==== 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 06-OCT-04 1XOE . COMPND 2 MOLECULE: NEURAMINIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: INFLUENZA A VIRUS; . AUTHOR G.T.WANG,S.WANG,R.GENTLES,T.SOWIN,C.J.MARING,D.J.KEMPF,W.M.K . 387 1 9 9 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14593.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 228 58.9 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 . 124 32.0 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 . 6 1.6 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 . 37 9.6 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 . 7 1.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 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 . 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 . 3 2 0 5 2 7 0 0 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 5 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 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 84 A D 0 0 178 0, 0.0 2,-0.1 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 160.1 13.9 12.1 30.0 2 85 A F - 0 0 29 1,-0.1 103,-0.3 103,-0.1 2,-0.2 -0.379 360.0-104.7 -67.4 150.4 16.1 13.7 32.6 3 86 A N - 0 0 29 101,-2.6 150,-2.4 -2,-0.1 151,-0.5 -0.544 32.8-155.1 -79.5 144.1 14.7 16.9 34.1 4 87 A N - 0 0 56 148,-0.2 2,-2.2 -2,-0.2 3,-0.2 -0.969 22.2-122.2-122.5 136.2 16.3 20.2 33.0 5 88 A L + 0 0 2 -2,-0.4 199,-2.3 1,-0.2 200,-0.1 -0.495 56.5 143.6 -75.8 78.1 16.3 23.4 35.0 6 89 A T + 0 0 91 -2,-2.2 2,-0.2 197,-0.2 -1,-0.2 0.519 46.0 74.7 -96.7 -8.0 14.5 25.5 32.4 7 90 A K - 0 0 45 -3,-0.2 196,-2.2 194,-0.1 2,-0.2 -0.668 68.6-132.5-107.7 162.7 12.4 27.8 34.6 8 91 A G - 0 0 10 327,-0.5 329,-3.4 -2,-0.2 2,-0.2 -0.531 44.0 -78.7-100.0 173.6 13.1 30.8 36.8 9 92 A L B -a 337 0A 16 327,-0.2 329,-0.2 -2,-0.2 -1,-0.1 -0.498 46.9-115.0 -74.9 140.9 11.8 31.2 40.3 10 93 A a - 0 0 15 327,-3.1 2,-0.4 -2,-0.2 329,-0.2 -0.334 46.9 -84.7 -66.9 158.6 8.2 32.3 40.7 11 94 A T - 0 0 80 1,-0.1 2,-1.0 356,-0.1 3,-0.1 -0.563 42.0-140.8 -72.1 122.7 7.8 35.8 42.3 12 95 A I + 0 0 0 -2,-0.4 357,-0.2 1,-0.2 3,-0.1 -0.720 