==== 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 (HYDROLASE/IMMUNOGLOBULIN) 17-JAN-95 1NMB . COMPND 2 MOLECULE: N9 NEURAMINIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: INFLUENZA A VIRUS; . AUTHOR R.L.MALBY,W.R.TULIP,P.M.COLMAN . 619 3 11 11 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 24511.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 390 63.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 13 2.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 210 33.9 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 . 4 0.6 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 1 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 . 74 12.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 43 6.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 11 1.8 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 . 0 1 0 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 . 4 5 3 6 5 9 3 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 . 1 0 8 0 0 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 82 N R 0 0 161 0, 0.0 2,-0.2 0, 0.0 106,-0.1 0.000 360.0 360.0 360.0 132.9 81.3 70.4 66.0 2 83 N E - 0 0 183 104,-0.1 2,-0.2 1,-0.1 153,-0.1 -0.616 360.0 -89.4 -94.6 160.8 80.2 66.9 67.2 3 84 N F - 0 0 37 -2,-0.2 103,-0.3 103,-0.2 151,-0.1 -0.524 50.4-106.9 -69.9 139.7 79.9 64.0 64.8 4 85 N N - 0 0 26 101,-3.1 150,-1.7 -2,-0.2 2,-0.3 0.136 32.1-152.4 -56.2 172.3 76.5 63.7 63.1 5 86 N N - 0 0 56 148,-0.2 2,-3.1 326,-0.2 3,-0.3 -0.894 23.9-124.4-156.7 124.7 74.1 61.0 64.1 6 87 N L + 0 0 4 -2,-0.3 199,-2.5 1,-0.2 197,-0.1 -0.423 58.1 145.0 -68.0 69.9 71.3 59.3 62.2 7 88 N T + 0 0 98 -2,-3.1 -1,-0.2 197,-0.2 2,-0.1 0.817 49.3 56.8 -78.6 -37.2 68.8 60.3 64.9 8 89 N K - 0 0 58 -3,-0.3 196,-2.0 323,-0.1 2,-0.2 -0.336 69.9-131.6 -96.2 176.3 65.7 60.9 62.8 9 90 N G E -a 337 0A 18 327,-0.6 329,-2.9 194,-0.2 2,-0.2 -0.643 38.9 -77.5-118.7 174.1 63.6 59.0 60.3 10 91 N L E -a 338 0A 15 327,-0.2 329,-0.2 -2,-0.2 2,-0.1 -0.527 47.0-123.4 -74.2 142.3 62.2 59.8 56.8 11 92 N a - 0 0 17 327,-1.5 2,-0.2 -2,-0.2 329,-0.2 -0.406 43.5 -75.5 -78.8 166.6 59.2 62.1 56.6 12 93 N T - 0 0 80 -2,-0.1 2,-0.7 1,-0.1 -1,-0.1 -0.387 48.3-145.3 -68.8 119.9 56.0 61.1 54.9 13 94 N I + 0 0 1 -2,-0.2 357,-0.2 1,-0.2 3,-0.1 -0.837 42.4 143.5 -90.9 113.1 56.7 61.4 51.2 14 95 N N S S+ 0 0 23 355,-2.8 2,-0.3 -2,-0.7 356,-0.2 0.534 70.1 