==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=2-AUG-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER IMMUNE SYSTEM 22-MAY-13 4KVN . COMPND 2 MOLECULE: HEMAGGLUTININ; . SOURCE 2 ORGANISM_SCIENTIFIC: INFLUENZA A VIRUS; . AUTHOR R.FONG,L.R.SWEM,P.J.LUPARDUS . 899 7 10 8 2 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 40764.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 564 62.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 35 3.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 253 28.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 6 0.7 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 . 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 . 96 10.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 48 5.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 105 11.7 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 1 0 2 0 3 0 0 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 RESIDUES PER ALPHA HELIX . 0 4 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 13 3 7 8 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 . 5 3 6 1 1 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 27 A A 0 0 47 0, 0.0 439,-0.9 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 -21.4 -57.7 82.7 -19.2 2 28 A T E -AB 336 439A 36 334,-1.6 334,-1.6 437,-0.2 2,-0.6 -0.965 360.0-169.1-131.1 110.2 -56.0 81.7 -22.6 3 29 A L E -AB 335 438A 2 435,-1.3 435,-1.7 -2,-0.4 2,-0.3 -0.913 8.0-165.1-106.0 112.1 -55.6 78.0 -23.4 4 30 A a E -AB 334 437A 20 330,-3.3 330,-2.2 -2,-0.6 2,-0.5 -0.768 7.5-152.9 -99.7 141.0 -53.3 77.2 -26.5 5 31 A L E +A 333 0A 0 431,-2.0 316,-0.3 -2,-0.3 328,-0.2 -0.941 32.8 139.8-120.3 109.1 -53.1 73.8 -28.3 6 32 A G E -A 332 0A 0 326,-1.4 326,-1.7 -2,-0.5 2,-0.2 -0.425 32.3-131.5-127.2-161.8 -49.8 72.9 -30.1 7 33 A H E -Ac 331 322A 3 314,-2.1 316,-2.8 324,-0.3 324,-0.3 -0.872 35.3 -65.6-149.5 178.2 -47.4 70.1 -30.8 8 34 A H E + c 0 323A 4 322,-1.9 305,-0.3 -2,-0.2 2,-0.3 -0.336 46.6 179.3 -72.1 152.9 -43.7 69.0 -30.9 9 35 A A - 0 0 3 314,-0.8 3,-0.1 317,-0.5 303,-0.1 -0.981 16.8-153.6-153.5 153.0 -41.1 70.6 -33.2 10 36 A V - 0 0 30 -2,-0.3 3,-0.2 1,-0.2 314,-0.1 -0.932 26.5-123.2-125.8 149.1 -37.4 70.3 -34.0 11 37 A P S S+ 0 0 85 0, 0.0 