==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-AUG-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER VIRAL PROTEIN/IMMUNE SYSTEM 12-JUL-11 3ZTN . COMPND 2 MOLECULE: HAEMAGGLUTININ; . SOURCE 2 ORGANISM_SCIENTIFIC: INFLUENZA A VIRUS; . AUTHOR P.A.HUBBARD,A.J.RITCHIE,D.CORTI,J.E.VOSS,S.J.GAMBLIN,G.CODON . 823 9 8 7 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 38118.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 500 60.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 27 3.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 186 22.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 3 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 10 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 . 91 11.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 46 5.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 101 12.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 0.6 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 1 1 2 0 0 1 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 1 RESIDUES PER ALPHA HELIX . 3 4 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 0 PARALLEL BRIDGES PER LADDER . 9 11 11 1 3 5 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 . 7 4 2 1 2 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 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 1 A D 0 0 72 0, 0.0 467,-3.6 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 113.4 42.6 -29.4 45.8 2 2 A T E -AB 355 467A 23 353,-2.3 353,-2.0 465,-0.2 2,-0.3 -0.782 360.0-169.0-121.9 155.4 40.9 -28.2 49.0 3 3 A L E -AB 354 466A 9 463,-2.2 463,-3.1 -2,-0.3 2,-0.4 -0.968 16.2-170.8-136.4 127.8 37.5 -28.0 50.8 4 4 A a E -AB 353 465A 14 349,-2.3 349,-1.6 -2,-0.3 2,-0.5 -0.930 16.2-147.8-116.5 142.8 37.0 -25.7 53.8 5 5 A I E +A 352 0A 4 459,-2.1 347,-0.2 -2,-0.4 2,-0.2 -0.932 40.6 142.7-100.1 132.6 34.1 -25.5 56.3 6 6 A G E -A 351 0A 2 345,-2.7 345,-1.5 -2,-0.5 2,-0.2 -0.719 34.0-118.7-148.6-163.3 33.7 -21.9 57.6 7 7 A Y E -A 350 0A 18 333,-0.4 335,-2.1 343,-0.2 338,-0.3 -0.850 32.2 -68.5-147.9-176.3 31.2 -19.2 58.6 8 8 A H B +e 342 0B 14 341,-1.2 313,-0.3 -2,-0.2 2,-0.3 -0.475 34.1 176.2 -85.6 140.9 29.8 -15.8 58.1 