==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 10-MAY-06 2CML . COMPND 2 MOLECULE: NEURAMINIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: INFLUENZA A VIRUS; . AUTHOR E.RUDINO-PINERA,P.TUNNAH,P.LUKACIK,S.J.CRENNELL,R.G.WEBSTER, . 1556 4 36 36 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 46701.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 905 58.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 8 0.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 502 32.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 8 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 24 1.5 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 . 123 7.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 99 6.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 31 2.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 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 4 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 . 4 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 . 11 4 0 13 6 35 4 2 4 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 22 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 88 A R 0 0 155 0, 0.0 2,-0.3 0, 0.0 106,-0.1 0.000 360.0 360.0 360.0 136.6 32.3 -25.2 62.6 2 89 A T - 0 0 113 104,-0.3 2,-0.2 0, 0.0 153,-0.1 -0.915 360.0 -86.0-132.2 155.3 33.2 -25.5 58.9 3 90 A F - 0 0 63 -2,-0.3 103,-0.3 103,-0.1 2,-0.2 -0.489 49.9-116.9 -54.1 129.4 34.3 -23.1 56.1 4 91 A L - 0 0 16 101,-1.9 150,-2.5 -2,-0.2 151,-0.7 -0.489 28.5-163.2 -59.8 137.6 31.3 -21.5 54.4 5 92 A N - 0 0 62 148,-0.3 3,-0.2 -2,-0.2 148,-0.1 -0.914 19.2-134.6-123.3 162.5 30.8 -22.3 50.8 6 93 A L + 0 0 0 -2,-0.3 199,-2.6 1,-0.2 200,-0.3 -0.008 60.9 123.5-106.7 28.3 28.6 -20.3 48.5 7 94 A T + 0 0 99 197,-0.3 -1,-0.2 196,-0.2 196,-0.0 0.433 48.0 97.1 -78.6 6.1 26.7 -23.1 46.6 8 95 A K S S- 0 0 73 -3,-0.2 196,-2.9 1,-0.1 197,-0.2 -0.603 74.6-119.0 -89.2 154.3 23.2 -21.9 47.5 9 96 A P - 0 0 80 0, 0.0 330,-2.8 0, 0.0 2,-0.2 -0.460 34.5 -92.7 -81.4 168.3 21.2 -19.7 45.1 10 97 A L B -a 339 0A 13 328,-0.2 330,-0.2 -2,-0.1 2,-0.1 -0.510 45.4-110.5 -69.7 146.4 19.9 -16.2 45.9 11 98 A a - 0 0 9 328,-2.7 2,-0.2 -2,-0.2 -1,-0.1 -0.449 32.0-100.9 -74.6 150.3 16.4 -16.0 47.4 12 99 A E - 0 0 89 -2,-0.1 2,-0.5 357,-0.1 -1,-0.1 -0.512 40.4-161.1 -62.5 134.8 13.5 -14.5 45.5 13 100 A V + 0 0 1 -2,-0.2 358,-0.3 1,-0.1 3,-0.1 -0.966 28.3 160.6-132.4 115.1 12.9 -10.9 46.7 14 101 A N S S- 0 0 54 356,-3.5 2,-0.3 -2,-0.5 357,-0.2 0.544 74.9 -8.6-105.5 -11.9 9.7 -9.0 46.1 15 102 A S E S-B 370 0B 6 355,-1.5 355,-2.4 358,-0.1 2,-0.4 -0.945 73.3 -99.5-166.6 179.6 10.1 -6.4 48.8 16 103 A W E -B 369 0B 4 -2,-0.3 2,-0.2 358,-0.2 353,-0.2 -0.959 23.6-156.0-122.0 127.5 12.4 -5.4 51.8 17 104 A H E -B 368 0B 3 351,-2.5 351,-2.0 -2,-0.4 2,-0.3 -0.653 32.5-100.6-100.9 152.4 11.8 -6.0 55.5 18 105 A I E +B 367 0B 8 -2,-0.2 468,-0.2 349,-0.2 349,-0.2 -0.510 41.5 171.7 -74.3 125.7 13.4 -3.9 58.3 19 106 A L E - 0 0 7 347,-3.3 2,-0.3 1,-0.4 348,-0.2 0.797 59.1 -21.5 -98.7 -49.4 16.4 -5.8 59.9 20 107 A S E -B 366 0B 2 346,-1.8 346,-2.7 465,-0.1 -1,-0.4 -0.988 45.9-174.5-159.4 155.9 18.0 -3.3 62.2 21 108 A K E -B 365 0B 3 -2,-0.3 344,-0.2 344,-0.2 64,-0.0 -0.921 8.2-164.1-154.1 133.6 18.4 0.5 62.9 22 109 A D - 0 0 4 342,-1.9 5,-0.1 -2,-0.3 343,-0.1 0.647 16.8-149.1-101.4 -13.7 20.7 2.0 65.6 23 110 A N > + 0 0 7 341,-0.5 4,-2.4 1,-0.1 5,-0.2 0.858 36.0 162.6 48.7 43.8 19.3 5.5 66.0 24 111 A A H > + 0 0 3 1,-0.2 4,-2.8 2,-0.2 339,-0.1 0.822 65.1 48.3 -67.1 -41.1 23.0 6.6 66.8 25 112 A I H > S+ 0 0 2 2,-0.2 4,-0.7 1,-0.2 -1,-0.2 0.889 113.1 48.4 -69.5 -40.9 22.7 10.3 66.2 26 113 A R H >4 S+ 0 0 19 355,-0.3 3,-0.7 2,-0.2 422,-0.3 0.951 120.0 37.6 -63.3 -49.9 19.5 10.6 68.3 27 114 A I H >X S+ 0 0 13 -4,-2.4 4,-2.6 1,-0.2 3,-1.6 0.874 112.1 60.7 -66.1 -35.5 21.0 8.6 71.2 28 115 A G H 3< S+ 0 0 0 -4,-2.8 5,-0.3 1,-0.3 32,-0.3 0.561 84.5 77.4 -75.4 -6.9 24.4 10.3 70.6 29 116 A E T << S+ 0 0 15 -3,-0.7 -1,-0.3 -4,-0.7 -2,-0.2 0.784 121.2 3.4 -63.4 -28.6 22.9 13.7 71.3 30 117 A D T <4 S+ 0 0 42 -3,-1.6 -2,-0.2 -4,-0.3 -3,-0.1 0.653 121.3 61.5-128.2 -38.1 23.1 12.7 75.1 31 118 A A S < S- 0 0 2 -4,-2.6 2,-1.3 1,-0.1 29,-0.3 -0.175 99.2 -84.8 -96.6-169.5 24.7 9.3 75.7 32 119 A H + 0 0 15 26,-0.1 2,-0.5 27,-0.1 57,-0.3 -0.600 58.9 166.9-109.7 85.1 28.3 8.6 74.8 33 120 A I - 0 0 3 -2,-1.3 26,-2.8 -5,-0.3 54,-0.3 -0.815 33.7-121.4-105.4 125.8 28.2 7.6 71.2 34 121 A L B -E 58 0C 7 52,-2.3 2,-0.4 -2,-0.5 24,-0.3 -0.251 26.2-113.7 -53.5 141.6 31.4 7.4 69.1 35 122 A V + 0 0 0 22,-3.5 20,-2.5 326,-0.1 21,-0.4 -0.700 52.0 161.9 -77.8 136.4 31.6 9.6 65.9 36 123 A T + 0 0 3 -2,-0.4 2,-0.3 18,-0.2 18,-0.2 -0.757 24.6 175.7-141.3-179.1 31.7 7.3 62.9 37 124 A R + 0 0 24 16,-0.4 16,-2.6 -2,-0.2 325,-0.1 -0.880 61.2 53.0 178.8 172.8 31.3 6.9 59.0 38 125 A E S S+ 0 0 8 -2,-0.3 62,-0.1 14,-0.2 16,-0.1 0.899 74.6 174.2 50.7 54.3 31.7 4.2 56.4 39 126 A P + 0 0 0 0, 0.0 2,-0.3 0, 0.0 13,-0.3 -0.234 10.8 154.6 -84.0 174.0 29.5 1.6 58.3 40 127 A Y E -F 51 0D 0 11,-1.9 11,-2.5 108,-0.1 2,-0.3 -0.941 33.3-109.8-172.5 178.6 28.3 -1.8 57.2 41 128 A L E -F 50 0D 0 -2,-0.3 108,-0.5 9,-0.2 2,-0.3 -0.921 23.4-177.2-123.2 156.0 27.1 -5.1 58.6 42 129 A S E -F 49 0D 0 7,-2.1 7,-2.7 -2,-0.3 2,-0.2 -0.974 10.2-151.8-150.0 141.2 28.7 -8.6 58.6 43 130 A b E +F 48 0D 1 287,-0.4 61,-0.4 -2,-0.3 5,-0.2 -0.591 11.3 179.8-111.1 166.4 27.5 -12.0 59.9 44 131 A D E > -F 47 0D 25 3,-2.4 3,-0.7 -2,-0.2 289,-0.2 -0.845 58.1 -71.6-148.9-178.1 29.0 -15.2 61.3 45 132 A P T 3 S+ 0 0 30 0, 0.0 3,-0.1 0, 0.0 -2,-0.0 0.737 130.7 51.5 -55.2 -15.7 27.5 -18.5 62.5 46 133 A Q T 3 S- 0 0 137 1,-0.2 2,-0.3 473,-0.0 -3,-0.0 0.738 120.5 -78.3 -96.2 -26.0 26.2 -16.6 65.7 47 134 A G E < -F 44 0D 17 -3,-0.7 -3,-2.4 2,-0.0 2,-0.3 -0.947 59.4 -58.1 161.6-140.7 24.3 -13.6 64.2 48 135 A b E -F 43 0D 18 -2,-0.3 34,-1.4 -5,-0.2 2,-0.3 -0.978 34.9-161.4-140.7 151.9 25.3 -10.2 62.7 49 136 A R E -FG 42 81D 40 -7,-2.7 -7,-2.1 -2,-0.3 2,-0.3 -0.864 20.3-122.3-132.3 157.0 27.3 -7.1 63.8 50 137 A M E -FG 41 80D 0 30,-2.0 30,-1.4 -2,-0.3 2,-0.3 -0.685 28.7-167.6 -92.8 152.5 27.5 -3.5 62.7 51 138 A F E +FG 40 79D 0 -11,-2.5 -11,-1.9 -2,-0.3 2,-0.3 -0.919 14.8 152.0-137.0 154.1 31.0 -2.2 61.7 52 139 A A E - G 0 78D 0 26,-1.6 26,-2.6 -2,-0.3 2,-0.9 -0.941 47.6 -92.3-173.3 168.4 32.2 1.4 61.0 53 140 A L E - G 0 77D 0 -16,-2.6 -16,-0.4 -2,-0.3 24,-0.2 -0.811 40.2-148.3 -96.6 104.9 35.2 3.7 61.1 54 141 A S E - G 0 76D 7 22,-2.7 22,-0.5 -2,-0.9 -18,-0.2 -0.285 9.2-147.0 -59.8 154.1 35.4 5.4 64.4 55 142 A Q - 