==== 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) 28-MAR-91 1NN2 . COMPND 2 MOLECULE: NEURAMINIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: INFLUENZA A VIRUS (A/TOKYO/3/1967(H2N2 . AUTHOR J.N.VARGHESE,P.M.COLMAN . 388 1 9 9 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14680.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 227 58.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 0.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 140 36.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 9 2.3 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 0.3 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 . 28 7.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 23 5.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 5 1.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 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 . 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 0 PARALLEL BRIDGES PER LADDER . 1 1 2 1 4 5 3 1 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 . 0 0 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 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 A V 0 0 156 0, 0.0 2,-0.3 0, 0.0 105,-0.1 0.000 360.0 360.0 360.0 168.9 78.5 79.0 33.9 2 83 A E - 0 0 160 103,-0.1 2,-0.2 152,-0.0 152,-0.1 -0.909 360.0 -89.2-146.3 164.7 80.6 82.0 33.1 3 84 A Y - 0 0 61 -2,-0.3 102,-0.3 102,-0.2 2,-0.2 -0.578 38.5-111.3 -86.2 150.3 82.8 84.3 35.2 4 85 A R + 0 0 29 100,-2.0 149,-2.1 -2,-0.2 150,-0.5 -0.521 33.7 173.6 -73.7 130.8 81.6 87.4 36.9 5 86 A N - 0 0 58 147,-0.3 -1,-0.1 -2,-0.2 147,-0.1 0.287 30.3-143.8-120.2 4.4 83.0 90.5 35.4 6 87 A W + 0 0 11 1,-0.2 2,-1.7 145,-0.1 197,-0.5 0.602 40.3 155.4 37.5 35.5 80.9 93.0 37.4 7 88 A S + 0 0 58 195,-0.1 -1,-0.2 197,-0.1 145,-0.0 -0.451 29.5 107.3 -91.2 73.8 80.4 95.5 34.6 8 89 A K S S- 0 0 67 -2,-1.7 329,-0.2 -3,-0.0 195,-0.2 -0.995 75.8 -96.4-146.0 142.2 77.2 97.2 35.6 9 90 A P - 0 0 94 0, 0.0 328,-2.6 0, 0.0 2,-0.2 -0.074 46.2-102.1 -53.0 152.7 76.8 100.7 37.0 10 91 A Q B -a 337 0A 41 326,-0.2 328,-0.2 1,-0.1 2,-0.1 -0.552 46.3-105.3 -76.7 146.6 76.5 101.0 40.8 11 92 A a - 0 0 20 326,-2.2 2,-0.4 -2,-0.2 -1,-0.1 -0.475 29.4-115.9 -72.0 150.8 72.9 101.4 41.7 12 93 A Q - 0 0 124 -2,-0.1 2,-0.4 -3,-0.0 -1,-0.1 -0.747 41.8-163.3 -84.9 131.4 71.9 104.9 42.8 13 94 A I - 0 0 12 -2,-0.4 