2.8 2,-0.3 -2,-0.2 284,-0.1 0.807 94.3 -7.1 -70.8 -30.1 69.8 45.0 -12.7 30 38 A N - 0 0 91 282,-0.3 280,-2.7 -14,-0.1 281,-0.5 -0.980 61.5-175.1-163.3 151.1 66.3 46.1 -13.4 31 39 A A E -H 309 0D 17 -2,-0.3 2,-0.3 278,-0.3 278,-0.2 -0.929 15.9-135.3-144.1 168.9 63.1 47.1 -11.5 32 40 A T E -H 308 0D 54 276,-2.3 276,-3.1 -2,-0.3 2,-0.3 -0.988 24.5-114.0-132.9 144.3 59.5 48.0 -12.3 33 41 A E E -H 307 0D 46 -2,-0.3 274,-0.2 274,-0.2 272,-0.0 -0.595 23.7-177.4 -81.6 129.1 57.3 50.9 -10.9 34 42 A L + 0 0 2 272,-2.7 252,-1.9 -2,-0.3 2,-0.6 0.480 63.8 76.5-102.5 -7.1 54.4 49.9 -8.8 35 43 A V E S-i 286 0E 1 271,-0.3 2,-0.5 250,-0.1 252,-0.3 -0.927 70.9-146.1-110.8 114.1 52.9 53.4 -8.2 36 44 A Q E +i 287 0E 10 250,-2.8 252,-2.8 -2,-0.6 253,-0.5 -0.666 28.7 164.8 -73.6 120.5 51.0 55.0 -11.0 37 45 A S + 0 0 73 -2,-0.5 2,-0.3 250,-0.2 -1,-0.1 0.347 46.5 66.0-125.6 5.6 51.8 58.7 -10.7 38 46 A S - 0 0 74 243,-0.1 2,-0.3 2,-0.0 251,-0.1 -0.908 50.8-170.4-131.4 158.3 50.8 60.2 -14.0 39 47 A S - 0 0 39 -2,-0.3 241,-0.2 241,-0.1 239,-0.1 -0.952 33.8-123.8-138.9 156.2 47.6 60.8 -16.0 40 48 A T - 0 0 108 239,-0.9 238,-0.1 -2,-0.3 3,-0.1 0.724 49.6-120.3 -70.3 -21.9 46.8 62.0 -19.5 41 49 A G S S+ 0 0 31 238,-0.4 2,-0.4 1,-0.3 237,-0.1 0.416 81.1 99.4 94.8 2.3 44.7 64.8 -18.0 42 50 A K S S- 0 0 85 237,-0.3 237,-2.8 222,-0.2 2,-0.6 -0.943 70.4-129.9-128.5 140.7 41.6 63.5 -19.8 43 51 A I E -k 266 0F 0 222,-2.3 224,-2.5 -2,-0.4 2,-0.2 -0.810 29.2-133.1 -89.3 118.9 38.6 61.4 -18.7 44 52 A b E -k 267 0F 10 -2,-0.6 4,-0.2 222,-0.2 224,-0.2 -0.545 3.0-141.7 -75.7 136.5 38.0 58.6 -21.2 45 53 A N E + 0 0 54 222,-2.5 5,-0.4 -2,-0.2 225,-0.1 0.386 64.3 108.2 -84.9 2.7 34.3 58.2 -22.3 46 54 A N E S+k 270 0F 83 223,-1.4 225,-2.6 221,-0.2 -2,-0.1 -0.967 73.9 2.1-131.4 155.3 34.6 54.4 -22.3 47 55 A P S S+ 0 0 51 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.997 120.5 57.9 -83.1 -10.6 33.8 51.9 -20.9 48 56 A H S S- 0 0 2 223,-0.4 2,-0.8 -4,-0.2 223,-0.1 -0.515 87.9-111.8 -83.0 148.2 31.7 53.8 -18.4 49 57 A R - 0 0 117 -2,-0.2 28,-2.5 -3,-0.1 29,-2.4 -0.696 37.0-165.1 -78.2 112.0 28.9 56.2 -19.3 50 58 A I E -l 78 0G 27 -2,-0.8 2,-0.6 -5,-0.4 29,-0.2 -0.884 6.8-164.0-105.0 123.2 30.1 59.6 -18.5 51 59 A L E -l 79 0G 18 27,-2.5 29,-2.7 -2,-0.5 2,-0.6 -0.942 13.6-143.7-107.9 117.2 27.6 62.5 -18.3 52 60 A D E -l 80 0G 49 -2,-0.6 3,-0.2 27,-0.2 29,-0.1 -0.720 4.4-159.2 -82.0 116.8 29.2 65.9 -18.4 53 61 A G > + 0 0 0 27,-2.5 3,-2.7 -2,-0.6 2,-0.2 0.678 22.9 176.8 -66.2 -20.4 27.2 68.3 -16.2 54 62 A I T 3 S- 0 0 95 26,-0.3 28,-0.4 1,-0.3 -1,-0.2 -0.293 74.3 -1.5 51.4-109.8 28.7 71.3 -18.1 55 63 A D T 3 S+ 0 0 72 -2,-0.2 31,-2.2 12,-0.2 2,-0.4 0.359 124.0 84.4 -89.1 8.6 26.9 74.3 -16.5 56 64 A c < - 0 0 3 -3,-2.7 26,-0.3 29,-0.2 2,-0.2 -0.915 62.2-147.2-125.6 133.8 24.8 72.2 -14.1 57 65 A T > - 0 0 24 -2,-0.4 4,-1.9 29,-0.2 5,-0.2 -0.549 39.5-110.4 -76.7 158.1 25.2 70.5 -10.7 58 66 A L H > S+ 0 0 0 1,-0.2 4,-2.5 2,-0.2 5,-0.1 0.905 119.4 54.8 -57.1 -42.2 23.2 67.3 -10.4 59 67 A I H > S+ 0 0 0 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.889 108.0 47.7 -62.5 -40.3 20.8 69.0 -7.9 60 68 A D H >>S+ 0 0 0 2,-0.2 5,-2.2 1,-0.2 4,-1.8 0.839 111.9 50.9 -69.3 -31.8 20.0 71.7 -10.5 61 69 A A H <5S+ 0 0 8 -4,-1.9 -2,-0.2 3,-0.2 -1,-0.2 0.877 112.7 47.8 -67.0 -38.2 19.5 69.0 -13.1 62 70 A L H <5S+ 0 0 0 -4,-2.5 -2,-0.2 -5,-0.2 -3,-0.2 0.979 114.7 42.5 -64.8 -58.2 17.2 67.3 -10.7 63 71 A L H <5S- 0 0 2 -4,-2.8 79,-2.0 -5,-0.1 80,-0.3 0.846 114.5-115.0 -61.4 -37.0 15.1 70.3 -9.7 64 72 A G T <5 - 0 0 2 -4,-1.8 77,-1.8 -5,-0.2 -3,-0.2 0.842 33.5-169.3 98.6 46.7 14.9 71.6 -13.3 65 73 A D > < - 0 0 1 -5,-2.2 3,-3.7 75,-0.2 4,-0.2 -0.532 36.0-117.2 -58.6 123.9 16.8 74.8 -13.4 66 74 A P G > S+ 0 0 21 0, 0.0 3,-1.9 0, 0.0 4,-0.2 0.814 113.5 53.2 -40.1 -47.3 15.8 76.1 -17.0 67 75 A H G 3 S+ 0 0 60 1,-0.3 3,-0.2 2,-0.1 -12,-0.2 0.559 107.5 54.4 -70.7 -5.4 19.4 76.0 -18.3 68 76 A c G X S+ 0 0 1 -3,-3.7 3,-1.8 -8,-0.2 -1,-0.3 0.147 72.1 110.0-106.8 15.5 19.7 72.4 -17.1 69 77 A D G X + 0 0 48 -3,-1.9 3,-2.1 1,-0.3 -1,-0.1 0.800 63.0 73.2 -62.9 -29.1 16.6 71.2 -19.0 70 78 A V G 3 S+ 0 0 112 1,-0.3 -1,-0.3 -3,-0.2 -2,-0.1 0.721 88.7 64.2 -55.6 -21.3 18.8 69.3 -21.4 71 79 A F G X + 0 0 12 -3,-1.8 3,-2.1 -18,-0.1 -1,-0.3 0.413 69.5 134.5 -87.6 3.0 19.4 66.8 -18.6 72 80 A Q T < S- 0 0 88 -3,-2.1 39,-0.1 1,-0.3 -10,-0.1 -0.278 82.8 -2.6 -55.7 132.5 15.7 65.6 -18.3 73 81 A N T 3 S+ 0 0 89 37,-0.9 38,-0.3 1,-0.2 -1,-0.3 0.585 98.0 153.4 60.7 15.0 15.5 61.8 -18.0 74 82 A E < - 0 0 55 -3,-2.1 36,-2.7 36,-0.2 37,-0.3 -0.256 27.1-159.1 -73.0 162.3 19.2 61.5 -18.4 75 83 A T B +N 109 0H 54 34,-0.2 2,-0.3 35,-0.1 34,-0.2 -0.922 10.8 177.1-136.8 160.7 21.3 58.6 -17.0 76 84 A W - 0 0 4 32,-1.9 3,-0.2 -2,-0.3 -26,-0.2 -0.992 38.3-152.2-159.0 154.4 24.9 58.0 -16.1 77 85 A