41.3 150.1 -89.3 96.3 7.9 35.4 46.1 13 96 A N S S- 0 0 26 355,-2.2 2,-0.3 -2,-1.0 356,-0.2 0.551 73.2 -28.4-101.1 -10.3 5.3 37.8 47.7 14 97 A S E -B 368 0B 2 354,-0.9 354,-2.1 -3,-0.1 2,-0.4 -0.955 67.7 -95.1-179.9-174.1 4.6 35.6 50.7 15 98 A W E -B 367 0B 4 -2,-0.3 2,-0.3 352,-0.3 352,-0.3 -0.987 23.4-159.2-131.4 131.7 4.5 31.9 51.9 16 99 A H E -B 366 0B 44 350,-3.1 350,-1.9 -2,-0.4 2,-0.2 -0.748 36.5 -94.6-104.5 155.4 1.7 29.5 52.1 17 100 A I E +B 365 0B 65 -2,-0.3 348,-0.3 348,-0.2 3,-0.1 -0.496 43.3 172.7 -68.2 131.2 1.6 26.4 54.3 18 101 A Y E - 0 0 61 346,-3.2 2,-0.3 1,-0.3 347,-0.2 0.771 57.7 -17.3-107.6 -45.3 2.8 23.3 52.3 19 102 A G E +B 364 0B 4 345,-1.8 345,-2.6 63,-0.0 -1,-0.3 -0.968 47.6 176.6-166.5 149.6 3.0 20.5 54.8 20 103 A K E -B 363 0B 29 -2,-0.3 343,-0.2 343,-0.2 359,-0.0 -0.957 8.4-169.8-155.2 136.6 3.2 19.7 58.5 21 104 A D - 0 0 2 341,-1.3 5,-0.2 -2,-0.3 342,-0.1 0.495 20.8-147.1-111.4 -4.9 3.2 16.2 60.1 22 105 A N > + 0 0 56 340,-0.6 4,-2.1 1,-0.1 5,-0.2 0.847 36.5 165.8 41.3 40.0 2.7 17.0 63.8 23 106 A A H > + 0 0 2 1,-0.2 4,-3.3 2,-0.2 5,-0.2 0.882 64.0 46.9 -54.8 -48.0 5.0 14.0 64.4 24 107 A V H > S+ 0 0 2 2,-0.2 4,-0.7 1,-0.2 -1,-0.2 0.909 112.2 49.8 -64.8 -42.5 5.8 14.5 68.1 25 108 A R H 4 S+ 0 0 136 354,-0.3 3,-0.4 1,-0.2 4,-0.2 0.913 118.8 39.6 -59.4 -46.2 2.2 15.2 69.1 26 109 A I H >< S+ 0 0 73 -4,-2.1 3,-2.1 1,-0.2 -2,-0.2 0.901 108.6 59.4 -71.6 -44.1 1.1 12.1 67.3 27 110 A G H >< S+ 0 0 0 -4,-3.3 3,-0.8 1,-0.3 32,-0.4 0.636 84.9 83.0 -61.4 -13.1 4.0 9.9 68.3 28 111 A E T 3< S+ 0 0 58 -4,-0.7 -1,-0.3 -3,-0.4 -2,-0.2 0.815 113.8 13.1 -60.2 -29.2 3.0 10.5 71.9 29 112 A D T < S+ 0 0 138 -3,-2.1 2,-0.3 -4,-0.2 -1,-0.2 -0.118 124.4 58.3-141.4 37.5 0.5 7.7 71.4 30 113 A S S < S- 0 0 43 -3,-0.8 2,-1.9 2,-0.1 29,-0.3 -0.961 93.9 -85.1-156.9 167.0 1.5 5.9 68.2 31 114 A D + 0 0 71 -2,-0.3 56,-1.9 26,-0.1 2,-0.4 -0.500 62.5 155.8 -83.3 75.6 4.5 4.1 66.7 32 115 A V B -E 86 0C 2 -2,-1.9 26,-2.1 -5,-0.3 54,-0.3 -0.849 39.0-122.7-103.4 134.6 6.4 7.1 65.3 33 116 A L B -F 57 0D 22 52,-3.5 2,-0.4 -2,-0.4 24,-0.3 -0.394 21.1-115.0 -75.7 149.7 10.1 