10.7-119.7 -26.4 53.6 62.5 49.3 15 96 N S E -B 369 0B 2 354,-1.5 354,-2.1 357,-0.1 2,-0.7 -0.997 64.3-126.5-154.3 153.8 55.1 64.7 46.7 16 97 N W E -B 368 0B 5 -2,-0.3 352,-0.2 352,-0.2 2,-0.2 -0.887 27.4-160.6-107.0 106.6 58.5 65.6 45.2 17 98 N H E -B 367 0B 49 350,-2.2 350,-2.0 -2,-0.7 358,-0.0 -0.566 30.2 -95.9 -86.5 148.4 59.2 69.4 45.2 18 99 N I E +B 366 0B 67 348,-0.2 348,-0.2 -2,-0.2 -1,-0.1 -0.324 45.6 168.6 -62.2 135.0 61.8 71.0 42.9 19 100 N Y E - 0 0 60 346,-2.6 2,-0.3 1,-0.5 347,-0.2 0.688 56.0 -10.8-120.6 -32.3 65.2 71.5 44.8 20 101 N G E +B 365 0B 5 345,-1.3 345,-2.2 63,-0.0 -1,-0.5 -0.945 48.3 171.8-166.1 156.1 67.9 72.5 42.4 21 102 N K E -B 364 0B 36 -2,-0.3 2,-0.6 343,-0.2 343,-0.2 -0.718 11.1-165.7-173.3 118.0 68.5 72.6 38.6 22 103 N D E -B 363 0B 3 341,-1.3 2,-2.4 -2,-0.2 341,-0.6 -0.981 18.9-144.1-113.3 114.5 71.6 74.2 37.0 23 104 N N >> + 0 0 53 -2,-0.6 4,-2.5 60,-0.3 3,-0.6 -0.231 39.9 160.3 -78.7 58.6 70.9 74.6 33.3 24 105 N A H 3> + 0 0 2 -2,-2.4 4,-2.2 1,-0.3 -1,-0.2 0.774 69.2 41.5 -49.1 -46.6 74.6 73.8 32.7 25 106 N V H 3> S+ 0 0 0 -3,-0.3 4,-0.8 2,-0.2 -1,-0.3 0.840 114.4 53.9 -77.3 -28.9 74.4 72.8 29.1 26 107 N R H X4 S+ 0 0 141 -3,-0.6 3,-1.2 354,-0.2 -2,-0.2 1.000 120.7 30.4 -63.6 -62.8 72.0 75.7 28.3 27 108 N I H >< S+ 0 0 72 -4,-2.5 3,-2.5 1,-0.3 -2,-0.2 0.844 108.7 75.5 -62.7 -38.2 74.3 78.3 29.8 28 109 N G H >< S+ 0 0 1 -4,-2.2 3,-0.9 -5,-0.4 5,-0.4 0.720 79.3 69.8 -49.9 -27.1 77.4 76.2 28.8 29 110 N E T << S+ 0 0 58 -3,-1.2 -1,-0.3 -4,-0.8 -2,-0.1 0.658 116.5 22.7 -72.2 -6.9 77.2 77.1 25.2 30 111 N D T < S+ 0 0 127 -3,-2.5 -1,-0.3 -4,-0.2 2,-0.3 -0.350 120.9 51.1-154.3 57.6 78.2 80.7 26.0 31 112 N S S < S- 0 0 59 -3,-0.9 2,-1.1 2,-0.1 29,-0.3 -0.923 94.9 -83.9-176.5 175.5 80.0 80.5 29.3 32 113 N D + 0 0 64 -2,-0.3 56,-2.4 26,-0.1 2,-0.4 -0.493 58.6 159.5-104.5 68.6 82.9 78.5 30.8 33 114 N V B -E 87 0C 0 -2,-1.1 26,-1.5 -5,-0.4 54,-0.3 -0.707 36.6-127.2 -89.8 129.9 81.2 75.4 32.0 34 115 N L B -F 58 0D 22 52,-3.0 2,-0.4 -2,-0.4 24,-0.3 -0.445 24.8-110.0 -72.2 149.6 83.3 72.4 32.6 35 116 N V + 0 0 0 22,-3.0 20,-1.8 -2,-0.1 21,-0.3 -0.714 53.9 161.3 -79.7 133.2 82.3 69.1 30.9 36 117 N T + 0 0 3 -2,-0.4 2,-0.2 18,-0.2 18,-0.2 -0.628 23.4 173.9-137.8-170.3 81.2 66.6 33.6 37 118 N R + 0 0 25 -2,-0.2 16,-3.0 16,-0.2 324,-0.0 -0.864 59.6 55.6 173.6 171.9 79.2 63.4 34.4 38 119 N E S S+ 0 0 9 -2,-0.2 