==== 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 COMPLEX (ANTIBODY/ANTIGEN) 21-DEC-97 1A14 . COMPND 2 MOLECULE: NEURAMINIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: INFLUENZA A VIRUS; . AUTHOR R.L.MALBY,A.J.MCCOY,A.A.KORTT,P.J.HUDSON,P.M.COLMAN . 612 3 11 11 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 23508.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 396 64.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 9 1.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 214 35.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 5 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 3 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 7 1.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 2 0.3 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 . 72 11.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 45 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 12 2.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.3 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 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 RESIDUES PER ALPHA HELIX . 3 1 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 0 PARALLEL BRIDGES PER LADDER . 4 5 1 8 4 11 2 1 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 . 0 0 6 2 0 0 0 0 0 0 0 0 1 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 82 N R 0 0 172 0, 0.0 2,-0.4 0, 0.0 106,-0.2 0.000 360.0 360.0 360.0-133.1 69.2 77.5 21.8 2 83 N D - 0 0 125 104,-0.3 153,-0.1 105,-0.0 152,-0.1 -0.988 360.0 -80.9-137.6 137.7 65.8 76.6 20.3 3 84 N F - 0 0 25 -2,-0.4 2,-0.3 1,-0.1 103,-0.3 -0.064 55.5-121.0 -36.5 126.6 62.4 76.0 22.1 4 85 N N - 0 0 29 101,-2.0 150,-1.6 149,-0.0 2,-0.5 -0.593 20.5-153.5 -83.1 142.4 62.5 72.4 23.5 5 86 N N - 0 0 51 -2,-0.3 2,-1.7 148,-0.2 3,-0.2 -0.948 20.7-128.5-120.8 123.9 60.0 69.8 22.5 6 87 N L + 0 0 2 -2,-0.5 199,-2.5 1,-0.2 197,-0.1 -0.598 52.3 149.8 -65.9 88.3 59.0 67.0 24.8 7 88 N T + 0 0 105 -2,-1.7 2,-0.2 197,-0.2 -1,-0.2 0.581 44.1 68.9-103.0 -16.5 59.6 64.4 22.0 8 89 N K S S- 0 0 56 -3,-0.2 196,-1.7 1,-0.1 329,-0.2 -0.680 70.2-131.4-105.4 159.9 60.7 61.4 24.0 9 90 N G - 0 0 11 327,-0.5 329,-2.8 -2,-0.2 2,-0.2 -0.387 42.0 -71.9 -96.4-176.9 58.8 59.0 26.3 10 91 N L B -a 338 0A 20 327,-0.2 329,-0.2 -2,-0.1 -1,-0.1 -0.471 45.9-119.2 -79.4 147.8 59.8 57.8 29.7 11 92 N a - 0 0 14 327,-2.7 2,-0.2 -2,-0.2 329,-0.1 -0.316 43.7 -83.9 -79.0 159.8 62.5 55.3 30.2 12 93 N T - 0 0 83 