==== 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 16-SEP-02 1MQM . COMPND 2 MOLECULE: HEMAGGLUTININ HA1 CHAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: INFLUENZA A VIRUS; . AUTHOR Y.HA,D.J.STEVEN,J.J.SKEHEL,D.C.WILEY . 1470 6 18 15 3 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 55001.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 947 64.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 76 5.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 287 19.5 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 . 24 1.6 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 . 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 . 140 9.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 84 5.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 297 20.2 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+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 4 2 0 0 0 0 0 0 3 0 0 0 0 0 0 0 0 0 0 3 RESIDUES PER ALPHA HELIX . 7 10 4 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 . 14 13 19 7 3 8 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 . 13 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 0 105 0, 0.0 2,-0.3 0, 0.0 461,-0.2 0.000 360.0 360.0 360.0 -52.7 34.4 41.6 180.3 2 10 A T - 0 0 54 458,-0.1 2,-0.3 459,-0.1 458,-0.2 -0.824 360.0-150.5-121.5 162.5 36.1 40.2 177.2 3 11 A A E -A 459 0A 1 456,-2.7 456,-1.8 -2,-0.3 2,-0.4 -0.833 5.7-141.4-128.3 166.3 36.4 41.4 173.6 4 12 A T E -A 458 0A 26 342,-0.4 342,-1.1 -2,-0.3 2,-0.5 -0.983 12.0-172.1-135.2 123.7 36.8 39.7 170.3 5 13 A L E -AB 457 345A 0 452,-3.0 452,-3.8 -2,-0.4 2,-0.4 -0.961 7.7-165.4-119.6 119.2 38.9 41.0 167.4 6 14 A a E -AB 456 344A 28 338,-4.1 338,-1.9 -2,-0.5 2,-0.4 -0.876 7.2-150.7-108.4 132.8 38.7 39.3 164.0 7 15 A L E + B 0 343A 4 448,-3.1 2,-0.3 -2,-0.4 336,-0.2 -0.801 30.9 148.6 -99.0 138.0 41.1 39.7 161.1 8 16 A G E - B 0 342A 0 334,-3.0 334,-2.0 -2,-0.4 2,-0.3 -0.855 35.3-129.2-152.4-173.3 40.0 39.4 157.6 9 17 A H E - B 0 341A 0 322,-0.3 324,-2.1 332,-0.3 332,-0.3 -0.916 34.3 -99.0-140.6 162.3 40.2 40.3 153.9 10 18 A H B -e 333 0B 22 330,-2.5 305,-0.4 -2,-0.3 2,-0.3 -0.224 26.5-167.2 -83.0 174.7 37.7 41.5 151.4 11 19 A A - 0 0 3 322,-1.0 303,-0.1 325,-0.3 325,-0.1 -0.914 