62,-0.1 14,-0.2 2,-0.1 0.941 74.2 175.4 54.8 50.9 78.5 61.2 37.4 39 120 N P + 0 0 0 0, 0.0 2,-0.3 0, 0.0 13,-0.2 -0.331 11.1 159.0 -82.2 173.9 77.1 64.1 39.4 40 121 N Y E -G 51 0E 1 11,-1.5 11,-1.8 108,-0.1 2,-0.4 -0.943 29.7-115.6-177.6 173.0 75.5 64.0 42.9 41 122 N V E +G 50 0E 0 -2,-0.3 2,-0.3 286,-0.2 108,-0.3 -0.965 25.9 171.5-133.8 144.9 74.8 66.3 45.8 42 123 N S E -G 49 0E 0 7,-1.6 7,-2.6 -2,-0.4 2,-0.3 -0.959 16.3-144.0-147.4 161.5 75.9 66.5 49.3 43 124 N b E -G 48 0E 0 -2,-0.3 61,-0.3 286,-0.3 5,-0.3 -0.921 2.0-158.8-129.6 149.4 75.6 68.8 52.2 44 125 N D E > -G 47 0E 21 3,-2.7 3,-1.6 -2,-0.3 288,-0.1 -0.665 57.2 -75.8-114.9 175.1 77.8 69.9 55.0 45 126 N P T 3 S+ 0 0 39 0, 0.0 3,-0.1 0, 0.0 285,-0.0 0.451 130.5 21.4 -54.7 2.0 76.4 71.4 58.2 46 127 N D T 3 S+ 0 0 106 1,-0.3 2,-0.3 287,-0.0 -3,-0.0 0.164 123.0 29.6-158.2 21.8 75.8 74.7 56.4 47 128 N E E < -G 44 0E 79 -3,-1.6 -3,-2.7 2,-0.0 2,-0.4 -0.949 51.0-149.6-174.0 157.9 75.7 74.2 52.6 48 129 N b E +G 43 0E 12 -2,-0.3 34,-0.9 -5,-0.3 2,-0.3 -0.979 27.7 176.9-137.5 135.2 74.7 71.7 49.9 49 130 N R E -GH 42 81E 12 -7,-2.6 -7,-1.6 -2,-0.4 2,-0.1 -0.931 30.5-103.7-138.1 161.3 76.6 71.8 46.7 50 131 N F E -GH 41 80E 0 30,-2.5 30,-2.1 -2,-0.3 2,-0.3 -0.465 33.4-168.4 -83.6 158.3 76.8 69.9 43.4 51 132 N Y E +GH 40 79E 0 -11,-1.8 -11,-1.5 28,-0.2 2,-0.3 -0.960 14.1 150.5-140.8 154.6 79.6 67.4 42.7 52 133 N A E - H 0 78E 0 26,-1.5 26,-2.0 -2,-0.3 2,-0.9 -0.991 49.6 -88.6-172.7 173.9 80.8 65.7 39.5 53 134 N L E - H 0 77E 0 -16,-3.0 24,-0.2 -2,-0.3 -16,-0.2 -0.895 44.6-153.6-102.0 106.2 83.6 64.2 37.5 54 135 N S - 0 0 2 22,-2.7 -18,-0.2 -2,-0.9 22,-0.1 -0.327 11.7-146.1 -72.5 161.9 84.9 66.9 35.5 55 136 N Q - 0 0 16 -20,-1.8 -19,-0.1 2,-0.4 20,-0.1 0.185 42.1-111.9-112.6 9.2 86.6 66.1 32.2 56 137 N G S S+ 0 0 44 -21,-0.3 2,-0.3 1,-0.2 19,-0.1 0.922 89.5 77.9 60.8 46.4 89.2 68.9 32.4 57 138 N T S S- 0 0 15 -22,-0.3 -22,-3.0 7,-0.1 -2,-0.4 -0.927 77.3-115.3-173.3 153.8 87.8 70.8 29.5 58 139 N T B -F 34 0D 31 -24,-0.3 -24,-0.3 -2,-0.3 -23,-0.1 -0.391 35.2-105.7 -88.4-178.0 84.8 73.1 29.0 59 140 N I S S+ 0 0 2 -26,-1.5 5,-0.1 -28,-0.2 -30,-0.1 0.912 112.8 42.3 -79.9 -40.1 82.0 72.3 26.6 60 141 N R S S+ 0 0 108 -32,-0.3 -1,-0.2 -29,-0.3 2,-0.1 0.653 93.3 96.1 -84.2 -14.0 82.8 74.6 23.7 61 142 N G S > S- 0 0 28 1,-0.1 3,-1.0 2,-0.1 4,-0.1 -0.359 86.3-112.0 -74.0 161.0 86.5 74.1 23.6 62 143 