6.9 64.8 34 117 A V + 0 0 0 22,-2.6 20,-1.9 -2,-0.1 21,-0.3 -0.680 50.4 159.8 -81.0 135.5 12.6 9.3 66.4 35 118 A T + 0 0 2 -2,-0.4 2,-0.3 18,-0.2 18,-0.2 -0.808 21.6 179.3-143.2-175.5 14.3 11.3 63.7 36 119 A R + 0 0 26 16,-0.3 16,-2.2 -2,-0.3 324,-0.1 -0.903 61.2 50.9-178.0 168.9 16.3 14.5 63.0 37 120 A E S S+ 0 0 9 -2,-0.3 2,-0.1 14,-0.2 -1,-0.1 0.956 76.2 171.8 52.3 58.0 17.9 16.2 60.0 38 121 A P + 0 0 0 0, 0.0 13,-0.3 0, 0.0 2,-0.3 -0.438 12.5 168.1 -93.2 171.4 14.7 16.0 57.9 39 122 A Y E -G 50 0E 0 11,-2.7 11,-3.2 -2,-0.1 2,-0.3 -0.939 29.4-111.4-164.7-179.6 13.9 17.5 54.5 40 123 A V E +G 49 0E 1 -2,-0.3 108,-0.5 9,-0.2 2,-0.3 -0.941 29.5 175.9-126.1 146.7 11.4 17.3 51.6 41 124 A S E -G 48 0E 1 7,-2.4 7,-3.2 -2,-0.3 2,-0.3 -0.975 15.2-142.5-154.6 140.4 12.0 16.0 48.1 42 125 A b E -G 47 0E 1 286,-0.4 61,-0.5 -2,-0.3 5,-0.3 -0.715 5.5-162.6-108.0 156.1 9.8 15.5 45.1 43 126 A D - 0 0 16 3,-3.5 3,-0.2 -2,-0.3 288,-0.2 -0.577 48.2 -91.5-116.6-179.8 9.6 12.9 42.3 44 127 A P S S+ 0 0 55 0, 0.0 3,-0.1 0, 0.0 -2,-0.0 0.842 126.5 30.0 -67.9 -26.7 7.8 13.4 39.1 45 128 A D S S+ 0 0 134 1,-0.2 2,-0.3 0, 0.0 -3,-0.0 0.399 127.8 6.8-112.8 3.4 4.6 11.9 40.6 46 129 A E - 0 0 80 -3,-0.2 -3,-3.5 2,-0.0 2,-0.4 -0.954 57.8-128.5-175.8 157.7 4.7 12.8 44.3 47 130 A b E -G 42 0E 17 -2,-0.3 34,-0.9 -5,-0.3 2,-0.3 -0.930 28.2-167.8-118.2 143.8 6.6 14.7 47.0 48 131 A R E -GH 41 80E 27 -7,-3.2 -7,-2.4 -2,-0.4 2,-0.3 -0.899 23.4-116.4-134.1 160.8 7.8 13.1 50.3 49 132 A F E -GH 40 79E 0 30,-2.2 30,-2.2 -2,-0.3 2,-0.3 -0.652 33.7-165.0 -88.6 148.9 9.2 13.9 53.7 50 133 A Y E +GH 39 78E 0 -11,-3.2 -11,-2.7 -2,-0.3 2,-0.3 -0.970 16.4 148.3-136.3 149.7 12.7 12.7 54.5 51 134 A A E - H 0 77E 0 26,-2.2 26,-3.1 -2,-0.3 2,-0.8 -0.981 47.5 -97.0-170.8 167.3 14.7 12.2 57.7 52 135 A L E - H 0 76E 0 -16,-2.2 -16,-0.3 -2,-0.3 24,-0.2 -0.841 40.6-146.9 -99.2 103.5 17.3 10.2 59.5 53 136 A S E - H 0 75E 8 22,-2.5 22,-0.8 -2,-0.8 -18,-0.2 -0.207 9.8-147.1 -64.0 160.3 15.6 7.7 61.8 54 137 A Q - 0 0 14 -20,-1.9 20,-0.2 2,-0.4 -19,-0.1 0.173 45.9-110.5-111.2 9.2 17.3 6.8 65.1 55 138 A G S S+ 0 0 42 -21,-0.3 