9 9 A A + 0 0 2 333,-1.6 2,-0.3 336,-0.2 311,-0.1 -0.970 8.2 170.7-129.2 155.1 31.4 -12.4 58.6 10 10 A N - 0 0 27 -2,-0.3 333,-0.1 2,-0.2 334,-0.1 -0.856 48.6 -93.2-146.6-175.4 29.9 -9.0 57.8 11 11 A N S S+ 0 0 154 -2,-0.3 16,-0.0 332,-0.1 332,-0.0 0.465 78.3 126.9 -84.8 1.6 30.5 -5.3 58.3 12 12 A S - 0 0 28 1,-0.1 -2,-0.2 15,-0.1 16,-0.1 -0.252 38.8-173.5 -61.7 141.9 28.3 -5.2 61.4 13 13 A T + 0 0 121 14,-0.1 2,-0.5 12,-0.1 -1,-0.1 -0.092 33.5 138.6-128.2 33.1 29.8 -3.8 64.5 14 14 A D E -F 26 0C 27 12,-0.7 12,-3.7 11,-0.0 306,-0.2 -0.690 36.5-158.9 -76.4 121.8 27.0 -4.6 67.0 15 15 A T E -F 25 0C 33 -2,-0.5 2,-0.3 10,-0.3 10,-0.2 -0.446 12.8-179.8 -99.5-178.9 28.5 -5.8 70.3 16 16 A V E -F 24 0C 0 8,-0.6 8,-2.9 -2,-0.1 2,-0.5 -0.957 26.4-109.7-178.4 149.6 26.9 -7.9 73.0 17 17 A D - 0 0 49 296,-0.4 415,-0.2 -2,-0.3 5,-0.2 -0.901 22.2-166.9-116.0 129.9 27.9 -9.2 76.3 18 18 A T - 0 0 7 3,-2.9 412,-0.2 -2,-0.5 411,-0.1 -0.564 37.3-113.8 -99.7 166.0 28.6 -12.8 77.2 19 19 A V S S+ 0 0 71 410,-0.9 411,-0.1 -2,-0.2 3,-0.1 0.771 120.6 40.2 -73.7 -18.6 28.9 -14.0 80.7 20 20 A L S S+ 0 0 120 1,-0.2 2,-0.3 409,-0.2 -1,-0.2 0.673 123.6 28.0 -98.6 -24.8 32.5 -14.8 79.7 21 21 A E - 0 0 63 3,-0.0 -3,-2.9 -5,-0.0 3,-0.4 -0.980 65.5-142.6-146.1 130.1 33.5 -11.8 77.6 22 22 A K S S+ 0 0 76 -2,-0.3 -5,-0.1 -5,-0.2 -3,-0.0 -0.545 82.9 18.1 -84.9 156.8 32.3 -8.2 77.5 23 23 A N S S+ 0 0 112 1,-0.2 2,-0.6 -2,-0.2 -1,-0.2 0.888 72.8 173.3 44.9 59.8 32.0 -6.4 74.1 24 24 A V E -F 16 0C 10 -8,-2.9 -8,-0.6 -3,-0.4 2,-0.4 -0.836 29.0-130.9 -91.2 122.5 31.9 -9.4 71.8 25 25 A T E -F 15 0C 46 -2,-0.6 295,-2.5 -10,-0.2 2,-0.3 -0.604 28.0-167.3 -79.1 129.8 31.1 -8.2 68.2 26 26 A V E -FG 14 319C 0 -12,-3.7 -12,-0.7 -2,-0.4 293,-0.2 -0.784 33.4-136.3-120.7 158.6 28.3 -10.1 66.4 27 27 A T S S+ 0 0 6 291,-2.3 2,-0.3 -2,-0.3 -15,-0.1 0.772 93.0 16.4 -75.8 -26.0 26.9 -10.4 62.8 28 28 A H + 0 0 14 290,-0.4 288,-1.6 -14,-0.1 289,-0.9 -0.976 66.6 143.3-149.0 157.4 23.4 -10.1 64.2 29 29 A S E -H 315 0D 29 -2,-0.3 2,-0.3 286,-0.3 286,-0.2 -0.965 29.4-129.8-173.6-174.1 21.3 -9.2 67.2 30 30 A V E -H 314 0D 17 284,-0.7 284,-2.0 -2,-0.3 2,-0.1 -0.852 21.6-129.3-160.1 117.3 18.2 -7.7 68.7 31 