0 0 9 -20,-2.5 20,-0.1 2,-0.4 -19,-0.1 0.313 43.7-112.3-103.7 8.2 36.8 8.9 64.5 56 143 A G S S+ 0 0 2 -21,-0.4 2,-0.3 1,-0.2 751,-0.1 0.840 89.5 80.6 61.3 37.2 38.3 8.3 68.0 57 144 A T S S- 0 0 0 -22,-0.3 -22,-3.5 749,-0.1 -2,-0.4 -0.955 79.2-110.2-159.3 154.0 35.9 10.8 69.7 58 145 A T B -E 34 0C 0 -24,-0.3 -24,-0.3 748,-0.3 6,-0.1 -0.459 32.9-112.4 -83.1 162.2 32.3 10.9 70.9 59 146 A L S S+ 0 0 4 -26,-2.8 5,-0.1 1,-0.2 -25,-0.1 0.882 118.4 41.2 -63.6 -43.2 29.5 13.0 69.1 60 147 A R S S+ 0 0 88 -32,-0.3 -1,-0.2 -29,-0.3 -26,-0.1 0.641 95.8 107.8 -79.7 -15.7 29.1 15.5 72.0 61 148 A G S > S- 0 0 4 1,-0.1 3,-1.9 2,-0.1 4,-0.2 -0.360 80.6-122.7 -61.7 142.9 32.9 15.6 72.6 62 149 A R G > S+ 0 0 129 1,-0.3 3,-1.1 2,-0.2 -1,-0.1 0.695 109.9 69.1 -51.9 -28.7 34.8 18.7 71.5 63 150 A H G 3 S+ 0 0 6 743,-0.3 -1,-0.3 1,-0.2 -4,-0.1 0.495 75.2 83.9 -73.8 -5.2 36.9 16.5 69.3 64 151 A A G X + 0 0 2 -3,-1.9 3,-2.2 -6,-0.1 296,-0.3 0.812 68.0 102.6 -63.5 -32.8 33.9 16.0 67.0 65 152 A N T < S+ 0 0 78 -3,-1.1 294,-0.2 1,-0.3 293,-0.0 -0.342 86.9 18.8 -47.7 114.6 34.9 19.3 65.5 66 153 A G T > S+ 0 0 38 292,-2.2 3,-1.7 -2,-0.2 -1,-0.3 0.505 78.3 133.7 98.3 4.8 36.7 18.5 62.2 67 154 A T T < + 0 0 5 -3,-2.2 292,-0.1 291,-0.4 -2,-0.1 0.492 54.2 81.8 -76.1 -1.0 35.2 15.0 61.7 68 155 A I T 3 S+ 0 0 78 290,-0.4 -1,-0.3 284,-0.0 291,-0.1 0.834 72.3 101.1 -52.2 -36.7 34.4 15.7 58.0 69 156 A H < - 0 0 111 -3,-1.7 291,-0.1 1,-0.1 3,-0.1 -0.306 67.4-151.2 -64.3 128.5 38.1 14.9 57.5 70 157 A D + 0 0 75 1,-0.1 2,-0.5 -2,-0.1 -1,-0.1 0.727 67.8 41.9 -72.1 -34.3 38.6 11.3 56.1 71 158 A R + 0 0 60 3,-0.0 -1,-0.1 44,-0.0 47,-0.1 -0.974 60.5 140.0-137.5 116.1 42.0 10.0 57.3 72 159 A S > - 0 0 13 -2,-0.5 3,-1.1 -3,-0.1 44,-0.1 -0.973 59.8-109.6-151.7 162.7 43.7 10.3 60.7 73 160 A P T 3 S+ 0 0 14 0, 0.0 -17,-0.0 0, 0.0 1084,-0.0 0.498 112.8 68.4 -69.2 0.4 45.8 8.3 63.1 74 161 A F T 3 S+ 0 0 22 -19,-0.1 2,-0.3 1088,-0.1 727,-0.0 0.300 77.9 97.3-105.9 12.2 42.6 8.3 65.3 75 162 A R < + 0 0 2 -3,-1.1 22,-1.6 -20,-0.1 2,-0.3 -0.732 42.9 167.4-106.0 143.2 40.4 6.1 63.3 76 163 A A E -GH 54 96D 6 -22,-0.5 -22,-2.7 -2,-0.3 2,-0.6 -0.990 40.6-105.4-148.9 153.2 39.7 2.4 63.8 77 164 A