==== 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 HYDROLASE(O-GLYCOSYL) 21-JAN-92 1NCC . COMPND 2 MOLECULE: INFLUENZA A SUBTYPE N9 NEURAMINIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: INFLUENZA A VIRUS; . AUTHOR W.R.TULIP,J.N.VARGHESE,P.M.COLMAN . 824 3 14 13 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 32497.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 522 63.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 13 1.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 296 35.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 7 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 5 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 9 1.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.1 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 11.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 59 7.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 22 2.7 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 2 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 . 2 1 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 PARALLEL BRIDGES PER LADDER . 8 6 7 8 7 12 3 0 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 2 0 8 3 2 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 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 81 N I 0 0 104 0, 0.0 4,-0.1 0, 0.0 46,-0.0 0.000 360.0 360.0 360.0 131.7 71.4 7.8 155.2 2 82 N R + 0 0 224 2,-0.0 2,-0.3 0, 0.0 106,-0.1 0.436 360.0 60.8 -61.3 5.3 70.2 5.1 157.7 3 83 N D S S- 0 0 121 104,-0.2 153,-0.1 105,-0.1 152,-0.0 -0.938 93.3-100.4-138.0 141.2 66.9 7.1 158.6 4 84 N F - 0 0 35 -2,-0.3 103,-0.3 103,-0.2 2,-0.1 -0.132 44.1-103.5 -57.2 158.8 64.1 8.1 156.2 5 85 N N - 0 0 26 101,-2.1 150,-2.8 100,-0.1 151,-0.4 -0.450 25.2-159.7 -89.8 154.8 63.9 11.7 154.9 6 86 N N - 0 0 63 148,-0.2 2,-1.3 -2,-0.1 3,-0.2 -0.991 24.7-125.8-122.0 144.2 61.7 14.6 156.0 7 87 N L + 0 0 3 -2,-0.4 199,-1.1 1,-0.2 197,-0.1 -0.698 50.3 151.8 -87.6 97.4 61.0 17.6 153.8 8 88 N T + 0 0 106 -2,-1.3 2,-0.2 197,-0.2 -1,-0.2 0.508 47.3 61.5-106.5 -10.8 62.0 20.2 156.4 9 89 N K - 0 0 45 -3,-0.2 196,-2.6 194,-0.1 2,-0.3 -0.610 69.5-135.0-108.6 171.0 63.2 23.1 154.3 10 90 N G - 0 0 20 327,-0.3 329,-1.9 194,-0.3 -2,-0.1 -0.641 45.1 -69.1-113.9 175.1 61.5 25.3 151.8 11 91 N L B -a 339 0A 19 -2,-0.3 2,-0.2 327,-0.2 -1,-0.2 -0.212 48.5-117.7 -63.3 153.4 62.7 26.3 148.4 12 92 N a - 0 0 17 327,-2.2 2,-0.4 326,-0.1 329,-0.1 -0.633 48.0 -77.4 -84.3 164.1 