D S S+ 0 0 39 -28,-2.5 181,-2.0 1,-0.3 2,-0.4 0.760 104.5 15.4 -87.9 -42.6 27.5 55.7 -14.7 78 86 A L E S-lm 50 258G 0 -29,-2.4 -27,-2.5 179,-0.2 2,-0.6 -0.969 70.8-156.7-134.6 119.4 29.5 58.8 -13.6 79 87 A F E -lm 51 259G 0 179,-2.1 181,-2.6 -2,-0.4 2,-0.7 -0.838 15.1-151.2 -90.7 123.4 28.1 62.3 -13.4 80 88 A V E -lm 52 260G 0 -29,-2.7 -27,-2.5 -2,-0.6 2,-0.5 -0.872 4.4-156.2-101.9 114.3 30.9 64.9 -13.7 81 89 A E E - m 0 261G 13 179,-2.6 181,-1.7 -2,-0.7 2,-0.3 -0.790 11.0-145.5 -89.8 126.3 30.3 68.3 -12.0 82 90 A R > - 0 0 31 -2,-0.5 3,-1.6 -28,-0.4 181,-0.1 -0.654 15.3-129.2 -91.8 147.0 32.3 71.2 -13.3 83 91 A S T 3 S+ 0 0 87 1,-0.3 -1,-0.1 -2,-0.3 180,-0.1 0.707 107.1 60.2 -69.2 -19.8 33.5 74.0 -11.1 84 92 A K T 3 S+ 0 0 174 -30,-0.2 -1,-0.3 -28,-0.1 179,-0.0 0.287 76.8 125.1 -92.9 12.2 32.0 76.6 -13.4 85 93 A A < - 0 0 23 -3,-1.6 2,-0.3 -29,-0.1 -29,-0.2 -0.323 40.4-173.7 -62.9 150.9 28.5 75.2 -12.9 86 94 A F - 0 0 90 -31,-2.2 2,-0.3 -29,-0.1 -29,-0.2 -0.989 24.7-122.9-148.5 154.1 26.0 77.8 -11.7 87 95 A S + 0 0 38 -2,-0.3 -31,-0.0 -31,-0.1 -27,-0.0 -0.754 25.8 171.8 -95.5 147.0 22.4 78.1 -10.5 88 96 A N + 0 0 78 -2,-0.3 44,-0.2 2,-0.1 2,-0.1 0.006 51.8 71.1-148.4 33.2 20.1 80.5 -12.4 89 97 A d S S- 0 0 1 1,-0.3 43,-0.1 42,-0.1 -24,-0.1 -0.250 98.9 -26.3-125.4-148.1 16.6 79.9 -11.0 90 98 A Y S S- 0 0 7 -2,-0.1 -1,-0.3 41,-0.1 2,-0.2 -0.489 75.8-103.2 -70.2 138.0 14.9 80.7 -7.7 91 99 A P + 0 0 5 0, 0.0 131,-1.5 0, 0.0 2,-0.3 -0.455 57.4 164.7 -65.1 133.4 17.4 80.9 -4.8 92 100 A Y E -o 222 0I 36 129,-0.2 2,-0.3 -2,-0.2 131,-0.2 -0.912 29.7-152.4-143.6 163.4 17.2 77.8 -2.7 93 101 A D E -o 223 0I 21 129,-2.0 131,-2.3 -2,-0.3 601,-0.1 -0.966 9.9-147.9-135.3 156.5 18.9 75.6 -0.1 94 102 A V > - 0 0 11 -2,-0.3 3,-1.1 129,-0.2 4,-0.2 -0.937 16.8-138.0-123.3 105.0 18.7 71.9 0.6 95 103 A P T 3 S+ 0 0 50 0, 0.0 5,-0.1 0, 0.0 -2,-0.0 -0.460 99.3 13.2 -56.6 130.0 19.1 70.9 4.2 96 104 A D T 3> S+ 0 0 84 -2,-0.1 4,-1.5 3,-0.1 3,-0.4 0.950 81.8 168.9 59.1 49.6 21.4 67.8 4.0 97 105 A Y H <> + 0 0 69 -3,-1.1 4,-2.7 1,-0.2 5,-0.2 0.895 69.6 62.2 -53.7 -46.2 22.3 68.7 0.4 98 106 A A H > S+ 0 0 38 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.851 103.8 48.1 -52.3 -40.5 25.1 66.2 0.5 99 107 A S H > S+ 0 0 2 -3,-0.4 4,-3.1 2,-0.2 5,-0.2 0.901 111.2 47.7 -72.2 -43.5 22.7 63.3 1.1 100 108 A L H X S+ 0 0 0 -4,-1.5 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