==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-NOV-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/HYDROLASE INHIBITOR 24-MAY-93 1NSD . COMPND 2 MOLECULE: NEURAMINIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: INFLUENZA B VIRUS (STRAIN B/BEIJING/1/ . AUTHOR W.P.BURMEISTER,R.W.H.RUIGROK,S.CUSACK . 780 2 16 16 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 27376.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 459 58.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 14 1.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 276 35.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, 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 . 4 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 16 2.1 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 . 2 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 . 69 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 38 4.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 6 0.8 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 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 . 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 0 0 PARALLEL BRIDGES PER LADDER . 3 2 2 2 10 15 4 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 1 6 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 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 76 A E 0 0 173 0, 0.0 109,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-179.4 -1.7 18.6 -5.3 2 77 A P - 0 0 76 0, 0.0 2,-0.2 0, 0.0 108,-0.1 -0.095 360.0-108.0 -62.2 157.2 -2.6 21.4 -2.8 3 78 A E - 0 0 160 106,-0.1 2,-0.1 1,-0.1 154,-0.0 -0.511 35.8-102.1 -77.9 155.2 -6.2 22.3 -2.1 4 79 A W - 0 0 41 -2,-0.2 105,-0.3 105,-0.1 2,-0.2 -0.501 42.2-111.0 -72.4 145.9 -7.6 25.5 -3.4 5 80 A T - 0 0 31 103,-2.2 152,-2.1 -2,-0.1 153,-0.4 -0.557 35.1-177.9 -77.3 144.6 -7.9 28.3 -0.8 6 81 A Y - 0 0 111 150,-0.2 2,-0.2 -2,-0.2 150,-0.1 -0.935 38.1 -94.9-132.6 155.9 -11.3 29.4 0.5 7 82 A P - 0 0 13 0, 0.0 2,-0.2 0, 0.0 201,-0.1 -0.531 46.0-164.8 -67.9 142.4 -12.0 32.2 3.1 8 83 A R - 0 0 74 -2,-0.2 272,-0.2 1,-0.1 336,-0.1 -0.632 33.3 -73.5-117.5 175.6 -12.4 30.8 6.6 9 84 A L - 0 0 96 334,-0.2 336,-1.8 -2,-0.2 272,-0.2 -0.444 60.1-104.8 -64.2 146.4 -13.8 32.3 9.8 10 85 A S B -a 345 0A 16 270,-2.4 336,-0.2 334,-0.2 272,-0.1 -0.376 36.8 -98.7 -72.3 155.2 -11.4 34.8 11.3 11 86 A a - 0 0 18 334,-2.4 -1,-0.1 1,-0.1 334,-0.0 -0.311 53.4 -84.8 -67.7 159.9 -9.3 34.0 14.4 12 87 A Q S S+ 0 0 187 -3,-0.1 362,-0.5 334,-0.0 2,-0.2 -0.326 