15.9-130.5-150.2 163.9 35.8 39.7 148.6 12 20 A V - 0 0 36 -2,-0.3 3,-0.2 1,-0.1 322,-0.1 -0.856 18.2-118.4-124.1 160.8 33.8 41.0 145.7 13 21 A P S S+ 0 0 121 0, 0.0 2,-0.6 0, 0.0 -1,-0.1 0.989 106.6 18.1 -55.6 -66.6 30.3 40.2 144.3 14 22 A N S S- 0 0 85 15,-0.1 -3,-0.0 -3,-0.1 0, 0.0 -0.944 82.8-173.6-112.6 113.1 31.5 39.0 140.9 15 23 A G - 0 0 20 -2,-0.6 2,-0.3 -3,-0.2 14,-0.2 0.169 23.2-101.9 -85.4-153.0 35.1 38.1 140.7 16 24 A T E -F 28 0C 41 12,-2.4 12,-3.2 14,-0.1 2,-0.3 -0.990 22.3-126.8-141.7 128.8 37.4 37.1 137.8 17 25 A I E +F 27 0C 93 -2,-0.3 2,-0.3 10,-0.3 10,-0.3 -0.552 34.9 172.0 -78.5 136.8 38.6 33.7 136.7 18 26 A V E -F 26 0C 2 8,-3.4 8,-2.0 -2,-0.3 2,-0.4 -0.902 28.0-119.4-139.0 164.5 42.3 33.3 136.2 19 27 A K + 0 0 71 288,-0.4 404,-0.3 -2,-0.3 5,-0.2 -0.894 32.4 166.8-111.1 138.4 44.8 30.5 135.6 20 28 A T - 0 0 1 3,-3.2 401,-0.2 -2,-0.4 400,-0.1 -0.383 52.7 -84.8-126.4-154.9 47.7 29.5 137.9 21 29 A I S S+ 0 0 17 399,-0.4 844,-0.2 -2,-0.1 400,-0.1 0.731 128.8 33.7 -91.0 -24.6 50.1 26.6 138.2 22 30 A T S S+ 0 0 5 398,-0.2 2,-0.3 1,-0.2 840,-0.2 0.300 123.0 43.0-112.3 8.5 47.6 24.5 140.2 23 31 A D - 0 0 34 838,-0.1 -3,-3.2 839,-0.1 3,-0.2 -0.980 45.5-167.1-152.8 137.1 44.4 25.7 138.6 24 32 A D S S+ 0 0 79 -2,-0.3 2,-0.3 1,-0.3 -1,-0.1 0.516 97.9 34.4 -96.0 -7.8 43.3 26.3 135.0 25 33 A Q S S+ 0 0 125 -3,-0.1 2,-0.3 -8,-0.0 -1,-0.3 -0.881 71.2 141.1-147.7 110.3 40.3 28.0 136.7 26 34 A I E -F 18 0C 16 -8,-2.0 -8,-3.4 -2,-0.3 2,-0.5 -0.982 41.6-123.3-150.0 140.4 40.4 29.9 139.9 27 35 A E E +F 17 0C 64 -2,-0.3 287,-2.3 -10,-0.3 2,-0.3 -0.744 26.8 179.3 -93.4 128.4 38.6 33.1 140.9 28 36 A V E -FG 16 313C 0 -12,-3.2 -12,-2.4 -2,-0.5 285,-0.2 -0.858 39.2-114.2-121.0 157.5 40.3 36.3 142.1 29 37 A T S S+ 0 0 17 283,-2.5 2,-0.3 -2,-0.3 284,-0.1 0.812 94.4 3.2 -61.1 -31.5 38.9 39.7 143.1 30 38 A N + 0 0 84 282,-0.4 280,-3.1 -14,-0.1 281,-0.8 -0.998 61.2 166.7-157.0 153.7 40.5 41.4 140.1 31 39 A A E -H 309 0D 16 -2,-0.3 2,-0.3 278,-0.3 278,-0.2 -0.955 21.4-133.5-156.7 169.9 42.6 40.9 137.0 32 40 A T E -H 308 0D 48 276,-2.2 276,-3.1 -2,-0.3 2,-0.3 -0.967 26.3-108.7-134.1 149.0 43.7 42.7 133.8 33 41 A E E -H 307 0D 35 -2,-0.3 274,-0.2 274,-0.2 3,-0.0 -0.605 24.2-177.6 -80.9 131.9 43.9 41.6 130.2 