65.7 28.8 148.1 13 93 N T - 0 0 85 -2,-0.2 2,-0.9 1,-0.1 -1,-0.1 -0.432 46.4-146.3 -64.8 112.4 65.2 32.2 146.4 14 94 N I + 0 0 0 -2,-0.4 357,-0.2 1,-0.2 3,-0.1 -0.793 39.5 149.3 -90.5 99.0 65.2 31.4 142.6 15 95 N N S S- 0 0 33 355,-1.5 2,-0.2 -2,-0.9 356,-0.2 0.549 70.3 -17.7-106.0 -20.5 66.8 34.4 141.0 16 96 N S E S-B 370 0B 2 354,-1.3 354,-1.4 357,-0.1 2,-0.4 -0.870 70.2-109.7-161.5-163.7 68.4 32.8 137.9 17 97 N W E -B 369 0B 4 -2,-0.2 352,-0.2 352,-0.2 2,-0.2 -0.979 22.7-161.1-141.5 123.8 69.4 29.2 136.9 18 98 N H E -B 368 0B 42 350,-2.6 350,-1.6 -2,-0.4 2,-0.4 -0.611 34.5 -90.6 -94.5 173.2 72.9 27.8 136.7 19 99 N I E +B 367 0B 78 348,-0.2 348,-0.3 -2,-0.2 3,-0.1 -0.709 40.5 171.8 -84.6 132.1 73.9 24.6 134.7 20 100 N Y - 0 0 64 346,-2.7 2,-0.3 -2,-0.4 347,-0.2 0.758 61.4 -22.7-103.5 -54.2 73.9 21.5 136.7 21 101 N G - 0 0 4 345,-1.6 2,-0.4 2,-0.0 345,-0.4 -0.890 45.7-179.8-164.1 134.2 74.5 18.7 134.1 22 102 N K - 0 0 34 -2,-0.3 343,-0.2 343,-0.2 2,-0.2 -0.942 13.2-158.4-138.1 114.9 74.2 18.0 130.4 23 103 N D - 0 0 1 -2,-0.4 3,-0.2 341,-0.2 62,-0.1 -0.475 15.0-144.8 -73.8 153.2 75.2 14.6 128.9 24 104 N N >> + 0 0 46 60,-0.3 4,-2.8 -2,-0.2 3,-0.6 -0.216 41.6 156.5-114.2 48.5 75.9 15.2 125.2 25 105 N A H 3> + 0 0 4 1,-0.3 4,-1.3 2,-0.2 -1,-0.2 0.766 66.0 43.2 -50.4 -40.4 74.5 11.8 124.5 26 106 N V H 34 S+ 0 0 1 2,-0.2 4,-0.3 1,-0.2 -1,-0.3 0.894 113.5 51.6 -77.1 -37.8 73.5 12.2 120.9 27 107 N R H X4 S+ 0 0 149 -3,-0.6 3,-1.0 354,-0.3 4,-0.3 0.962 115.0 44.1 -64.2 -37.9 76.8 14.0 120.0 28 108 N I H >X S+ 0 0 61 -4,-2.8 4,-2.8 1,-0.2 3,-1.3 0.787 102.8 69.7 -76.2 -17.2 78.7 11.1 121.6 29 109 N G T 3< S+ 0 0 1 -4,-1.3 32,-0.5 -5,-0.4 -1,-0.2 0.393 77.3 74.0 -84.3 -1.8 76.4 8.5 120.0 30 110 N E T <4 S+ 0 0 60 -3,-1.0 -1,-0.3 -4,-0.3 -2,-0.1 0.674 123.0 10.8 -76.9 -15.6 77.6 9.0 116.4 31 111 N D T <4 S+ 0 0 142 -3,-1.3 2,-0.3 -4,-0.3 -2,-0.2 0.481 119.1 59.4-142.0 -13.6 80.7 7.2 117.6 32 112 N S S < S- 0 0 58 -4,-2.8 2,-1.6 1,-0.0 29,-0.3 -0.812 93.6 -94.1-102.7 174.4 80.4 5.5 121.1 33 113 N D + 0 0 71 -2,-0.3 56,-2.3 26,-0.1 2,-0.4 -0.559 57.8 165.1 -83.7 84.9 77.8 2.9 121.9 34 114 N V B -E 88 0C 2 -2,-1.6 26,-2.2 54,-0.3 2,-0.3 -0.808 33.0-123.9 -96.7 143.6 75.0 4.9 123.4 35 115 N L E -F 59 0D 22 52,-2.1 2,-0.5 -2,-0.4 24,-0.3 -0.681 25.7-110.4 -87.4 143.5 71.5 3.5 123.8 36 116 N V E + 0 0 0 22,-1.9 20,-0.9 -2,-0.3 2,-0.3 -0.538 49.6 176.2 -61.2 105.9 68.6 5.2 122.3 37 117 N T E -F 55 0D 2 -2,-0.5 2,-0.3 18,-0.2 18,-0.2 -0.790 