2,-0.5 0, 0.0 -1,-0.2 0.987 103.4 14.5 -56.5 -59.2 -35.1 73.1 -35.4 12 38 A N S S- 0 0 137 -3,-0.1 2,-0.2 15,-0.1 -3,-0.0 -0.976 83.0-175.5-118.8 123.1 -34.0 71.0 -38.4 13 39 A G - 0 0 21 -2,-0.5 2,-0.4 -3,-0.2 14,-0.2 -0.441 31.0 -85.0-104.1-177.0 -36.0 67.8 -39.2 14 40 A T E -F 26 0B 49 12,-2.3 12,-2.8 -2,-0.2 2,-0.6 -0.781 34.9-130.7 -95.4 135.5 -35.8 64.9 -41.7 15 41 A I E +F 25 0B 79 -2,-0.4 10,-0.2 10,-0.2 2,-0.2 -0.745 36.2 170.6 -89.9 123.2 -37.2 65.3 -45.2 16 42 A V E -F 24 0B 5 8,-2.9 8,-1.5 -2,-0.6 2,-0.4 -0.601 27.7-113.9-121.6-179.4 -39.3 62.4 -46.2 17 43 A K + 0 0 92 288,-0.5 387,-0.2 -2,-0.2 5,-0.2 -0.942 27.7 170.3-121.4 144.9 -41.7 61.3 -49.1 18 44 A T - 0 0 12 3,-3.0 384,-0.2 -2,-0.4 383,-0.1 -0.580 52.4 -88.1-129.2-170.2 -45.5 60.6 -49.0 19 45 A I S S+ 0 0 98 382,-0.5 383,-0.1 -2,-0.2 3,-0.1 0.882 128.7 29.9 -73.3 -40.7 -48.1 60.0 -51.8 20 46 A T S S+ 0 0 118 381,-0.1 2,-0.4 1,-0.1 -1,-0.2 0.458 120.9 57.1 -98.4 -3.5 -48.9 63.8 -52.2 21 47 A N - 0 0 62 1,-0.1 -3,-3.0 380,-0.1 3,-0.2 -0.967 45.2-177.2-139.3 124.6 -45.4 65.0 -51.2 22 48 A D S S+ 0 0 112 -2,-0.4 2,-0.3 1,-0.3 -1,-0.1 0.638 90.8 31.6 -85.2 -18.4 -42.0 64.3 -52.6 23 49 A Q S S+ 0 0 129 2,-0.0 2,-0.3 -6,-0.0 -1,-0.3 -0.932 72.0 153.3-142.4 111.3 -40.3 66.6 -49.9 24 50 A I E -F 16 0B 15 -8,-1.5 -8,-2.9 -2,-0.3 2,-0.3 -0.921 36.1-132.8-146.6 117.6 -41.9 66.8 -46.4 25 51 A E E -F 15 0B 66 -2,-0.3 287,-2.4 -10,-0.2 2,-0.3 -0.547 27.3-177.1 -75.7 128.7 -40.0 67.6 -43.2 26 52 A V E -FG 14 311B 0 -12,-2.8 -12,-2.3 285,-0.3 285,-0.3 -0.884 34.1-121.3-123.9 154.6 -40.8 65.4 -40.2 27 53 A T S S+ 0 0 11 283,-3.1 2,-0.3 -2,-0.3 284,-0.1 0.865 93.2 8.9 -62.5 -43.2 -39.6 65.4 -36.5 28 54 A N + 0 0 48 282,-0.2 280,-2.4 -14,-0.1 2,-0.3 -0.985 66.1 170.0-144.3 149.4 -38.1 61.9 -36.5 29 55 A A E -H 307 0C 24 -2,-0.3 2,-0.3 278,-0.3 278,-0.2 -0.945 16.8-142.2-151.1 168.3 -37.3 59.2 -39.1 30 56 A T E -H 306 0C 46 276,-2.2 276,-3.2 -2,-0.3 2,-0.3 -0.957 22.8-111.5-138.0 154.3 -35.5 55.9 -39.6 31 57 A E E -H 305 0C 48 -2,-0.3 274,-0.2 274,-0.2 272,-0.1 -0.650 21.5-179.5 -87.5 141.9 -33.5 54.2 -42.3 32 58 A L + 0 0 0 272,-1.2 252,-2.0 -2,-0.3 2,-0.4 0.378 63.8 77.2-117.6 -1.7 -34.8 51.2 -44.2 33 59 A V E S-i 284 0D 2 271,-0.2 2,-0.8 250,-0.1 