31 A N E -H 313 0D 32 -2,-0.3 282,-0.2 282,-0.2 3,-0.0 -0.471 16.5-171.4 -66.1 142.1 17.8 -5.0 71.4 32 32 A L + 0 0 0 280,-1.5 260,-1.4 -2,-0.1 2,-0.6 0.389 60.5 86.7-110.2 -2.8 15.4 -6.2 74.1 33 33 A L E S-i 292 0E 1 258,-0.1 2,-0.8 279,-0.1 260,-0.2 -0.900 70.2-141.2-117.3 113.3 15.3 -2.8 75.8 34 34 A E E +i 293 0E 14 258,-2.6 260,-1.6 -2,-0.6 261,-0.3 -0.599 32.4 164.3 -66.1 109.5 12.9 0.0 75.0 35 35 A D + 0 0 89 -2,-0.8 2,-0.4 258,-0.2 -1,-0.2 0.483 50.7 66.9-105.6 -4.5 15.3 2.9 75.5 36 36 A K - 0 0 81 -3,-0.1 251,-0.4 251,-0.0 2,-0.2 -0.953 55.0-170.4-132.9 137.1 13.2 5.6 73.6 37 37 A H - 0 0 81 -2,-0.4 249,-0.2 249,-0.1 247,-0.0 -0.756 27.9-124.2-122.8 166.1 9.9 7.4 74.2 38 38 A N - 0 0 76 247,-2.2 246,-0.1 -2,-0.2 248,-0.1 0.279 33.6-130.3-100.9 9.2 7.7 9.6 72.1 39 39 A G S S+ 0 0 25 246,-0.3 2,-0.3 1,-0.1 245,-0.2 0.556 71.4 103.5 57.5 10.8 7.4 12.7 74.3 40 40 A K S S- 0 0 33 245,-0.1 2,-1.0 230,-0.1 245,-0.4 -0.880 74.3-123.3-117.9 155.6 3.6 12.9 74.1 41 41 A L E -k 272 0F 0 230,-3.2 232,-1.5 -2,-0.3 3,-0.1 -0.810 45.6-161.4 -91.9 100.6 0.8 12.0 76.5 42 42 A b E - 0 0 0 -2,-1.0 2,-0.3 230,-0.2 234,-0.2 -0.239 29.3 -82.4 -86.7 165.7 -1.1 9.6 74.2 43 43 A K E -k 276 0F 46 232,-3.6 234,-1.6 1,-0.1 5,-0.3 -0.544 44.3-151.4 -59.0 122.7 -4.7 8.2 74.3 44 44 A L S S- 0 0 15 3,-1.2 233,-1.1 -2,-0.3 -1,-0.1 0.926 75.7 -3.0 -65.6 -93.6 -4.3 5.4 76.7 45 45 A R S S- 0 0 60 2,-0.3 232,-0.3 231,-0.1 32,-0.1 0.224 120.8 -61.7 -64.5-151.1 -6.9 2.9 75.6 46 46 A G S S+ 0 0 58 230,-0.1 2,-0.3 2,-0.1 -1,-0.1 0.679 124.8 90.4 -65.2 -11.2 -8.9 4.3 72.7 47 47 A V S S- 0 0 55 1,-0.1 -3,-1.2 -4,-0.1 -2,-0.3 -0.691 76.5-130.0 -98.6 135.8 -9.8 6.9 75.3 48 48 A A - 0 0 39 -2,-0.3 29,-1.6 -5,-0.3 30,-0.4 -0.206 25.9-107.1 -73.1 165.0 -7.9 10.2 76.0 49 49 A P - 0 0 15 0, 0.0 2,-0.6 0, 0.0 30,-0.2 -0.280 34.1-108.6 -78.8 179.4 -6.7 11.3 79.4 50 50 A L E -l 79 0G 12 28,-2.4 30,-2.1 -2,-0.1 2,-0.2 -0.955 34.1-157.7-114.6 110.7 -8.5 14.2 81.1 51 51 A H E +l 80 0G 84 -2,-0.6 30,-0.2 28,-0.2 28,-0.0 -0.626 16.8 178.7 -90.9 145.3 -6.3 17.3 81.1 52 52 A L > - 0 0 2 28,-1.3 3,-1.4 -2,-0.2 2,-0.2 0.535 11.0-176.1-124.2 -16.3 -6.8 20.1 83.7 53 53 A G T 3 S+ 0 0 25 27,-0.4 