356,-0.3 1,-0.1 3,-0.1 -0.943 33.1-164.6-130.2 154.5 70.8 104.6 46.4 14 95 A T S S- 0 0 56 354,-3.0 2,-0.3 1,-0.4 355,-0.2 0.399 71.4 -64.9-102.5 -18.5 68.9 106.6 48.8 15 96 A G E S-B 368 0A 0 353,-1.2 353,-2.7 356,-0.1 -1,-0.4 -0.953 72.2 -44.9 154.8-159.8 70.1 104.8 51.9 16 97 A F E -B 367 0A 2 -2,-0.3 351,-0.2 351,-0.2 324,-0.1 -0.865 33.6-158.9-116.0 141.0 69.8 101.3 53.4 17 98 A A E -B 366 0A 32 349,-2.8 349,-2.4 -2,-0.4 355,-0.1 -0.855 38.3 -95.0-107.5 140.6 66.9 98.8 53.9 18 99 A P E +B 365 0A 77 0, 0.0 347,-0.2 0, 0.0 3,-0.1 -0.187 47.4 166.5 -49.0 141.1 66.9 95.9 56.5 19 100 A F E - 0 0 101 345,-2.2 2,-0.3 1,-0.5 346,-0.2 0.719 50.5 -16.0-131.5 -40.9 68.0 92.6 55.0 20 101 A S E -B 364 0A 25 344,-1.8 344,-2.5 63,-0.0 -1,-0.5 -0.956 39.4-178.6-162.0 164.7 68.9 89.9 57.5 21 102 A K E -B 363 0A 51 -2,-0.3 342,-0.2 342,-0.3 358,-0.0 -0.827 10.3-163.6-166.0 130.3 69.6 89.3 61.2 22 103 A D - 0 0 6 340,-1.3 341,-0.1 -2,-0.3 5,-0.1 0.512 20.4-144.5-103.8 -11.2 70.4 85.8 62.4 23 104 A N >> + 0 0 51 339,-0.6 4,-2.2 1,-0.1 3,-0.5 0.625 35.3 162.1 55.3 29.5 69.9 86.3 66.2 24 105 A S H 3> + 0 0 3 1,-0.2 4,-2.0 2,-0.2 337,-0.1 0.767 67.4 47.4 -49.4 -41.7 72.7 83.9 67.2 25 106 A I H 34 S+ 0 0 1 2,-0.2 4,-0.3 1,-0.2 -1,-0.2 0.900 112.3 47.5 -76.4 -35.2 73.2 85.1 70.8 26 107 A R H X4 S+ 0 0 150 -3,-0.5 3,-1.5 353,-0.3 -2,-0.2 0.965 115.3 47.7 -65.7 -46.5 69.5 85.1 71.9 27 108 A L H >< S+ 0 0 79 -4,-2.2 3,-2.5 1,-0.3 -2,-0.2 0.868 99.3 69.3 -58.8 -40.1 69.2 81.7 70.3 28 109 A S T 3< S+ 0 0 2 -4,-2.0 3,-0.5 1,-0.3 -1,-0.3 0.587 87.7 65.6 -58.3 -11.7 72.4 80.5 72.1 29 110 A A T < S+ 0 0 45 -3,-1.5 -1,-0.3 -4,-0.3 -2,-0.2 0.380 119.1 22.0 -92.8 6.8 70.6 80.6 75.4 30 111 A G S < S+ 0 0 70 -3,-2.5 -1,-0.3 1,-0.1 2,-0.2 -0.245 123.6 39.8-163.3 59.6 68.3 77.8 74.2 31 112 A G S S- 0 0 35 -3,-0.5 2,-1.0 2,-0.1 29,-0.3 -0.878 87.1 -90.1 168.0 164.8 70.1 75.9 71.4 32 113 A D + 0 0 96 -2,-0.2 56,-0.7 27,-0.1 2,-0.4 -0.867 57.4 164.4-105.6 97.0 73.6 74.6 70.4 33 114 A I B -E 87 0B 12 -2,-1.0 26,-2.4 54,-0.2 27,-0.3 -0.956 37.7-108.1-116.8 132.1 75.0 77.6 68.5 34 115 A W E -F 58 0C 18 52,-3.0 2,-0.4 -2,-0.4 24,-0.3 -0.208 23.8-123.2 -56.0 145.1 78.7 78.2 67.6 35 116 A V E + 0 0 0 22,-2.5 20,-2.0 324,-0.1 22,-0.3 -0.799 49.8 162.3 -87.6 127.3 80.8 80.8 69.3 36 117 A T E +F 54 0C 1 -2,-0.4 2,-0.3 18,-0.2 18,-0.2 -0.717 