15.5-179.2-110.6 168.8 66.6 6.6 125.3 38 118 N R E +F 54 0D 31 16,-1.8 16,-2.4 -2,-0.3 324,-0.1 -0.916 58.9 40.0-149.3 175.0 63.6 8.7 125.7 39 119 N E E S- 0 0 12 -2,-0.3 15,-0.5 14,-0.2 -1,-0.2 0.949 73.4-168.5 44.2 74.3 61.8 10.1 128.7 40 120 N P E + 0 0 0 0, 0.0 13,-0.3 0, 0.0 2,-0.3 -0.507 15.4 171.5 -79.0 154.1 64.6 11.1 131.0 41 121 N Y E -F 52 0D 0 11,-1.4 11,-2.9 -2,-0.2 2,-0.4 -0.896 22.4-139.7-148.4 177.9 64.6 12.2 134.5 42 122 N V E +F 51 0D 0 -2,-0.3 108,-0.4 9,-0.3 2,-0.3 -0.966 23.3 174.4-136.6 130.4 67.2 12.8 137.1 43 123 N S E -F 50 0D 0 7,-2.1 7,-1.2 -2,-0.4 2,-0.1 -0.983 19.2-133.8-140.8 140.5 66.8 11.7 140.7 44 124 N b E -F 49 0D 0 286,-0.5 61,-0.5 -2,-0.3 5,-0.3 -0.420 6.4-158.2 -97.5 155.3 69.3 11.8 143.7 45 125 N D - 0 0 35 3,-2.8 288,-0.2 -2,-0.1 64,-0.1 -0.607 45.6 -99.7-105.6 168.5 70.4 9.4 146.3 46 126 N P S S+ 0 0 31 0, 0.0 3,-0.1 0, 0.0 62,-0.0 0.869 126.9 38.8 -57.9 -30.3 71.9 10.7 149.6 47 127 N D S S- 0 0 145 1,-0.2 2,-0.3 -46,-0.0 -3,-0.0 0.541 125.9 -0.7-102.9 -12.3 75.2 9.8 147.9 48 128 N E - 0 0 77 2,-0.0 -3,-2.8 34,-0.0 2,-0.4 -0.961 54.8-128.7-164.7 155.2 74.9 10.8 144.2 49 129 N b E -F 44 0D 11 -2,-0.3 34,-0.7 -5,-0.3 2,-0.3 -0.916 31.3-177.8-102.8 148.1 72.6 12.2 141.6 50 130 N R E -FG 43 82D 19 -7,-1.2 -7,-2.1 -2,-0.4 2,-0.1 -0.994 26.7-118.2-143.0 145.2 72.0 10.3 138.3 51 131 N F E -FG 42 81D 0 30,-1.0 30,-1.4 -2,-0.3 -9,-0.3 -0.428 31.5-170.0 -74.6 153.0 70.1 10.7 135.1 52 132 N Y E +FG 41 80D 0 -11,-2.9 -11,-1.4 28,-0.2 2,-0.3 -0.810 13.1 156.5-131.8 166.5 67.5 8.1 134.3 53 133 N A E - G 0 79D 0 26,-0.7 26,-2.2 -13,-0.3 2,-0.5 -0.833 48.1 -89.2 179.0 163.6 65.5 7.5 131.1 54 134 N L E -FG 38 78D 0 -16,-2.4 -16,-1.8 -15,-0.5 24,-0.2 -0.753 44.0-143.1 -81.2 125.1 63.6 4.7 129.4 55 135 N S E -F 37 0D 9 22,-2.8 -18,-0.2 -2,-0.5 20,-0.1 -0.340 9.0-151.3 -81.9 169.7 66.0 2.6 127.1 56 136 N Q E - 0 0 18 -20,-0.9 20,-0.2 2,-0.3 -19,-0.1 0.112 42.2-113.1-128.1 23.6 64.9 1.2 123.7 57 137 N G E S+ 0 0 47 -21,-0.2 2,-0.3 1,-0.1 19,-0.1 0.864 87.0 76.1 53.7 42.7 67.3 -1.8 123.7 58 138 N T E S- 0 0 13 -22,-0.2 -22,-1.9 7,-0.1 -2,-0.3 -0.946 79.9-106.3-169.1 158.3 69.5 -0.7 120.8 59 139 N T E -F 35 0D 34 -2,-0.3 -24,-0.3 -24,-0.3 5,-0.1 -0.548 33.6-109.6 -89.0 159.7 72.2 1.8 120.3 60 140 N I S S+ 0 0 3 -26,-2.2 5,-0.2 1,-0.2 -1,-0.1 0.985 119.4 38.1 -48.1 -56.9 71.8 5.1 118.3 61 141 N R S S+ 0 0 112 -32,-0.5 -1,-0.2 -29,-0.3 2,-0.2 0.739 95.4 96.5 -78.5 -19.0 73.9 3.7 115.5 62 142 N G S > S- 