1,-0.1 2,-0.8 -2,-0.1 -1,-0.1 -0.538 45.3-139.1 -64.4 130.2 61.7 52.0 31.8 13 94 N I + 0 0 2 -2,-0.2 357,-0.2 1,-0.2 3,-0.1 -0.865 41.2 151.3 -98.4 102.0 61.8 52.6 35.6 14 95 N N - 0 0 28 355,-2.9 2,-0.2 -2,-0.8 356,-0.2 0.761 68.1 -27.6-101.7 -27.2 63.5 49.7 37.3 15 96 N S E -B 369 0B 1 354,-1.4 354,-1.5 357,-0.1 2,-0.3 -0.771 65.7-106.9-162.7-164.4 65.1 51.3 40.3 16 97 N W E -B 368 0B 5 352,-0.3 2,-0.3 -2,-0.2 352,-0.2 -0.995 21.1-160.3-144.7 135.7 66.5 54.7 41.4 17 98 N H E -B 367 0B 49 350,-3.4 350,-2.3 -2,-0.3 2,-0.2 -0.771 35.1 -92.0-111.7 162.4 70.0 55.9 41.8 18 99 N I E +B 366 0B 73 -2,-0.3 348,-0.2 348,-0.2 3,-0.1 -0.513 39.7 173.0 -72.2 150.2 71.2 58.9 43.8 19 100 N Y E - 0 0 68 346,-2.5 2,-0.3 1,-0.4 347,-0.2 0.657 61.1 -14.3-120.4 -55.2 71.5 62.1 41.8 20 101 N G E -B 365 0B 4 345,-2.3 345,-3.1 62,-0.0 -1,-0.4 -0.998 45.3-176.9-157.2 152.4 72.2 64.8 44.3 21 102 N K E -B 364 0B 35 -2,-0.3 343,-0.2 343,-0.2 322,-0.0 -0.911 9.5-164.6-148.8 118.0 72.2 65.6 48.1 22 103 N D - 0 0 4 341,-1.4 5,-0.1 -2,-0.3 342,-0.1 0.788 14.1-155.4 -78.1 -21.2 73.1 69.0 49.5 23 104 N N >> + 0 0 51 340,-0.6 4,-2.0 1,-0.1 3,-0.5 0.753 35.4 160.4 52.8 21.9 73.6 67.8 53.2 24 105 N A H 3> + 0 0 2 1,-0.2 4,-1.3 2,-0.2 338,-0.1 0.769 60.2 49.3 -46.5 -45.6 72.7 71.6 53.9 25 106 N V H 3> S+ 0 0 1 2,-0.2 4,-0.6 1,-0.2 -1,-0.2 0.905 111.3 48.7 -69.7 -37.7 71.7 71.3 57.6 26 107 N R H X4 S+ 0 0 106 -3,-0.5 3,-1.3 354,-0.4 4,-0.4 0.954 118.3 40.1 -62.1 -49.7 74.8 69.3 58.7 27 108 N I H >< S+ 0 0 80 -4,-2.0 3,-0.7 1,-0.3 4,-0.4 0.749 107.3 69.1 -70.6 -19.5 77.1 71.8 56.9 28 109 N G H 3< S+ 0 0 0 -4,-1.3 32,-0.5 -5,-0.4 -1,-0.3 0.637 81.8 72.1 -72.3 -15.2 74.8 74.4 58.2 29 110 N E T << S+ 0 0 61 -3,-1.3 -1,-0.2 -4,-0.6 -2,-0.2 0.883 118.1 16.8 -68.6 -36.9 76.0 73.9 61.8 30 111 N D S < S+ 0 0 141 -3,-0.7 2,-0.3 -4,-0.4 -1,-0.2 0.188 120.6 65.8-122.1 22.3 79.3 75.5 61.0 31 112 N S S S- 0 0 62 -4,-0.4 2,-2.6 -3,-0.1 29,-0.3 -0.972 86.8 -98.2-143.8 158.8 78.6 77.4 57.8 32 113 N D + 0 0 67 -2,-0.3 56,-2.2 26,-0.1 57,-0.3 -0.353 61.3 152.6 -75.1 67.3 76.7 80.3 56.3 33 114 N V B -E 87 0C 1 -2,-2.6 26,-0.7 54,-0.2 2,-0.3 -0.477 41.7-118.2 -89.6 157.8 73.9 78.2 54.9 34 115 N L E -F 58 0D 21 52,-2.1 2,-0.3 24,-0.2 24,-0.3 -0.815 18.2-113.1-104.9 147.2 70.5 79.8 54.4 35 116 N V E + 0 0 0 22,-3.3 20,-1.8 -2,-0.3 22,-0.3 -0.584 54.8 157.6 -71.4 133.9 67.2 78.8 56.0 36 117 N T E +F 54 0D 1 -2,-0.3 2,-0.3 18,-0.2 325,-0.2 -0.917 21.2 175.1-150.1 