25.7 179.8-136.0-174.5 82.1 83.1 66.5 37 118 A R E +F 53 0C 25 16,-0.6 16,-2.6 -2,-0.2 323,-0.1 -0.890 62.2 48.1-174.7 169.7 83.7 86.5 65.6 38 119 A E E S- 0 0 7 -2,-0.3 61,-0.1 14,-0.2 2,-0.1 0.924 72.4-179.0 49.8 58.8 84.8 88.3 62.4 39 120 A P E + 0 0 2 0, 0.0 2,-0.3 0, 0.0 13,-0.3 -0.341 9.6 165.6 -75.9 162.9 81.6 87.5 60.4 40 121 A Y E -F 51 0C 1 11,-2.0 11,-2.9 107,-0.1 2,-0.4 -0.959 26.2-134.0-164.4 165.6 81.1 88.6 56.8 41 122 A V E +F 50 0C 1 -2,-0.3 107,-0.4 9,-0.2 2,-0.3 -0.992 20.2 178.4-135.0 140.5 78.6 87.8 54.1 42 123 A S E -F 49 0C 0 7,-2.1 7,-3.3 -2,-0.4 2,-0.4 -0.959 16.1-144.2-132.4 164.1 79.5 87.0 50.5 43 124 A b E -F 48 0C 9 -2,-0.3 5,-0.3 5,-0.3 60,-0.3 -0.973 3.9-148.6-142.9 124.7 77.2 86.1 47.9 44 125 A D - 0 0 17 3,-2.0 60,-0.0 -2,-0.4 64,-0.0 -0.379 50.4 -84.4 -81.9 177.3 77.3 83.7 44.9 45 126 A P S S+ 0 0 78 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 0.420 126.0 29.7 -65.6 1.3 75.2 84.5 41.7 46 127 A V S S+ 0 0 122 1,-0.4 2,-0.3 0, 0.0 -3,-0.0 0.582 126.7 4.2-127.0 -34.5 72.0 83.0 43.0 47 128 A K - 0 0 76 2,-0.0 -3,-2.0 34,-0.0 -1,-0.4 -0.960 64.8-111.1-150.1 172.7 72.1 83.4 46.8 48 129 A b E -F 43 0C 19 -2,-0.3 34,-2.5 -5,-0.3 2,-0.3 -0.810 20.3-161.1-110.6 153.4 74.0 84.8 49.8 49 130 A Y E -FG 42 81C 44 -7,-3.3 -7,-2.1 -2,-0.3 2,-0.4 -0.912 12.9-139.1-131.2 146.7 75.9 83.2 52.6 50 131 A Q E -FG 41 80C 2 30,-1.6 30,-2.3 -2,-0.3 2,-0.3 -0.868 23.4-170.1-103.7 139.9 77.0 84.3 55.9 51 132 A F E +FG 40 79C 1 -11,-2.9 -11,-2.0 -2,-0.4 2,-0.3 -0.875 9.5 167.7-125.3 155.4 80.6 83.4 57.1 52 133 A A E - G 0 78C 0 26,-1.3 26,-2.9 -2,-0.3 2,-0.8 -0.982 40.7-108.0-162.2 160.3 82.3 83.7 60.5 53 134 A L E -FG 37 77C 0 -16,-2.6 -16,-0.6 -2,-0.3 24,-0.2 -0.870 41.0-149.5 -94.6 111.1 85.4 82.4 62.2 54 135 A G E -F 36 0C 0 22,-2.7 22,-0.4 -2,-0.8 -18,-0.2 -0.384 14.8-135.3 -77.3 161.1 84.2 79.9 64.7 55 136 A Q E - 0 0 9 -20,-2.0 20,-0.2 2,-0.4 -19,-0.1 -0.076 50.1-103.8-102.2 35.0 86.1 79.3 68.0 56 137 A G E S+ 0 0 37 -21,-0.2 2,-0.3 1,-0.2 19,-0.1 0.794 95.5 72.5 49.9 32.2 85.8 75.4 67.6 57 138 A T E S- 0 0 8 -22,-0.3 -22,-2.5 7,-0.1 -2,-0.4 -0.953 77.1-114.8-163.0 168.8 83.0 75.4 70.3 58 139 A T E -F 34 0C 14 -24,-0.3 -24,-0.3 -2,-0.3 3,-0.3 -0.675 35.9-111.5-106.6 164.0 79.3 76.3 71.0 59 140 A L S S+ 0 0 0 -26,-2.4 2,-1.9 1,-0.3 5,-0.2 0.921 112.4 54.5 -70.3 -41.6 78.3 78.9 