0 0 24 1,-0.1 3,-1.8 2,-0.1 4,-0.2 -0.415 84.4-110.7 -72.1 149.7 72.8 0.1 115.4 63 143 N K G > S+ 0 0 194 1,-0.3 3,-0.9 -2,-0.2 -1,-0.1 0.611 109.2 65.5 -51.2 -16.4 70.2 -1.2 112.9 64 144 N H G 3 S+ 0 0 156 1,-0.3 -1,-0.3 -5,-0.1 -2,-0.1 0.221 79.9 80.4 -96.1 8.8 67.4 -1.8 115.5 65 145 N S G X + 0 0 9 -3,-1.8 3,-1.4 -5,-0.2 2,-0.5 0.465 63.4 110.6 -88.5 -10.0 67.2 1.9 116.3 66 146 N N T < S+ 0 0 92 -3,-0.9 293,-0.2 1,-0.3 292,-0.0 -0.595 86.4 16.1 -66.7 119.3 65.1 2.2 113.3 67 147 N G T > S+ 0 0 23 291,-2.7 3,-1.6 -2,-0.5 -1,-0.3 0.660 71.7 142.7 89.4 27.1 61.6 2.9 114.7 68 148 N T T < + 0 0 5 -3,-1.4 291,-0.1 290,-0.3 -2,-0.1 0.255 54.8 89.6 -81.0 9.0 62.3 3.9 118.4 69 149 N I T 3 + 0 0 52 289,-0.2 2,-0.8 3,-0.0 -1,-0.3 0.645 61.3 101.1 -74.4 -26.4 59.6 6.4 118.0 70 150 N H < - 0 0 128 -3,-1.6 290,-0.1 1,-0.2 3,-0.0 -0.688 66.5-154.2 -72.7 113.5 57.3 3.7 119.2 71 151 N D S S+ 0 0 83 -2,-0.8 2,-0.5 1,-0.1 -1,-0.2 0.711 73.0 47.9 -50.1 -43.8 56.7 4.5 122.8 72 152 N R + 0 0 96 2,-0.0 2,-0.3 -3,-0.0 -1,-0.1 -0.941 58.7 132.8-123.9 125.5 56.0 1.0 123.9 73 153 N S > - 0 0 25 -2,-0.5 3,-0.8 45,-0.0 25,-0.1 -0.960 61.9-109.0-154.1 158.1 57.8 -2.3 123.2 74 154 N Q T 3 S+ 0 0 147 -2,-0.3 -18,-0.0 1,-0.2 -2,-0.0 0.043 109.0 75.1 -81.8 31.7 58.8 -5.2 125.5 75 155 N Y T 3 S+ 0 0 161 -20,-0.1 2,-0.4 22,-0.0 -1,-0.2 0.167 72.3 99.6-122.5 17.3 62.5 -3.9 124.9 76 156 N R < + 0 0 3 -3,-0.8 22,-2.1 -20,-0.2 2,-0.3 -0.891 42.6 175.0-112.0 129.4 62.5 -0.8 127.2 77 157 N A E - H 0 97D 8 -2,-0.4 -22,-2.8 20,-0.2 2,-0.6 -0.842 38.5-108.5-123.7 168.8 63.9 -0.5 130.8 78 158 N L E -GH 54 96D 0 18,-2.0 17,-3.2 -2,-0.3 18,-0.9 -0.893 49.3-179.9 -94.7 122.6 64.4 2.2 133.3 79 159 N I E -GH 53 94D 3 -26,-2.2 -26,-0.7 -2,-0.6 2,-0.3 -0.928 17.1-157.9-127.1 149.5 68.2 2.7 133.3 80 160 N S E +GH 52 93D 0 13,-2.0 13,-2.7 -2,-0.3 -28,-0.2 -0.908 11.2 174.3-124.2 160.0 70.5 5.0 135.2 81 161 N W E -G 51 0D 0 -30,-1.4 -30,-1.0 -2,-0.3 3,-0.1 -0.936 44.3 -75.5-157.1 154.2 74.0 6.2 134.4 82 162 N P E > -G 50 0D 47 0, 0.0 3,-1.9 0, 0.0 -32,-0.2 -0.209 68.2 -71.6 -61.7 157.5 76.3 8.8 136.2 83 163 N L T 3 S- 0 0 57 -34,-0.7 -61,-0.1 1,-0.3 -33,-0.1 -0.172 114.1 -4.0 -57.0 127.5 75.6 12.5 135.9 84 164 N S T 3 S+ 0 0 50 1,-0.2 -60,-0.3 -3,-0.1 -1,-0.3 0.620 101.0 116.1 61.1 19.8 76.5 13.8 132.5 85 165 N S S < S- 0 0 34 -3,-1.9 -1,-0.2 -62,-0.1 -60,-0.1 -0.744 74.8-102.7 -95.9 159.4 77.9 10.5 131.2 86 166 N P - 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