34 42 A L + 0 0 3 272,-3.0 252,-2.5 -2,-0.3 2,-0.7 0.546 63.7 78.4-102.9 -9.6 47.3 41.0 128.6 35 43 A V E -i 286 0E 1 271,-0.4 2,-0.6 250,-0.2 252,-0.3 -0.859 69.1-148.1-108.6 107.5 46.1 40.1 125.1 36 44 A Q E +i 287 0E 16 250,-3.8 252,-2.9 -2,-0.7 253,-0.5 -0.587 30.1 164.2 -66.5 116.6 45.2 43.0 122.9 37 45 A S + 0 0 69 -2,-0.6 2,-0.4 250,-0.2 -1,-0.2 0.441 44.0 70.3-119.0 0.1 42.4 41.4 120.8 38 46 A S - 0 0 87 243,-0.1 2,-0.3 2,-0.0 251,-0.1 -0.925 53.6-162.4-126.9 148.5 40.6 44.2 119.1 39 47 A S - 0 0 36 -2,-0.4 241,-0.2 241,-0.1 239,-0.1 -0.889 27.9-131.9-122.5 152.0 41.3 46.8 116.4 40 48 A T - 0 0 105 239,-1.0 238,-0.1 -2,-0.3 3,-0.1 0.795 48.7-121.9 -70.1 -26.6 39.7 50.1 115.5 41 49 A G S S+ 0 0 32 238,-0.5 2,-0.3 1,-0.3 237,-0.1 0.455 79.9 90.0 97.7 3.8 39.7 48.8 112.0 42 50 A K S S- 0 0 29 237,-0.2 237,-3.7 222,-0.2 2,-0.7 -0.930 74.1-122.4-133.3 156.9 41.7 51.7 110.6 43 51 A I - 0 0 0 222,-2.9 224,-0.2 -2,-0.3 2,-0.1 -0.872 31.9-126.5-101.4 111.8 45.3 52.6 110.1 44 52 A b - 0 0 8 -2,-0.7 224,-0.2 229,-0.2 4,-0.2 -0.351 13.3-131.5 -59.0 125.0 46.3 55.7 111.9 45 53 A N > + 0 0 55 222,-2.5 5,-0.5 -2,-0.1 -1,-0.2 0.611 69.3 130.0 -55.0 -8.2 48.0 58.1 109.5 46 54 A N B 5 -k 270 0F 65 223,-0.6 225,-1.5 3,-0.1 -1,-0.1 -0.960 60.4 -20.5-175.0 169.9 50.7 58.4 112.1 47 55 A P T 5S+ 0 0 59 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.879 118.7 72.4 155.5 -51.1 54.0 58.6 113.7 48 56 A H T 5S- 0 0 13 223,-0.2 2,-0.8 -4,-0.2 223,-0.1 -0.469 93.1-122.4 -76.2 126.4 54.7 56.6 110.5 49 57 A R T 5 - 0 0 55 -2,-0.3 28,-3.5 -3,-0.1 29,-2.2 -0.518 39.8-163.0 -64.7 108.0 54.7 58.2 107.1 50 58 A I E < -l 78 0G 27 -2,-0.8 2,-0.4 -5,-0.5 29,-0.2 -0.781 13.5-168.4-102.6 145.2 52.0 56.1 105.4 51 59 A L E -l 79 0G 22 27,-1.8 29,-2.5 -2,-0.3 2,-0.6 -0.966 14.1-143.8-135.3 115.3 51.4 55.9 101.7 52 60 A D E -l 80 0G 22 -2,-0.4 3,-0.2 27,-0.2 29,-0.1 -0.669 1.0-155.9 -82.2 118.5 48.3 54.3 100.2 53 61 A G > - 0 0 0 27,-2.6 2,-3.8 -2,-0.6 3,-2.2 0.811 22.0-175.7 -61.2 -28.1 49.1 52.4 97.0 54 62 A R T 3 S- 0 0 177 26,-0.5 -1,-0.2 1,-0.3 30,-0.1 -0.191 77.1 -15.4 63.3 -53.4 45.4 52.9 96.1 55 63 A A T 3 S+ 0 0 25 -2,-3.8 31,-1.7 -3,-0.2 2,-0.5 0.201 120.3 94.8-160.4 7.2 45.6 50.9 92.9 56 64 A c < - 0 0 2 -3,-2.2 