73.6 60 141 A D S S+ 0 0 97 -29,-0.3 2,-0.3 -27,-0.3 -1,-0.3 -0.598 92.1 98.5 -94.2 76.4 76.7 76.6 76.2 61 142 A N S > S- 0 0 50 -2,-1.9 3,-2.2 -3,-0.3 4,-0.3 -0.936 81.2-125.9-153.8 133.9 79.9 74.6 76.3 62 143 A K G > S+ 0 0 189 1,-0.3 3,-1.2 -2,-0.3 -3,-0.0 0.786 108.1 70.0 -63.0 -15.1 82.7 74.9 79.0 63 144 A H G 3 S+ 0 0 145 1,-0.3 -1,-0.3 -5,-0.1 -3,-0.1 0.439 79.4 76.6 -78.2 -0.9 85.1 75.4 76.1 64 145 A S G X + 0 0 0 -3,-2.2 3,-1.2 -5,-0.2 294,-0.3 0.698 67.8 111.1 -82.4 -17.1 83.6 78.8 75.4 65 146 A N T < S+ 0 0 82 -3,-1.2 292,-0.2 -4,-0.3 323,-0.0 -0.380 85.7 10.4 -59.5 127.1 85.5 80.3 78.4 66 147 A D T > S+ 0 0 86 290,-2.3 3,-0.9 1,-0.1 -1,-0.3 0.769 73.6 146.3 70.5 40.5 88.2 82.7 77.2 67 148 A T T < + 0 0 10 -3,-1.2 290,-0.1 289,-0.5 -2,-0.1 0.272 43.9 99.9 -86.9 13.1 87.2 82.9 73.5 68 149 A V T 3 + 0 0 32 288,-0.2 -1,-0.2 2,-0.0 2,-0.2 0.809 59.4 100.9 -64.2 -29.2 88.4 86.6 73.5 69 150 A H < - 0 0 93 -3,-0.9 3,-0.1 1,-0.1 289,-0.1 -0.356 66.0-151.2 -66.0 131.0 91.6 85.3 71.9 70 151 A D S S+ 0 0 78 -2,-0.2 2,-0.4 1,-0.2 -1,-0.1 0.703 75.1 46.3 -77.2 -20.7 91.7 85.8 68.2 71 152 A R + 0 0 96 -16,-0.0 -1,-0.2 3,-0.0 26,-0.1 -0.966 56.0 138.3-135.3 117.6 93.9 83.0 67.2 72 153 A I > - 0 0 55 -2,-0.4 3,-1.3 -3,-0.1 43,-0.1 -0.943 58.8-111.0-143.3 156.8 93.8 79.3 68.4 73 154 A P T 3 S+ 0 0 91 0, 0.0 23,-0.1 0, 0.0 -17,-0.1 0.717 110.5 68.4 -67.1 -15.5 94.3 76.1 66.1 74 155 A H T 3 S+ 0 0 121 -19,-0.1 2,-0.4 21,-0.1 -18,-0.1 0.337 70.3 112.9 -86.3 7.5 90.6 75.3 66.5 75 156 A R < + 0 0 0 -3,-1.3 21,-2.4 -20,-0.2 2,-0.3 -0.701 41.6 177.3 -89.4 136.7 89.2 78.2 64.5 76 157 A T E - H 0 95C 17 -2,-0.4 -22,-2.7 -22,-0.4 2,-0.7 -0.926 37.2-107.6-132.9 152.0 87.5 77.2 61.3 77 158 A L E -G 53 0C 0 17,-2.0 16,-2.9 -2,-0.3 17,-0.4 -0.760 36.6-155.6 -84.9 115.2 85.6 79.3 58.6 78 159 A L E -GH 52 92C 0 -26,-2.9 -26,-1.3 -2,-0.7 2,-0.4 -0.701 9.2-167.7 -85.0 141.8 81.9 78.4 59.1 79 160 A M E +GH 51 91C 24 12,-1.5 12,-0.7 -2,-0.3 2,-0.3 -0.989 17.0 152.3-134.0 128.0 79.7 79.0 55.9 80 161 A N E -G 50 0C 21 -30,-2.3 -30,-1.6 -2,-0.4 2,-0.2 -0.878 52.1 -82.4-142.6 170.0 75.8 78.9 56.0 81 162 A E E > -G 49 0C 88 -2,-0.3 3,-2.5 -32,-0.2 -32,-0.3 -0.599 64.6 -89.6 -75.0 145.9 72.9 80.5 53.9 82 163 A L T 3 S+ 0 0 32 -34,-2.5 -1,-0.1 1,-0.3 -34,-0.1 -0.335 116.3 23.8 -55.5 122.8 72.3 84.0 55.1 83 164 A G T 3 S+ 0 0 36 