76.6 108.6 -71.6 150.4 -10.6 35.2 17.7 13 88 A G - 0 0 22 360,-0.2 362,-0.2 -3,-0.1 3,-0.1 -0.746 45.2-153.3 158.6 158.3 -9.8 38.8 18.8 14 89 A S S S+ 0 0 64 360,-2.9 2,-0.3 -2,-0.2 361,-0.2 0.379 73.7 42.9-137.9 7.6 -11.6 42.2 19.1 15 90 A T S S- 0 0 7 359,-1.3 358,-2.7 362,-0.1 2,-0.2 -0.960 71.1-123.4-146.4 159.7 -8.9 44.9 18.6 16 91 A F E -B 372 0A 0 -2,-0.3 2,-0.3 305,-0.3 356,-0.3 -0.657 27.5-170.2 -98.6 157.3 -6.0 45.5 16.3 17 92 A Q E -B 371 0A 30 354,-2.0 354,-1.9 -2,-0.2 2,-0.3 -0.948 36.3 -81.7-142.1 160.8 -2.5 46.1 17.6 18 93 A K E +B 370 0A 76 -2,-0.3 352,-0.2 352,-0.2 3,-0.1 -0.484 49.5 169.7 -66.6 126.5 0.8 47.2 16.0 19 94 A A E - 0 0 47 350,-2.6 2,-0.3 1,-0.3 351,-0.2 0.863 49.6 -18.2-103.5 -53.1 2.4 44.3 14.4 20 95 A L E -B 369 0A 69 349,-1.4 349,-2.9 2,-0.0 2,-0.4 -0.994 41.8-150.8-166.0 144.5 5.4 45.2 12.2 21 96 A L E -B 368 0A 54 -2,-0.3 2,-0.6 347,-0.2 347,-0.2 -0.994 5.1-164.8-126.0 127.5 7.1 48.2 10.4 22 97 A I E +B 367 0A 4 345,-3.0 345,-2.3 -2,-0.4 65,-0.0 -0.968 18.1 168.9-111.1 109.1 9.1 47.6 7.2 23 98 A S > + 0 0 8 -2,-0.6 3,-2.0 343,-0.2 4,-0.2 -0.704 6.5 175.2-124.2 79.8 11.0 50.9 6.9 24 99 A P G > S+ 0 0 3 0, 0.0 3,-1.4 0, 0.0 -1,-0.1 0.791 73.8 63.9 -66.4 -25.7 13.7 50.2 4.2 25 100 A H G > S+ 0 0 6 1,-0.3 3,-1.5 2,-0.2 362,-0.2 0.564 76.9 84.5 -84.1 1.2 15.0 53.8 4.1 26 101 A R G < S+ 0 0 139 -3,-2.0 -1,-0.3 1,-0.3 3,-0.1 0.599 101.9 39.9 -65.5 -11.5 16.2 53.5 7.8 27 102 A F G < S+ 0 0 98 -3,-1.4 7,-0.6 -4,-0.2 -1,-0.3 0.145 90.9 91.8-119.6 13.5 19.2 52.0 5.9 28 103 A G < + 0 0 1 -3,-1.5 -2,-0.1 7,-0.1 -3,-0.1 0.208 51.5 138.2-100.5 19.0 19.4 54.4 2.9 29 104 A E > - 0 0 57 1,-0.1 3,-1.9 -3,-0.1 5,-0.3 -0.267 63.1-123.3 -66.1 148.1 21.8 56.9 4.3 30 105 A A T 3 S+ 0 0 72 1,-0.3 -1,-0.1 3,-0.1 360,-0.1 0.817 115.3 48.0 -62.2 -29.3 24.5 58.2 2.0 31 106 A R T 3 S+ 0 0 200 2,-0.0 -1,-0.3 0, 0.0 -2,-0.1 0.450 100.6 88.5 -85.6 -2.0 27.1 57.0 4.6 32 107 A G S < S- 0 0 17 -3,-1.9 -4,-0.1 2,-0.1 -5,-0.1 -0.195 75.9-130.6 -87.5-172.8 25.4 53.6 4.9 33 108 A N + 0 0 142 -6,-0.1 2,-0.2 -2,-0.0 -5,-0.1 0.018 66.6 101.6-128.1 23.1 26.0 50.4 2.9 34 109 A S - 0 0 47 -7,-0.6 390,-0.2 -5,-0.3 -2,-0.1 -0.658 55.3-146.9-113.1 163.9 22.5 49.3 1.9 35 110 A A + 0 0 8 -2,-0.2 56,-1.8 389,-0.1 57,-0.1 -0.524 20.3 179.1-128.2 63.7 20.4 49.5 -1.3 36 111 A P B -E 90 0B 0 0, 0.0 26,-1.9 0, 0.0 54,-0.3 -0.465 34.0-116.6 -56.9 135.1 16.6 49.9 -0.3 37 112 A L E -F 61 0C 2 52,-2.3 2,-0.4 24,-0.2 24,-0.3 -0.543 18.5-117.6 -76.9 145.4 14.5 50.2 -3.5 38 113 A I