252,-0.3 -0.956 71.0-140.5-117.4 123.9 -31.8 50.7 -46.6 34 60 A Q E +i 285 0D 17 250,-2.0 252,-2.5 -2,-0.4 253,-1.0 -0.715 35.5 156.8 -81.3 107.8 -28.4 49.1 -45.4 35 61 A S + 0 0 76 -2,-0.8 2,-0.2 250,-0.2 -1,-0.2 0.713 50.3 68.5-102.6 -27.1 -25.7 51.1 -47.2 36 62 A S + 0 0 82 3,-0.0 2,-0.3 2,-0.0 251,-0.1 -0.635 52.2 179.1-100.0 152.7 -22.7 50.5 -44.9 37 63 A S - 0 0 40 -2,-0.2 241,-0.1 241,-0.1 239,-0.0 -0.983 35.5-127.6-148.2 145.6 -20.6 47.3 -44.2 38 64 A T - 0 0 122 239,-0.6 238,-0.1 -2,-0.3 3,-0.1 0.857 50.2-118.1 -58.4 -38.4 -17.6 46.6 -42.0 39 65 A G S S+ 0 0 31 238,-0.4 2,-0.3 1,-0.3 237,-0.3 0.648 78.8 100.4 101.3 26.5 -15.7 45.1 -45.0 40 66 A E - 0 0 72 237,-0.3 237,-2.4 222,-0.2 -1,-0.3 -0.994 67.7-128.8-146.3 136.6 -15.4 41.6 -43.7 41 67 A I E -k 264 0E 1 222,-1.8 224,-3.0 -2,-0.3 2,-0.3 -0.638 30.9-132.4 -78.0 134.7 -17.2 38.3 -44.2 42 68 A b E -k 265 0E 11 -2,-0.3 4,-0.3 222,-0.2 224,-0.2 -0.744 2.1-145.2 -91.6 141.3 -18.1 36.7 -40.8 43 69 A D E > + 0 0 61 222,-1.9 3,-0.7 -2,-0.3 -1,-0.2 0.993 64.1 106.7 -67.5 -57.1 -17.4 32.9 -40.2 44 70 A S E 3 S+k 268 0E 40 223,-1.8 225,-2.2 1,-0.3 -2,-0.1 -0.339 81.9 3.4 -70.0 141.6 -20.5 32.3 -38.1 45 71 A P T 3 S+ 0 0 64 0, 0.0 -1,-0.3 0, 0.0 2,-0.3 -0.955 119.1 62.9 -98.8 8.1 -23.1 30.8 -38.8 46 72 A H S < S- 0 0 26 -3,-0.7 2,-0.7 223,-0.3 223,-0.0 -0.673 81.2-112.8 -99.8 147.2 -22.0 29.6 -42.3 47 73 A Q - 0 0 108 -2,-0.3 29,-2.6 -3,-0.0 28,-2.5 -0.661 38.0-165.3 -78.9 111.9 -19.2 27.3 -43.4 48 74 A I E -l 76 0F 34 -2,-0.7 2,-0.6 27,-0.2 29,-0.2 -0.897 11.0-166.9-103.1 129.3 -16.8 29.6 -45.3 49 75 A L E -l 77 0F 25 27,-1.9 29,-3.0 -2,-0.5 2,-0.9 -0.945 12.5-150.8-117.6 103.6 -14.1 28.1 -47.5 50 76 A D E -l 78 0F 37 -2,-0.6 29,-0.2 27,-0.2 4,-0.1 -0.707 3.3-161.7 -78.0 103.7 -11.5 30.7 -48.5 51 77 A G > + 0 0 0 27,-2.7 3,-2.5 -2,-0.9 -1,-0.2 0.717 23.5 174.0 -56.3 -27.3 -10.2 29.6 -51.9 52 78 A K T 3 S- 0 0 129 26,-0.4 28,-0.5 1,-0.3 -1,-0.2 -0.312 73.4 -1.8 53.4-123.4 -7.1 31.9 -51.5 53 79 A N T 3 S+ 0 0 66 30,-0.1 31,-1.6 12,-0.1 2,-0.3 0.417 126.7 87.4 -74.1 2.4 -4.7 31.2 -54.4 54 80 A c < - 0 0 2 -3,-2.5 26,-0.4 29,-0.2 2,-0.2 -0.845 64.0-149.2-111.0 145.5 -7.2 28.5 -55.7 55 81 A T > - 0 0 20 -2,-0.3 4,-2.2 29,-0.2 5,-0.2 -0.626 34.6-112.4 -97.6 158.6 -10.3 28.5 -57.9 56 82 A L H > S+ 0 0 0 -2,-0.2 4,-1.8 1,-0.2 -1,-0.1 0.883 120.3 51.1 -62.2 -37.6 -13.0 25.9 -57.2 57 83 A I H > S+ 0 0 0 2,-0.2 4,-3.2 1,-0.2 5,-0.2 0.885 110.3 49.8 -66.4 -37.6 -12.3 24.1 -60.5 58 84 A D H >>S+ 0 0 0 1,-0.2 5,-2.3 2,-0.2 4,-1.8 0.853 111.9 47.7 -67.6 -37.0 -8.5 24.0 -59.5 59 85 A A H <5S+ 0 0 7 -4,-2.2 -2,-0.2 3,-0.2 -1,-0.2 0.820 115.4 47.6 -70.3 -31.6 -9.5 22.6 -56.0 60 86 A L H <5S+ 0 0 2 -4,-1.8 -2,-0.2 -5,-0.2 -3,-0.2 0.954 115.1 41.2 -74.1 -53.6 -11.8 20.1 -57.9 61 87 A L H <5S- 0 0 2 -4,-3.2 79,-2.0 78,-0.1 80,-0.2 0.818 116.3-113.2 -65.1 -34.3 -9.2 18.9 -60.6 62 88 A G T <5 - 0 0 2 -4,-1.8 77,-2.5 -5,-0.2 -3,-0.2 0.877 37.2-171.7 98.2 56.2 -6.4 18.8 -57.9 63 89 A D > < - 0 0 2 -5,-2.3 3,-2.5 75,-0.2 -1,-0.1 -0.548 36.0-116.3 -69.5 135.1 -3.8 21.5 -58.7 64 90 A P G > S+ 0 0 17 0, 0.0 3,-2.2 0, 0.0 4,-0.2 0.877 116.4 55.4 -44.3 -47.1 -0.8 20.9 -56.3 65 91 A Q G 3 S+ 0 0 61 1,-0.3 3,-0.3 21,-0.2 -12,-0.1 0.673 108.5 52.1 -58.7 -17.7 -1.4 24.4 -54.6 66 92 A c G X S+ 0 0 1 -3,-2.5 3,-1.2 -8,-0.2 -1,-0.3 0.123 72.1 107.7-105.1 14.5 -5.0 23.2 -53.9 67 93 A D G X S+ 0 0 45 -3,-2.2 3,-1.5 1,-0.2 -1,-0.2 0.817 71.8 65.5 -63.7 -29.0 -4.2 19.8 -52.2 68 94 A G G 3 S+ 0 0 65 -3,-0.3 -1,-0.2 1,-0.3 -2,-0.1 0.689 92.2 63.7 -63.2 -23.0 -5.3 21.3 -48.9 69 95 A F G X S+ 0 0 25 -3,-1.2 3,-1.8 -18,-0.1 -1,-0.3 0.403 72.2 136.5 -83.4 -2.2 -8.8 21.6 -50.2 70 96 A Q T < S- 0 0 71 -3,-1.5 39,-0.2 1,-0.3 -10,-0.1 -0.178 80.6 -7.8 -54.3 136.9 -9.3 17.8 -50.6 71 97 A N T 3 S+ 0 0 70 37,-1.0 38,-0.3 1,-0.2 -1,-0.3 0.533 97.0 151.4 52.2 15.3 -12.7 16.4 -49.4 72 98 A K < - 0 0 108 -3,-1.8 36,-2.3 36,-0.2 37,-0.2 -0.356 30.8-153.1 -74.3 152.7 -13.5 19.9 -47.9 73 99 A K B -N 107 0G 87 34,-0.2 2,-0.3 35,-0.1 34,-0.2 -0.650 12.8-176.6-117.3 171.2 -17.2 21.1 -47.6 74 100 A W - 0 0 5 32,-1.8 3,-0.2 -2,-0.2 -26,-0.2 -0.935 37.4-154.0-168.8 151.9 -18.8 24.6 -47.5 75 101 A D S S+ 0 0 55 -28,-2.5 181,-2.2 1,-0.4 2,-0.4 0.830 103.7 10.2 -91.1 -45.1 -21.9 26.6 -47.2 76 102 A L E S-lm 48 256F 1 -29,-2.6 -27,-1.9 179,-0.2 2,-0.5 -0.995 71.3-149.5-138.7 127.0 -20.2 29.4 -49.3 77 103 A F E -lm 49 257F 0 179,-2.6 181,-2.3 -2,-0.4 2,-0.7 -0.824 15.7-146.5 -92.0 127.2 -16.9 29.1 -51.2 78 104 