26,-0.2 29,-0.2 2,-0.2 -0.936 63.3-141.2-117.5 131.1 49.3 50.7 92.5 57 65 A T > - 0 0 22 -2,-0.5 4,-2.0 29,-0.2 5,-0.2 -0.521 34.0-112.1 -76.9 151.9 51.6 47.9 93.6 58 66 A L H > S+ 0 0 0 1,-0.2 4,-2.0 2,-0.2 -1,-0.1 0.895 119.8 52.3 -54.4 -38.4 54.9 49.2 94.9 59 67 A I H > S+ 0 0 0 2,-0.2 4,-3.2 1,-0.2 5,-0.3 0.958 106.1 49.4 -61.6 -56.0 56.5 47.5 91.8 60 68 A D H >>S+ 0 0 0 1,-0.3 5,-2.7 2,-0.2 4,-2.3 0.850 112.9 50.2 -52.8 -35.7 54.2 49.2 89.2 61 69 A A H <5S+ 0 0 6 -4,-2.0 -1,-0.3 3,-0.2 -2,-0.2 0.889 111.2 48.3 -68.9 -41.1 55.0 52.5 90.9 62 70 A L H <5S+ 0 0 2 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.920 115.2 44.1 -64.1 -45.4 58.7 51.7 90.7 63 71 A L H <5S- 0 0 1 -4,-3.2 79,-1.9 -5,-0.1 80,-0.3 0.855 115.3-115.4 -68.6 -39.0 58.5 50.7 87.0 64 72 A G T <5 - 0 0 0 -4,-2.3 77,-1.9 -5,-0.3 -3,-0.2 0.786 35.9-171.6 105.9 36.2 56.3 53.7 86.2 65 73 A D > < - 0 0 0 -5,-2.7 3,-2.9 75,-0.2 4,-0.2 -0.411 37.2-113.6 -57.8 131.3 53.0 52.2 85.1 66 74 A P G > S+ 0 0 22 0, 0.0 3,-2.2 0, 0.0 4,-0.2 0.842 114.7 48.7 -35.6 -59.4 51.1 55.2 83.8 67 75 A H G 3 S+ 0 0 53 1,-0.3 3,-0.2 2,-0.1 -2,-0.1 0.532 110.8 57.0 -67.3 1.3 48.3 55.3 86.4 68 76 A c G X S+ 0 0 1 -3,-2.9 3,-1.8 -8,-0.2 -1,-0.3 0.290 71.2 100.0-111.6 6.7 51.1 55.0 88.9 69 77 A D G X + 0 0 34 -3,-2.2 3,-1.8 1,-0.3 -1,-0.1 0.715 68.2 75.2 -67.6 -15.9 53.1 58.1 87.9 70 78 A V G 3 S+ 0 0 122 1,-0.3 -1,-0.3 -4,-0.2 -2,-0.1 0.743 89.7 59.3 -65.5 -21.6 51.5 59.9 90.8 71 79 A F G X S+ 0 0 15 -3,-1.8 3,-2.9 2,-0.1 -1,-0.3 0.452 74.2 141.6 -87.4 1.8 53.8 57.9 93.1 72 80 A Q T < S- 0 0 80 -3,-1.8 39,-0.1 1,-0.3 -10,-0.1 -0.212 81.7 -7.9 -51.5 117.2 56.9 59.3 91.3 73 81 A N T 3 S+ 0 0 74 37,-0.5 -1,-0.3 1,-0.2 38,-0.3 0.622 94.8 156.1 70.4 16.2 59.6 59.9 93.9 74 82 A E < - 0 0 75 -3,-2.9 36,-2.0 36,-0.2 2,-0.3 -0.236 26.3-155.1 -67.9 161.8 57.2 59.2 96.8 75 83 A T B -N 109 0H 64 34,-0.2 2,-0.3 35,-0.1 34,-0.2 -0.800 12.4-177.4-129.0 173.9 58.7 58.1 100.1 76 84 A W - 0 0 5 32,-1.9 3,-0.2 -2,-0.3 -26,-0.2 -0.934 39.0-155.7-173.5 147.8 57.2 56.1 103.0 77 85 A D S S+ 0 0 43 -28,-3.5 181,-1.0 1,-0.3 2,-0.3 0.790 105.0 13.6 -89.6 -37.4 57.6 54.6 106.4 78 86 A L E S-lm 50 258G 0 -29,-2.2 -27,-1.8 179,-0.2 -1,-0.3 -0.884 71.1-155.7-144.5 110.3 55.0 52.1 