E + 0 0 0 22,-3.0 20,-2.2 -2,-0.2 21,-0.5 -0.712 54.5 151.8 -81.6 131.7 12.5 53.4 -4.3 39 114 A I E -F 57 0C 3 -2,-0.4 2,-0.3 18,-0.3 18,-0.2 -0.911 30.3-170.7-150.8 167.4 8.9 52.3 -4.4 40 115 A R E +F 56 0C 15 16,-1.3 16,-2.4 -2,-0.3 325,-0.1 -0.902 66.1 47.6-153.4 178.1 5.3 53.4 -3.8 41 116 A E E - 0 0 11 -2,-0.3 2,-0.1 14,-0.2 -1,-0.1 0.928 69.5-178.2 49.5 55.6 1.9 51.4 -3.8 42 117 A P E + 0 0 2 0, 0.0 2,-0.3 0, 0.0 13,-0.3 -0.474 6.3 166.8 -71.1 151.8 3.1 48.6 -1.4 43 118 A F E -F 54 0C 0 11,-2.2 11,-2.5 -2,-0.1 2,-0.3 -0.975 24.5-136.8-156.0 164.1 0.6 45.9 -0.6 44 119 A I E +F 53 0C 0 -2,-0.3 108,-0.5 9,-0.2 2,-0.3 -0.932 16.9 180.0-124.1 148.1 0.8 42.4 1.0 45 120 A A E -F 52 0C 4 7,-1.8 7,-2.5 -2,-0.3 2,-0.4 -0.995 14.0-149.9-145.2 141.6 -0.9 39.2 -0.0 46 121 A b E -F 51 0C 21 -2,-0.3 61,-0.5 292,-0.3 5,-0.3 -0.900 9.8-166.2-120.4 147.1 -0.6 35.8 1.7 47 122 A G - 0 0 6 3,-3.3 293,-0.5 -2,-0.4 63,-0.0 -0.355 54.5 -74.8-103.9-165.1 -0.7 32.2 0.7 48 123 A P S S+ 0 0 57 0, 0.0 3,-0.1 0, 0.0 62,-0.0 0.851 127.1 17.3 -63.4 -36.2 -1.0 29.2 3.1 49 124 A K S S+ 0 0 195 1,-0.2 2,-0.3 290,-0.0 290,-0.0 0.612 125.9 25.9-112.0 -18.5 2.5 29.3 4.4 50 125 A E - 0 0 67 34,-0.0 -3,-3.3 2,-0.0 2,-0.4 -0.975 55.6-140.3-150.7 155.9 4.0 32.7 3.5 51 126 A b E -F 46 0C 15 -2,-0.3 34,-2.9 -5,-0.3 2,-0.4 -0.925 16.2-149.6-116.3 146.2 3.2 36.3 2.7 52 127 A K E -FG 45 84C 30 -7,-2.5 -7,-1.8 -2,-0.4 2,-0.7 -0.899 8.4-142.1-112.4 145.2 4.9 38.5 0.1 53 128 A H E -FG 44 83C 4 30,-3.0 30,-1.3 -2,-0.4 -9,-0.2 -0.939 27.2-170.4-108.0 107.0 5.3 42.2 0.3 54 129 A F E +FG 43 82C 0 -11,-2.5 -11,-2.2 -2,-0.7 2,-0.3 -0.573 13.4 158.8 -97.7 159.7 4.8 43.7 -3.1 55 130 A A E - G 0 81C 2 26,-1.4 26,-2.5 -13,-0.3 2,-0.7 -0.956 43.0-107.7-162.8 168.0 5.4 47.3 -4.4 56 131 A L E -FG 40 80C 0 -16,-2.4 -16,-1.3 -2,-0.3 24,-0.2 -0.920 40.0-157.1-104.9 110.1 5.9 49.1 -7.6 57 132 A T E -FG 39 79C 0 22,-2.4 22,-1.4 -2,-0.7 -18,-0.3 -0.529 23.6-141.7 -83.3 153.6 9.6 50.2 -7.8 58 133 A H E - 0 0 7 -20,-2.2 -19,-0.1 2,-0.3 20,-0.1 0.231 51.4-112.2 -92.8 12.1 11.0 53.1 -9.9 59 134 A Y E S+ 0 0 0 -21,-0.5 2,-0.3 1,-0.2 -20,-0.1 0.954 84.6 104.9 61.2 48.6 14.0 50.7 -10.5 60 135 A A E - 0 0 0 -22,-0.3 -22,-3.0 358,-0.1 -2,-0.3 -0.971 57.2-142.8-155.8 151.2 16.4 52.9 -8.5 61 136 A A E -F 37 0C 4 356,-0.4 5,-0.4 -2,-0.3 -24,-0.2 -0.781 26.0 -95.4-118.5 161.8 17.9 52.6 -5.0 62 137 A Q S S+ 0 0 5 -26,-1.9 2,-0.1 -2,-0.3 -33,-0.1 -0.992 111.5 40.1-115.6 126.8 18.7 55.1 -2.2 63 138 A P S S+ 0 0 10 0, 0.0 361,-0.5 0, 