2,-0.3 1,-0.2 19,-0.1 0.951 87.9 69.9 60.1 55.5 15.9 3.2 64.8 56 139 A T S S- 0 0 16 -22,-0.2 -22,-2.6 7,-0.1 -2,-0.4 -0.889 81.2 -98.1 175.3 159.0 13.4 3.4 67.6 57 140 A T B -F 33 0D 31 -24,-0.3 -24,-0.2 -2,-0.3 6,-0.2 -0.489 33.3-113.5 -89.9 163.6 10.0 5.0 68.5 58 141 A I S S+ 0 0 3 -26,-2.1 5,-0.1 1,-0.2 -25,-0.1 0.917 120.2 39.3 -61.8 -44.4 9.6 8.2 70.6 59 142 A R S S+ 0 0 113 -32,-0.4 -1,-0.2 -29,-0.3 -28,-0.1 0.680 95.3 108.0 -78.5 -19.6 7.9 6.2 73.4 60 143 A G S > S- 0 0 19 1,-0.1 3,-1.8 2,-0.1 4,-0.2 -0.248 80.0-123.0 -59.6 148.2 10.2 3.3 73.0 61 144 A K G > S+ 0 0 196 1,-0.3 3,-1.2 2,-0.2 -1,-0.1 0.743 110.4 65.7 -63.3 -23.1 12.8 2.8 75.7 62 145 A H G 3 S+ 0 0 158 1,-0.3 -1,-0.3 3,-0.1 -2,-0.1 0.509 77.0 84.0 -77.5 -3.0 15.6 3.0 73.1 63 146 A S G X + 0 0 12 -3,-1.8 3,-1.8 -6,-0.2 2,-0.6 0.707 67.1 104.8 -70.4 -15.8 14.6 6.6 72.5 64 147 A N T < S+ 0 0 94 -3,-1.2 293,-0.2 1,-0.3 -3,-0.0 -0.524 85.5 18.7 -69.7 110.3 16.9 7.3 75.4 65 148 A G T > S+ 0 0 24 291,-2.5 3,-2.1 -2,-0.6 -1,-0.3 0.415 77.5 132.8 110.9 0.1 20.1 8.8 74.1 66 149 A T T < + 0 0 8 -3,-1.8 291,-0.1 290,-0.4 -2,-0.1 0.332 49.9 89.9 -68.0 10.1 18.9 9.8 70.7 67 150 A I T 3 + 0 0 65 289,-0.3 -1,-0.3 -4,-0.1 290,-0.1 0.739 69.4 97.9 -75.7 -19.5 20.6 13.2 71.2 68 151 A H < - 0 0 131 -3,-2.1 3,-0.1 1,-0.1 290,-0.1 -0.357 64.8-154.5 -67.6 148.3 23.6 11.4 69.6 69 152 A D S S+ 0 0 77 1,-0.2 2,-0.5 -2,-0.0 -1,-0.1 0.800 73.0 44.9 -94.3 -35.4 24.1 12.1 65.8 70 153 A R + 0 0 90 3,-0.0 2,-0.3 44,-0.0 -1,-0.2 -0.884 65.0 135.3-124.2 105.2 26.0 9.0 64.5 71 154 A S > - 0 0 26 -2,-0.5 3,-0.9 -3,-0.1 44,-0.1 -0.862 61.6-109.2-135.3 170.0 25.0 5.5 65.5 72 155 A Q T 3 S+ 0 0 156 -2,-0.3 -17,-0.0 1,-0.2 -18,-0.0 0.390 110.3 67.9 -83.2 5.3 24.7 2.2 63.6 73 156 A Y T 3 S+ 0 0 157 -19,-0.1 -1,-0.2 22,-0.0 2,-0.2 0.270 78.8 100.0-107.9 10.3 20.9 2.3 64.1 74 157 A R < + 0 0 4 -3,-0.9 22,-1.4 -20,-0.2 2,-0.3 -0.619 42.3 169.0 -96.8 156.1 20.2 5.4 61.8 75 158 A A E -HI 53 95E 12 -22,-0.8 -22,-2.5 20,-0.3 2,-0.6 -0.969 40.6-105.0-163.2 147.7 18.9 5.3 58.2 76 159 A L E -HI 52 94E 0 18,-2.6 17,-2.9 -2,-0.3 18,-1.2 -0.685 