A V E -lm 50 258F 1 -29,-3.0 -27,-2.7 -2,-0.5 -26,-0.4 -0.898 12.8-161.4-102.9 109.8 -15.0 32.4 -51.4 79 105 A E E - m 0 259F 15 179,-3.2 181,-2.1 -2,-0.7 2,-0.3 -0.805 9.8-141.3 -94.2 128.3 -13.1 32.8 -54.7 80 106 A R > - 0 0 27 -28,-0.5 3,-1.6 -26,-0.4 181,-0.1 -0.706 12.5-135.8 -96.0 142.2 -10.3 35.4 -54.9 81 107 A S T 3 S+ 0 0 96 -2,-0.3 -1,-0.1 1,-0.3 180,-0.1 0.785 106.7 56.6 -62.7 -25.9 -9.5 37.7 -57.9 82 108 A K T 3 S+ 0 0 106 -30,-0.1 -1,-0.3 -28,-0.1 2,-0.1 0.349 79.7 121.0 -91.4 4.2 -5.8 37.0 -57.4 83 109 A A < - 0 0 23 -3,-1.6 2,-0.3 -29,-0.1 -29,-0.2 -0.447 39.6-179.5 -70.5 143.4 -6.2 33.2 -57.7 84 110 A Y - 0 0 116 -31,-1.6 2,-0.3 -2,-0.1 -29,-0.2 -0.930 26.9-113.4-140.8 161.7 -4.2 31.5 -60.4 85 111 A S + 0 0 31 -2,-0.3 -31,-0.0 -31,-0.1 -27,-0.0 -0.713 23.2 178.9 -97.3 149.1 -3.6 28.0 -61.9 86 112 A N + 0 0 79 -2,-0.3 44,-0.4 2,-0.1 2,-0.2 -0.377 55.2 68.7-150.5 57.7 -0.2 26.3 -61.7 87 113 A d S S- 0 0 1 42,-0.2 3,-0.1 -24,-0.1 42,-0.1 -0.796 98.6 -25.9-153.8-172.0 -0.6 22.9 -63.3 88 114 A Y S S- 0 0 12 -2,-0.2 132,-0.1 1,-0.1 -2,-0.1 -0.221 76.8-100.2 -51.0 128.8 -1.1 21.6 -67.0 89 115 A P + 0 0 3 0, 0.0 131,-0.8 0, 0.0 2,-0.3 -0.290 55.6 174.4 -54.6 130.6 -2.8 24.3 -69.2 90 116 A Y E -o 220 0H 41 129,-0.2 2,-0.4 -3,-0.1 131,-0.2 -0.973 26.5-153.9-141.0 157.5 -6.5 23.4 -69.5 91 117 A D E -o 221 0H 69 129,-2.6 131,-2.5 -2,-0.3 128,-0.0 -0.984 8.8-151.1-132.3 139.2 -9.8 24.6 -70.9 92 118 A V - 0 0 15 -2,-0.4 3,-0.5 129,-0.2 2,-0.3 -0.842 11.9-148.2-112.1 93.7 -13.3 23.8 -69.6 93 119 A P S S+ 0 0 49 0, 0.0 -2,-0.0 0, 0.0 128,-0.0 -0.483 95.7 13.4 -59.8 115.8 -15.9 24.0 -72.5 94 120 A D S > S+ 0 0 96 -2,-0.3 4,-0.8 3,-0.1 5,-0.0 0.994 82.8 164.6 71.9 65.5 -18.9 25.1 -70.4 95 121 A Y H > + 0 0 72 -3,-0.5 4,-3.0 2,-0.2 3,-0.2 0.892 67.0 58.3 -76.4 -51.1 -16.9 26.1 -67.3 96 122 A A H > S+ 0 0 68 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.847 104.2 53.0 -51.2 -41.7 -19.7 28.1 -65.5 97 123 A S H > S+ 0 0 48 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.906 114.7 40.1 -62.4 -45.9 -22.1 25.1 -65.5 98 124 A L H X S+ 0 0 0 -4,-0.8 4,-2.4 -3,-0.2 5,-0.2 0.901 113.6 55.5 -68.2 -44.5 -19.5 22.8 -63.8 99 125 A R H X S+ 0 0 25 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