105.4 79 87 A F E -lm 51 259G 0 179,-2.7 181,-2.3 -2,-0.3 2,-0.6 -0.617 13.9-152.5 -81.1 138.7 53.6 51.4 101.9 80 88 A V E -lm 52 260G 0 -29,-2.5 -27,-2.6 -2,-0.3 -26,-0.5 -0.904 4.5-158.6-118.8 104.9 50.1 49.9 101.9 81 89 A E E - m 0 261G 16 179,-2.7 181,-1.5 -2,-0.6 2,-0.2 -0.683 12.4-142.0 -86.1 128.5 49.2 47.7 98.9 82 90 A R > - 0 0 28 -2,-0.4 3,-1.6 -26,-0.2 181,-0.1 -0.607 13.9-128.2 -89.4 148.4 45.5 47.3 98.2 83 91 A S T 3 S+ 0 0 97 1,-0.3 -1,-0.1 -2,-0.2 180,-0.1 0.665 107.5 54.7 -68.1 -16.7 43.9 44.0 97.1 84 92 A N T 3 S+ 0 0 111 -30,-0.1 -1,-0.3 2,-0.1 179,-0.0 0.265 77.3 126.0-101.3 11.7 42.2 45.7 94.1 85 93 A A < - 0 0 28 -3,-1.6 2,-0.3 -29,-0.1 -29,-0.2 -0.336 40.8-170.5 -64.8 153.3 45.3 47.2 92.7 86 94 A F - 0 0 100 -31,-1.7 2,-0.4 -29,-0.0 -29,-0.2 -0.940 22.2-127.3-144.2 164.0 45.9 46.4 89.0 87 95 A S + 0 0 35 -2,-0.3 -31,-0.0 -31,-0.1 0, 0.0 -0.934 25.2 168.4-113.5 135.6 48.5 46.6 86.3 88 96 A N + 0 0 57 -2,-0.4 44,-0.2 2,-0.1 2,-0.1 0.167 49.5 86.1-135.5 23.1 47.6 48.2 83.0 89 97 A d S S- 0 0 2 1,-0.2 42,-0.1 42,-0.1 3,-0.1 -0.206 93.6 -36.3-103.4-162.0 50.9 48.7 81.2 90 98 A Y S S- 0 0 2 1,-0.1 -1,-0.2 41,-0.1 132,-0.1 -0.370 75.0 -93.9 -63.6 134.3 52.9 46.3 79.1 91 99 A P + 0 0 5 0, 0.0 131,-1.0 0, 0.0 2,-0.3 -0.212 58.6 176.4 -48.9 119.2 52.9 42.6 80.1 92 100 A Y E -o 222 0I 48 129,-0.2 2,-0.3 -3,-0.1 131,-0.2 -0.843 24.0-161.3-128.8 168.8 55.9 42.0 82.4 93 101 A D E -o 223 0I 32 129,-2.6 131,-2.3 -2,-0.3 600,-0.1 -0.980 6.8-157.3-149.2 130.6 57.5 39.3 84.5 94 102 A I > - 0 0 12 -2,-0.3 3,-1.3 129,-0.2 2,-0.4 -0.923 14.0-140.4-118.6 112.7 60.1 39.7 87.3 95 103 A P T 3 S+ 0 0 55 0, 0.0 -2,-0.0 0, 0.0 128,-0.0 -0.559 98.2 10.7 -67.7 123.9 62.4 36.8 88.3 96 104 A D T 3> S+ 0 0 88 -2,-0.4 4,-1.7 3,-0.1 3,-0.3 0.882 79.3 166.9 71.7 41.9 62.5 37.1 92.1 97 105 A Y H <> S+ 0 0 76 -3,-1.3 4,-2.8 1,-0.2 5,-0.3 0.893 72.0 59.6 -49.8 -47.8 59.7 39.6 92.2 98 106 A A H > S+ 0 0 33 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.914 103.8 49.4 -50.1 -51.4 59.5 39.1 96.0 99 107 A S H > S+ 0 0 0 -3,-0.3 4,-2.7 2,-0.2 5,-0.2 0.891 112.1 46.7 -59.8 -42.4 63.1 40.2 96.5 100 108 A L H X S+ 0 0 0 -4,-1.7 4,-2.2 2,-0.2 5,-0.3 0.940 111.2 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