47.5-179.2 -78.6 118.3 17.5 7.8 55.7 77 160 A I E -HI 51 92E 4 -26,-3.1 -26,-2.2 -2,-0.6 2,-0.3 -0.847 14.7-160.8-118.4 156.7 13.8 7.2 55.5 78 161 A S E +HI 50 91E 0 13,-2.3 13,-3.0 -2,-0.3 -28,-0.2 -0.973 13.4 174.6-134.0 149.4 11.1 8.8 53.4 79 162 A W E -H 49 0E 1 -30,-2.2 -30,-2.2 -2,-0.3 3,-0.1 -0.956 41.5 -60.3-150.3 167.0 7.3 8.9 54.0 80 163 A P E > S-H 48 0E 47 0, 0.0 3,-2.6 0, 0.0 -32,-0.2 -0.247 71.2 -88.4 -54.3 131.5 4.0 10.3 52.7 81 164 A L T 3 S+ 0 0 53 -34,-0.9 -33,-0.1 1,-0.3 -61,-0.1 -0.067 108.0 0.3 -45.1 127.9 3.9 14.1 52.8 82 165 A S T 3 S+ 0 0 42 1,-0.3 -1,-0.3 -3,-0.1 280,-0.1 0.419 104.5 116.7 70.5 -2.7 2.7 15.6 56.0 83 166 A S S < S- 0 0 47 -3,-2.6 -1,-0.3 1,-0.1 -60,-0.1 -0.479 73.3-105.5 -84.1 166.1 2.2 12.1 57.4 84 167 A P - 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0 0 1 3,-2.6 -101,-2.6 -2,-0.4 50,-0.4 0.351 56.4 -91.6 -96.7 8.3 16.8 13.2 38.1 105 188 A G S S+ 0 0 18 2,-0.4 3,-0.1 -103,-0.3 -103,-0.1 0.014 123.3 52.2 107.7 -26.9 13.5 12.9 36.2 106 189 A K S S- 0 0 112 1,-0.5 2,-0.3 -103,-0.1 -104,-0.1 0.789 123.1 -26.2-104.8 -49.8 13.9 9.2 35.5 107 190 A T S S- 0 0 24 -5,-0.0 -3,-2.6 -64,-0.0 -1,-0.5 -0.881 72.6 -81.6-153.0-176.2 14.6 7.8 38.9 108 191 A R E -J 103 0F 19 -2,-0.3 19,-2.1 -5,-0.3 20,-0.7 -0.803 22.3-158.8-107.8 139.8 16.0 8.7 42.3 109 192 A M E -JK 102 126F 2 -7,-3.0 -7,-2.4 -2,-0.4 2,-0.4 -0.925 16.3-176.9-109.1 133.1 19.6 8.9 43.6 110 193 A S E -JK 101 125F 4 15,-2.3 15,-4.0 -2,-0.4 2,-0.4 -0.988 9.1-159.5-133.3 143.3 20.1 8.6 47.3 111 194 A I E +JK 100 124F 0 -11,-2.7 -11,-1.4 -2,-0.4 2,-0.4 -0.987 9.9 178.0-128.6 128.2 23.3 8.9 49.3 112 195 A c E -JK 99 123F 2 11,-1.7 11,-2.5 -2,-0.4 2,-0.4 -0.976 11.0-157.7-127.6 142.6 24.0 7.6 52.8 113 196 A I E + K 0 122F 0 -15,-1.8 -16,-3.2 -2,-0.4 -15,-0.4 -0.965 20.9 158.6-120.9 136.0 27.2 7.8 54.8 114 197 A S E + K 0 121F 43 7,-2.0 7,-2.4 -2,-0.4 28,-0.1 -0.853 18.8 81.5-143.6 179.1 28.1 5.5 57.8 115 198 A G S S- 0 0 31 -2,-0.3 5,-0.3 5,-0.2 -18,-0.1 -0.472 77.4 -40.0 112.5 175.4 31.0 4.2 59.7 116 199 A P > - 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