29,-0.7 1,-0.3 -1,-0.2 -0.310 71.8 15.0 59.3-115.8 -4.1 22.6 83.0 54 54 A K T 3 S+ 0 0 66 -2,-0.2 33,-1.6 12,-0.1 32,-0.6 0.828 119.7 62.4 -68.9 -34.0 -4.2 25.5 85.5 55 55 A c S < S- 0 0 2 -3,-1.4 27,-0.2 30,-0.2 33,-0.2 -0.721 73.5-138.5 -96.6 144.4 -6.4 23.8 88.2 56 56 A N > - 0 0 25 31,-0.4 4,-2.2 -2,-0.3 5,-0.2 -0.164 44.9 -83.9 -80.5-173.9 -5.5 20.6 90.1 57 57 A I H > S+ 0 0 0 1,-0.2 4,-3.0 2,-0.2 5,-0.3 0.912 127.8 55.8 -64.4 -41.7 -8.2 18.0 90.8 58 58 A A H > S+ 0 0 4 2,-0.2 4,-2.4 1,-0.2 5,-0.3 0.913 110.3 44.5 -55.8 -47.5 -9.6 19.8 93.9 59 59 A G H >>S+ 0 0 0 1,-0.2 4,-2.9 28,-0.2 5,-2.4 0.964 114.0 49.7 -61.3 -52.4 -10.2 23.0 91.9 60 60 A W H <5S+ 0 0 20 -4,-2.2 -2,-0.2 3,-0.2 -1,-0.2 0.925 115.1 42.9 -52.6 -48.3 -11.7 21.2 89.0 61 61 A I H <5S+ 0 0 0 -4,-3.0 -1,-0.2 1,-0.2 -2,-0.2 0.885 118.0 42.2 -76.4 -38.8 -14.1 19.1 91.1 62 62 A L H <5S- 0 0 0 -4,-2.4 85,-1.3 -5,-0.3 86,-0.3 0.876 117.3-110.0 -67.5 -39.9 -15.2 21.8 93.5 63 63 A G T <5 - 0 0 11 -4,-2.9 83,-1.1 -5,-0.3 -3,-0.2 0.779 35.1-160.9 110.6 45.4 -15.6 24.3 90.7 64 64 A N > < - 0 0 5 -5,-2.4 3,-1.8 81,-0.2 4,-0.2 -0.395 28.1-119.8 -61.5 126.4 -12.8 26.8 91.2 65 65 A P G > S+ 0 0 16 0, 0.0 3,-0.7 0, 0.0 -1,-0.2 0.720 113.4 51.0 -36.2 -34.5 -13.7 30.0 89.3 66 66 A E G 3 S+ 0 0 116 1,-0.2 3,-0.3 2,-0.1 -12,-0.1 0.817 100.3 59.9 -80.9 -32.2 -10.4 29.5 87.3 67 67 A c G < S+ 0 0 10 -3,-1.8 -1,-0.2 1,-0.2 -3,-0.1 0.240 77.2 112.3 -76.5 14.1 -11.0 25.9 86.3 68 68 A E < + 0 0 76 -3,-0.7 2,-2.1 -4,-0.2 -1,-0.2 0.966 61.8 57.2 -55.5 -73.5 -14.3 26.9 84.5 69 69 A S S S+ 0 0 98 -3,-0.3 2,-0.4 2,-0.1 -1,-0.2 -0.424 72.4 135.8 -63.3 83.7 -13.5 26.4 80.8 70 70 A L - 0 0 44 -2,-2.1 2,-1.8 -10,-0.1 -18,-0.0 -0.894 52.4-140.9-136.1 104.6 -12.7 22.7 81.2 71 71 A S - 0 0 112 -2,-0.4 2,-0.5 1,-0.1 -20,-0.1 -0.463 23.3-158.2 -67.6 86.4 -14.2 20.4 78.5 72 72 A T - 0 0 67 -2,-1.8 2,-0.1 -22,-0.1 39,-0.1 -0.570 8.8-140.6 -73.9 118.0 -15.1 17.5 80.7 73 73 A A - 0 0 47 -2,-0.5 3,-0.1 2,-0.1 -1,-0.1 -0.359 23.3-111.9 -75.7 158.7 -15.4 14.4 78.7 74 74 A S S S- 0 0 92 1,-0.1 37,-0.5 -2,-0.1 2,-0.3 0.513 99.1 -8.6 -67.0 -2.5 -18.1 11.8 79.3 75 75 A S - 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