1,-0.3 -1,-0.3 -2,-0.1 -34,-0.1 0.066 93.7 101.5 107.0 -28.5 69.7 83.8 57.8 84 165 A V S < S- 0 0 52 -3,-2.5 -1,-0.3 1,-0.0 -34,-0.2 -0.819 72.8-133.6 -91.2 124.5 70.3 80.2 58.9 85 166 A P - 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0 0 0 -21,-2.4 18,-0.2 -2,-0.5 3,-0.1 -0.937 44.2-179.8-167.4 135.0 91.4 79.7 59.7 97 178 A W S S+ 0 0 13 16,-3.0 2,-0.3 1,-0.4 17,-0.1 0.162 96.5 29.2-116.0 11.0 91.8 82.4 62.3 98 179 A S E S+I 113 0D 2 15,-0.5 15,-2.0 -23,-0.1 -1,-0.4 -0.859 79.6 159.4-161.7 140.4 91.7 85.0 59.4 99 180 A S E -I 112 0D 0 -2,-0.3 47,-2.4 13,-0.2 48,-0.4 -0.929 27.5-166.0-156.0 176.9 89.8 84.6 56.0 100 181 A S E -I 111 0D 0 11,-0.9 11,-2.3 -2,-0.2 2,-0.3 -0.865 17.4-171.4-168.0 136.0 88.3 86.1 52.8 101 182 A S E +I 110 0D 0 -2,-0.3 48,-1.2 9,-0.2 2,-0.3 -0.975 10.5 161.6-135.7 150.5 85.9 84.2 50.5 102 183 A d E -I 109 0D 2 7,-1.9 7,-2.7 -2,-0.3 2,-0.5 -0.971 30.9-127.0-160.7 165.1 84.5 85.2 47.1 103 184 A H E -I 108 0D 15 -2,-0.3 5,-0.2 -60,-0.3 48,-0.2 -0.953 6.2-157.5-124.2 123.3 82.9 83.5 44.2 104 185 A D - 0 0 1 3,-1.4 -100,-2.0 -2,-0.5 2,-0.3 0.355 56.8 -93.3 -77.6 1.6 84.3 84.1 40.6 105 186 A G S S+ 0 0 4 2,-0.4 -102,-0.2 -102,-0.3 -1,-0.1 -0.490 123.5 52.8 117.6 -52.3 81.1 83.1 38.9 106 187 A K S S- 0 0 98 -2,-0.3 2,-0.3 1,-0.1 -103,-0.1 0.811 120.5 -18.8 -86.3 -32.9 82.0 79.5 38.4 107 188 A A S S- 0 0 10 21,-0.0 -3,-1.4 -5,-0.0 -2,-0.4 -0.947 71.1 -83.9-163.9 171.7 83.0 78.4 42.1 108 189 A W E -I 103 0D 32 -2,-0.3 19,-2.3 -5,-0.2 2,-0.4 -0.702 27.5-161.0 -87.2 147.8 84.0 79.7 45.6 109 190 A L E -IJ 102 126D 3 -7,-2.7 -7,-1.9 -2,-0.3 2,-0.4 -0.946 8.4-173.2-122.3 134.9 87.6 80.6 46.6 110 191 A H E -IJ 101 125D 12 15,-2.3 15,-2.0 -2,-0.4 2,-0.6 -0.986 11.0-158.4-126.8 139.2 88.3 80.7 50.4 111 192 A V E -IJ 100 124D 0 -11,-2.3 -11,-0.9 -2,-0.4 2,-0.4 -0.994 20.1-176.1-119.8 115.8 91.7 82.0 51.7 112 193 A c E -IJ 99 123D 0 11,-2.1 11,-2.5 -2,-0.6 2,-0.4 -0.938 9.6-159.2-114.8 141.7 92.1 80.6 55.1 113 194 A I E +IJ 98 122D 0 -15,-2.0 -16,-3.0 -2,-0.4 -15,-0.5 -0.980 22.1 149.2-126.2 125.5 95.0 81.3 57.4 114 195 A T E + J 0 121D 23 7,-2.5 7,-3.2 -2,-0.4 2,-0.3 -0.902 24.4 72.1-142.2 172.2 96.2 79.3 60.4 115 196 A G E S- J 0 120D 32 -2,-0.3 5,-0.3 5,-0.2 2,-0.2 -0.722 80.5 -17.3 123.2-170.8 99.3 78.5 62.1 116 197 A D E > - 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