0.0 2,-0.3 0.578 103.0 101.4 -71.0 151.7 21.6 56.1 -2.1 64 139 A G S S- 0 0 0 359,-0.2 3,-0.2 -2,-0.1 354,-0.1 -0.974 75.1-101.8-175.6-171.9 21.8 56.5 -5.9 65 140 A G S S+ 0 0 21 -2,-0.3 3,-0.2 352,-0.2 -3,-0.1 0.248 93.3 78.3-117.7 12.5 21.6 58.9 -8.8 66 141 A Y + 0 0 25 -5,-0.4 -1,-0.1 1,-0.2 -4,-0.0 -0.107 48.2 118.7-119.7 38.3 18.1 58.3 -10.2 67 142 A Y > + 0 0 41 -3,-0.2 3,-2.4 2,-0.1 4,-0.2 0.856 47.9 98.7 -69.5 -33.4 15.8 60.3 -7.9 68 143 A N T 3 S+ 0 0 150 1,-0.3 292,-0.1 -3,-0.2 294,-0.1 -0.348 92.5 17.4 -63.2 123.5 14.6 62.6 -10.6 69 144 A G T > S+ 0 0 30 290,-0.3 3,-1.5 -2,-0.1 -1,-0.3 0.413 87.2 116.3 98.4 0.3 11.2 61.3 -11.8 70 145 A T T < S+ 0 0 5 -3,-2.4 -2,-0.1 1,-0.3 -3,-0.1 0.519 70.8 61.9 -83.4 4.3 10.5 59.1 -8.8 71 146 A R T 3 S+ 0 0 105 -4,-0.2 2,-0.3 288,-0.1 -1,-0.3 0.354 86.3 95.1-103.4 6.8 7.6 61.2 -7.9 72 147 A E < - 0 0 113 -3,-1.5 3,-0.1 1,-0.1 0, 0.0 -0.696 67.0-145.6 -93.5 153.0 5.8 60.3 -11.2 73 148 A D S S+ 0 0 81 -2,-0.3 2,-0.4 1,-0.2 -1,-0.1 0.851 74.7 34.5 -88.1 -31.7 3.3 57.5 -11.4 74 149 A R + 0 0 69 3,-0.0 2,-0.3 44,-0.0 -1,-0.2 -0.973 64.0 125.0-135.8 135.0 3.8 55.9 -14.8 75 150 A N - 0 0 39 -2,-0.4 3,-0.5 -3,-0.1 44,-0.1 -0.949 66.7 -85.4-168.0-178.4 6.8 55.4 -17.0 76 151 A K S S+ 0 0 64 -2,-0.3 698,-0.3 1,-0.2 25,-0.0 0.439 116.3 53.7 -83.4 -0.9 8.7 52.7 -18.9 77 152 A L S S+ 0 0 21 696,-0.1 -1,-0.2 22,-0.1 335,-0.1 0.634 72.8 113.1-108.8 -19.5 10.9 51.6 -15.9 78 153 A R - 0 0 4 -3,-0.5 22,-1.6 -20,-0.1 2,-0.3 -0.217 44.4-176.1 -61.1 138.6 8.4 50.9 -13.1 79 154 A H E -GH 57 99C 0 -22,-1.4 -22,-2.4 20,-0.3 2,-0.5 -0.987 30.5-117.5-133.3 150.5 8.2 47.2 -12.1 80 155 A L E +GH 56 98C 0 18,-2.5 17,-2.8 -2,-0.3 18,-0.9 -0.775 44.9 171.1 -81.9 127.6 6.2 45.0 -9.8 81 156 A I E -GH 55 96C 1 -26,-2.5 -26,-1.4 -2,-0.5 2,-0.3 -0.822 11.8-171.5-128.0 170.3 8.6 43.5 -7.2 82 157 A S E -GH 54 95C 4 13,-1.5 13,-1.9 -2,-0.3 2,-0.3 -0.990 10.8-170.0-156.7 164.1 8.3 41.5 -4.0 83 158 A V E -G 53 0C 8 -30,-1.3 -30,-3.0 -2,-0.3 2,-0.2 -0.925 48.3 -82.5-140.2 166.5 10.2 40.1 -1.0 84 159 A K E > -G 52 0C 120 -2,-0.3 3,-2.3 -32,-0.2 -32,-0.3 -0.481 61.9 -96.1 -67.7 138.3 9.0 37.7 1.6 85 160 A L T 3 S+ 0 0 35 -34,-2.9 -34,-0.2 1,-0.3 -1,-0.1 -0.362 115.0 37.4 -59.8 131.3 7.2 39.7 4.2 86 161 A G T 3 S+ 0 0 46 1,-0.6 2,-0.3 -3,-0.1 -1,-0.3 0.192 95.1 98.4 107.7 -16.0 9.7 40.5 7.0 87 162 A K S < S- 0 0 100 -3,-2.3 -1,-0.6 -65,-0.0 -4,-0.1 -0.704 80.9-112.8 -94.4 176.8 12.7 41.1 4.7 88 163 A I - 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