172.2 65.0 77.5 53.2 37 118 N R E +F 53 0D 26 16,-1.0 16,-2.7 -2,-0.3 324,-0.1 -0.921 58.3 53.2-164.8-177.2 62.0 75.3 52.4 38 119 N E E S+ 0 0 9 -2,-0.3 -1,-0.1 14,-0.2 62,-0.1 0.893 75.2 174.0 44.1 51.7 59.8 74.3 49.4 39 120 N P E + 0 0 0 0, 0.0 13,-0.3 0, 0.0 2,-0.3 -0.106 11.4 175.9 -76.3-174.6 62.9 73.3 47.5 40 121 N Y E -F 51 0D 0 11,-2.0 11,-2.6 108,-0.1 2,-0.4 -0.930 28.1-114.8 179.6 160.6 63.0 71.6 44.0 41 122 N V E +F 50 0D 0 -2,-0.3 108,-0.3 9,-0.2 2,-0.3 -0.866 35.4 169.3-108.5 143.1 65.4 70.5 41.3 42 123 N S E -F 49 0D 0 7,-1.7 7,-2.0 -2,-0.4 2,-0.2 -0.871 17.8-139.3-160.8 130.9 65.4 72.1 37.8 43 124 N b E -F 48 0D 1 286,-0.5 61,-0.5 -2,-0.3 5,-0.3 -0.432 6.8-162.6 -99.8 159.4 67.5 72.0 34.6 44 125 N D - 0 0 20 3,-1.8 288,-0.2 -2,-0.2 65,-0.0 -0.664 48.4 -97.2-116.1 175.9 68.9 74.3 32.0 45 126 N P S S+ 0 0 28 0, 0.0 3,-0.1 0, 0.0 -2,-0.0 0.811 127.7 32.5 -69.5 -21.0 70.3 73.1 28.7 46 127 N D S S+ 0 0 102 1,-0.3 2,-0.3 0, 0.0 -3,-0.0 0.603 128.8 5.2-107.4 -18.6 73.7 73.4 30.3 47 128 N E - 0 0 75 34,-0.0 -3,-1.8 2,-0.0 -1,-0.3 -0.941 53.9-134.8-165.9 144.8 73.1 72.6 34.0 48 129 N b E -F 43 0D 13 -5,-0.3 34,-0.6 -2,-0.3 -5,-0.3 -0.741 34.8-176.0 -94.8 152.1 70.5 71.4 36.6 49 130 N R E -FG 42 81D 12 -7,-2.0 -7,-1.7 -2,-0.3 2,-0.4 -0.813 27.2 -96.6-140.9 178.7 70.4 73.3 39.9 50 131 N F E -FG 41 80D 0 30,-2.4 30,-1.7 -2,-0.2 2,-0.4 -0.822 35.0-170.1-100.7 140.4 68.8 73.5 43.4 51 132 N Y E +FG 40 79D 0 -11,-2.6 -11,-2.0 -2,-0.4 2,-0.3 -0.998 17.7 137.9-133.0 140.3 65.8 75.8 44.0 52 133 N A E - G 0 78D 0 26,-1.9 26,-2.5 -2,-0.4 2,-0.7 -0.977 53.4 -91.5-171.0 164.0 64.1 76.7 47.2 53 134 N L E -FG 37 77D 0 -16,-2.7 -16,-1.0 -2,-0.3 24,-0.2 -0.808 41.9-152.9 -90.1 110.5 62.5 79.6 49.2 54 135 N S E -FG 36 76D 7 22,-2.5 22,-0.7 -2,-0.7 -18,-0.2 -0.328 8.9-143.9 -75.2 164.7 65.2 81.3 51.4 55 136 N Q E - 0 0 15 -20,-1.8 20,-0.1 2,-0.4 -19,-0.1 0.339 42.2-105.3-117.2 14.1 64.2 83.0 54.6 56 137 N G E S+ 0 0 51 -21,-0.3 2,-0.3 1,-0.2 19,-0.1 0.866 91.9 89.2 66.3 36.5 66.7 85.9 54.6 57 138 N T E S- 0 0 16 -22,-0.3 -22,-3.3 7,-0.1 -2,-0.4 -0.992 73.2-122.6-163.3 154.7 68.6 84.1 57.4 58 139 N T E > -F 34 0D 36 -2,-0.3 3,-1.0 -24,-0.3 6,-0.2 -0.544 34.0-120.0 -91.6 155.8 71.4 81.6 58.1 59 140 N I T 3 S+ 0 0 4 -26,-0.7 5,-0.2 -28,-0.3 -1,-0.1 0.975 116.4 44.9 -61.3 -54.4 70.4 78.6 60.3 60 141 N R T 3 S+ 0 0 109 -32,-0.5 2,-0.4 -29,-0.3 -1,-0.2 0.142 97.0 103.5 -75.5 17.1 72.9 79.5 63.0 61 142 N G S X S- 0 0 16 -3,-1.0 3,-2.7 1,-0.1 4,-0.2 -0.836 82.1-119.1-104.1 145.5 71.8 83.2 62.8 62 143 N K T 3 S+ 0 0 200 -2,-0.4 3,-0.5 1,-0.3 -1,-0.1 0.594 111.4 61.8 -55.8 -13.6 69.5 84.8 65.4 63 144 N H T 3 S+ 0 0 150 1,-0.2 -1,-0.3 -5,-0.1 4,-0.2 0.590 79.3 84.9 -89.4 -8.1 66.9 85.5 62.7 64 145 N S X + 0 0 12 -3,-2.7 3,-0.9 -6,-0.2 2,-0.6 0.599 68.2 98.3 -65.2 -14.0 66.4 81.8 62.1 65 146 N N T 3 S+ 0 0 93 -3,-0.5 293,-0.2 1,-0.2 292,-0.0 -0.715 86.2 25.3 -76.3 122.0 64.0 81.9 64.9 66 147 N G T > S+ 0 0 23 291,-2.0 3,-2.3 -2,-0.6 2,-0.8 0.074 79.3 129.1 109.8 -17.5 60.5 82.1 63.6 67 148 N T T < + 0 0 11 -3,-0.9 291,-0.1 1,-0.3 -2,-0.1 0.238 51.9 84.5 -54.8 8.7 61.4 80.6 60.2 68 149 N I T 3 S+ 0 0 62 -2,-0.8 2,-0.5 289,-0.3 -1,-0.3 0.475 70.1 104.2 -87.0 -6.7 58.5 78.2 60.7 69 150 N H < - 0 0 125 -3,-2.3 3,-0.1 1,-0.1 290,-0.1 -0.648 65.9-151.5 -82.8 124.3 56.5 81.0 59.2 70 151 N D S S+ 0 0 74 -2,-0.5 2,-0.4 1,-0.1 -1,-0.1 0.859 70.9 35.1 -62.5 -40.0 55.6 80.5 55.6 71 152 N R + 0 0 90 3,-0.0 2,-0.3 44,-0.0 -1,-0.1 -0.953 59.6 131.4-132.3 138.5 55.4 84.0 54.3 72 153 N S > - 0 0 30 -2,-0.4 3,-1.4 25,-0.1 44,-0.1 -0.963 64.8 -99.4-163.5 169.2 57.3 87.3 54.9 73 154 N Q T 3 S+ 0 0 155 -2,-0.3 24,-0.1 1,-0.3 -17,-0.0 0.593 114.5 74.0 -75.0 -4.2 58.9 90.0 52.9 74 155 N Y T 3 S+ 0 0 158 -19,-0.1 -1,-0.3 22,-0.1 2,-0.2 0.482 73.3 95.7 -89.7 -0.6 62.1 88.2 53.7 75 156 N R < - 0 0 5 -3,-1.4 22,-1.0 -20,-0.1 2,-0.3 -0.571 46.5-179.8 -92.4 148.0 61.8 85.2 51.4 76 157 N A E -GH 54 96D 14 -22,-0.7 -22,-2.5 20,-0.2 2,-0.6 -0.994 34.7-116.0-142.9 141.6 63.4 84.9 47.9 77 158 N L E -GH 53 95D 0 18,-2.5 17,-3.7 -2,-0.3 18,-0.8 -0.748 48.5-179.6 -75.2 122.4 63.3 82.2 45.3 78 159 N I E -GH 52 93D 4 -26,-2.5 -26,-1.9 -2,-0.6 2,-0.3 -0.956 17.4-162.4-128.8 151.9 67.0 81.2 45.2 79 160 N S E +GH 51 92D 0 13,-2.6 13,-3.1 -2,-0.3 -28,-0.2 -0.921 9.8 177.3-129.2 153.8 69.0 78.7 43.2 80 161 N W E -G 50 0D 0 -30,-1.7 -30,-2.4 -2,-0.3 11,-0.1 -0.926 42.1 -64.9-150.9 165.9 72.5 77.2 43.6 81 162 N P E > S-G 49 0D 50 0, 0.0 3,-1.5 0, 0.0 -32,-0.1 -0.242 70.1 -87.3 -52.4 143.1 74.9 74.7 42.1 82 163 N L T 3 S+ 0 0 50 -34,-0.6 -33,-0.1 1,-0.2 -41,-0.0 -0.334 108.2 6.1 -57.3 138.9 73.6 71.1 42.2 83 164 N S T 3 S+ 0 0 49 1,-0.2 -1,-0.2 -3,-0.1 -62,-0.1 0.564 102.2 110.3 63.3 18.3 74.5 69.3 45.5 84 165 N S S < S- 0 0 42 -3,-1.5 -1,-0.2 -64,-0.0 -60,-0.1 -0.738 76.1-100.1-112.0 158.5 76.0 72.3 47.3 85 166 N P - 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