L E -GH 53 95D 0 18,-1.9 17,-3.5 -2,-0.3 18,-1.0 -0.724 43.0-174.9 -77.2 119.1 37.3 -0.2 62.5 78 165 A I E -GH 52 93D 6 -26,-2.6 -26,-1.6 -2,-0.6 2,-0.3 -0.857 8.4-167.8-114.6 152.8 34.9 -1.0 65.4 79 166 A S E +GH 51 92D 0 13,-1.7 13,-3.4 -2,-0.3 2,-0.3 -0.904 11.8 165.6-135.8 157.8 32.2 -3.7 65.5 80 167 A W E -G 50 0D 0 -30,-1.4 -30,-2.0 -2,-0.3 11,-0.1 -0.956 46.9 -57.2-168.2 168.5 29.3 -4.1 68.0 81 168 A E E > -G 49 0D 73 9,-0.4 3,-1.2 -2,-0.3 -32,-0.2 -0.356 66.4 -97.8 -68.1 131.3 26.0 -6.0 68.4 82 169 A M T 3 S+ 0 0 25 -34,-1.4 401,-0.4 1,-0.2 -1,-0.1 -0.259 106.5 20.6 -51.3 126.2 23.5 -5.3 65.6 83 170 A G T 3 S+ 0 0 5 1,-0.4 -1,-0.2 -3,-0.1 281,-0.1 -0.294 95.7 102.3 113.9 -43.0 21.0 -2.6 66.8 84 171 A Q S < S- 0 0 26 -3,-1.2 -1,-0.4 -2,-0.1 -60,-0.1 -0.283 76.5-112.5 -61.1 155.7 22.9 -1.0 69.6 85 172 A A - 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0 0 2 3,-2.5 -101,-1.9 -2,-0.4 50,-0.3 0.353 55.6 -94.2 -92.8 8.8 35.0 -17.6 56.7 106 193 A G S S+ 0 0 0 -103,-0.3 -104,-0.3 2,-0.2 -103,-0.1 -0.090 124.7 50.5 97.5 -31.2 32.8 -20.0 58.8 107 194 A M S S- 0 0 73 1,-0.4 2,-0.3 -106,-0.1 -104,-0.1 0.843 121.9 -13.6 -96.3 -54.0 35.7 -20.6 61.2 108 195 A S - 0 0 38 -5,-0.0 -3,-2.5 -64,-0.0 2,-0.4 -0.936 69.1 -97.1-148.3 164.0 37.0 -17.1 62.1 109 196 A R E -I 104 0E 25 -2,-0.3 19,-1.8 -5,-0.2 20,-0.7 -0.774 24.6-156.9 -92.9 134.2 36.7 -13.4 61.2 110 197 A M E -IJ 103 127E 2 -7,-3.2 -7,-2.4 -2,-0.4 2,-0.4 -0.934 14.2-177.2-104.4 126.0 39.2 -11.6 59.0 111 198 A S E -IJ 102 126E 1 15,-1.4 15,-3.0 -2,-0.5 2,-0.4 -0.973 4.7-167.7-124.7 141.6 39.4 -7.8 59.3 112 199 A I E +IJ 101 125E 0 -11,-2.8 -11,-1.5 -2,-0.4 2,-0.4 -0.996 5.6 179.9-135.8 129.8 41.6 -5.5 57.3 113 200 A c E -IJ 100 124E 2 11,-1.4 11,-1.4 -2,-0.4 2,-0.4 -0.999 16.4-147.9-129.8 135.0 42.4 -1.8 57.9 114 201 A M E +IJ 99 123E 0 -15,-2.3 -16,-2.7 -2,-0.4 -15,-0.8 -0.787 28.4 159.9 -89.0 140.7 44.6 0.6 55.9 115 202 A S E + J 0 122E 4 7,-1.5 7,-2.2 -2,-0.4 28,-0.1 -0.882 22.4 77.2-142.2-177.7 46.4 3.4 57.9 116 203 A G S S- 0 0 3 -2,-0.3 5,-0.3 5,-0.2 1041,-0.1 -0.474 82.0 -41.6 108.1-179.1 49.4 5.7 57.3 117 204 A P > - 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