N K G > S+ 0 0 193 1,-0.3 3,-1.4 2,-0.1 -1,-0.1 0.727 107.7 76.5 -61.0 -28.0 88.1 71.7 21.2 63 144 N H G 3 S+ 0 0 157 1,-0.2 -1,-0.3 3,-0.0 -2,-0.1 0.219 76.6 78.4 -71.8 15.6 89.2 69.4 24.2 64 145 N S G X + 0 0 11 -3,-1.0 3,-1.9 -5,-0.1 2,-0.5 0.547 61.4 107.9 -98.3 -12.0 85.6 68.1 24.5 65 146 N N T < S+ 0 0 104 -3,-1.4 293,-0.2 1,-0.3 292,-0.0 -0.564 85.9 23.8 -66.9 116.0 85.9 65.7 21.5 66 147 N G T > S+ 0 0 29 291,-2.1 3,-1.0 -2,-0.5 -1,-0.3 0.412 74.3 133.3 108.0 5.8 86.1 62.3 23.2 67 148 N T T < + 0 0 10 -3,-1.9 291,-0.1 290,-0.5 -2,-0.1 0.499 55.9 82.1 -68.7 -4.9 84.4 62.9 26.5 68 149 N I T 3 S+ 0 0 67 289,-0.4 -1,-0.2 2,-0.0 290,-0.1 0.990 72.5 92.9 -58.5 -48.4 82.2 59.8 26.1 69 150 N H < - 0 0 139 -3,-1.0 290,-0.1 1,-0.1 3,-0.0 -0.068 68.7-158.1 -48.1 118.3 85.3 58.0 27.5 70 151 N D + 0 0 63 1,-0.1 2,-0.3 5,-0.0 -1,-0.1 0.156 65.0 55.2 -93.3 23.0 84.8 57.8 31.2 71 152 N R + 0 0 103 -16,-0.0 2,-0.3 44,-0.0 -1,-0.1 -0.808 58.9 125.2-156.5 110.8 88.4 57.4 32.5 72 153 N S > - 0 0 28 -2,-0.3 3,-0.5 -3,-0.0 25,-0.1 -0.959 64.7-104.2-155.5 167.0 91.5 59.5 32.0 73 154 N Q T 3 S+ 0 0 149 -2,-0.3 24,-0.0 1,-0.2 -18,-0.0 0.528 109.5 72.0 -77.1 -0.5 94.1 61.4 33.9 74 155 N Y T 3 S+ 0 0 151 -19,-0.1 2,-0.4 22,-0.1 -1,-0.2 -0.242 76.8 99.1-102.9 36.6 92.4 64.7 33.2 75 156 N R < + 0 0 1 -3,-0.5 22,-2.0 -20,-0.1 2,-0.3 -0.995 43.6 174.5-128.1 136.2 89.3 64.2 35.5 76 157 N D E - I 0 96E 34 -2,-0.4 -22,-2.7 20,-0.2 2,-0.6 -0.854 37.7-110.4-135.0 159.7 88.9 65.6 38.9 77 158 N L E -HI 53 95E 0 18,-2.3 17,-3.0 -2,-0.3 18,-0.8 -0.880 43.2-173.1 -90.6 121.4 86.0 65.6 41.4 78 159 N I E -HI 52 93E 3 -26,-2.0 -26,-1.5 -2,-0.6 2,-0.3 -0.882 10.2-156.9-116.1 148.4 84.8 69.2 41.5 79 160 N S E -HI 51 92E 0 13,-1.7 13,-1.5 -2,-0.3 -28,-0.2 -0.822 15.8-180.0-117.1 162.8 82.2 70.7 43.9 80 161 N W E -H 50 0E 2 -30,-2.1 -30,-2.5 -2,-0.3 3,-0.2 -0.991 35.1 -69.2-163.2 157.4 80.0 73.8 43.4 81 162 N P E > -H 49 0E 48 0, 0.0 3,-2.5 0, 0.0 -32,-0.2 -0.133 69.3 -88.0 -46.2 128.2 77.3 76.2 44.6 82 163 N L T 3 S- 0 0 60 -34,-0.9 -33,-0.1 1,-0.3 -41,-0.0 -0.103 107.2 -3.1 -46.7 119.7 73.9 74.7 44.7 83 164 N S T 3 S+ 0 0 43 1,-0.3 -60,-0.3 -3,-0.2 -1,-0.3 0.290 102.2 113.8 79.0 -4.1 72.2 75.1 41.4 84 165 N S S < S- 0 0 32 -3,-2.5 -1,-0.3 -62,-0.1 -60,-0.1 -0.468 74.5 -98.1 -87.2 163.6 74.9 77.2 39.6 85 166 N P - 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