==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 02-OCT-09 3K36 . COMPND 2 MOLECULE: NEURAMINIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: INFLUENZA B VIRUS; . AUTHOR A.J.OAKLEY,J.L.MCKIMM-BRESCHKIN . 778 2 16 16 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 29282.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 454 58.4 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 . 273 35.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.5 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 . 67 8.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 40 5.1 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 . 2 2 2 2 7 19 4 2 0 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 6 6 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 78 A P 0 0 145 0, 0.0 2,-0.3 0, 0.0 108,-0.1 0.000 360.0 360.0 360.0-170.8 37.4 -32.9 -67.4 2 79 A E - 0 0 124 106,-0.4 155,-0.1 1,-0.0 154,-0.0 -0.938 360.0 -86.9-130.6 154.9 34.8 -30.2 -68.3 3 80 A W - 0 0 33 -2,-0.3 105,-0.3 153,-0.1 2,-0.1 -0.263 45.8-117.3 -55.3 139.6 33.3 -27.1 -66.5 4 81 A T - 0 0 25 103,-2.9 152,-1.5 151,-0.0 153,-0.4 -0.492 31.3-178.3 -80.3 150.2 30.3 -27.7 -64.3 5 82 A Y - 0 0 108 150,-0.2 2,-0.2 -2,-0.1 150,-0.1 -0.943 37.4 -96.7-138.3 151.5 26.9 -26.1 -65.1 6 83 A P - 0 0 15 0, 0.0 2,-0.2 0, 0.0 3,-0.1 -0.581 44.2-165.3 -68.9 136.0 23.6 -26.4 -63.1 7 84 A R - 0 0 65 -2,-0.2 272,-0.2 1,-0.2 336,-0.1 -0.526 33.6 -75.5-106.5-179.0 21.4 -29.1 -64.6 8 85 A L - 0 0 96 334,-0.3 336,-1.9 -2,-0.2 272,-0.2 -0.389 60.8 -98.3 -71.9 155.0 17.7 -29.8 -64.0 9 86 A S B -a 344 0A 16 270,-3.5 336,-0.2 334,-0.2 272,-0.1 -0.495 35.9-102.1 -84.1 150.9 16.9 -31.4 -60.7 10 87 A a - 0 0 12 334,-2.0 -1,-0.1 -2,-0.2 334,-0.0 -0.212 52.9 -82.1 -61.4 154.9 16.4 -35.2 -60.2 11 88 A P S S+ 0 0 122 0, 0.0 362,-0.4 0, 0.0 2,-0.2 -0.313 77.3 98.4 -60.7 143.6 12.8 -36.3 -59.8 12 89 A G - 0 0 23 360,-0.1 362,-0.2 -3,-0.1 3,-0.1 -0.784 47.9-149.1 157.0 167.9 11.1 -36.1 -56.4 13 90 A S S S+ 0 0 56 360,-2.8 2,-0.3 -2,-0.2 361,-0.2 0.302 74.2 47.5-148.8 12.5 8.8 -34.0 -54.2 14 91 A T - 0 0 3 359,-1.2 358,-2.7 362,-0.1 2,-0.3 -0.982 67.7-126.8-143.8 160.2 9.9 -34.5 -50.6 15 92 A F E -B 371 0A 0 -2,-0.3 2,-0.3 356,-0.3 356,-0.3 -0.813 26.2-170.7 -98.1 148.5 13.0 -34.4 -48.5 16 93 A Q E -B 370 0A 34 354,-2.2 354,-2.1 -2,-0.3 2,-0.2 -0.940 36.7 -85.2-133.7 155.7 14.0 -37.2 -46.2 17 94 A K E +B 369 0A 75 -2,-0.3 352,-0.2 352,-0.2 3,-0.1 -0.441 49.2 170.1 -56.9 124.4 16.7 -37.8 -43.6 18 95 A A E - 0 0 51 350,-2.6 2,-0.3 1,-0.3 351,-0.2 0.816 51.2 -10.1-106.6 -44.2 19.9 -38.9 -45.4 19 96 A L E -B 368 0A 64 349,-1.3 349,-2.8 2,-0.0 2,-0.5 -0.960 44.1-151.8-171.6 126.6 22.9 -38.9 -43.1 20 97 A L E -B 367 0A 58 -2,-0.3 2,-0.6 347,-0.2 347,-0.2 -0.970 5.2-167.6-110.2 128.6 24.1 -37.8 -39.6 21 98 A I E +B 366 0A 4 345,-2.8 345,-2.1 -2,-0.5 65,-0.0 -0.916 18.8 165.5-108.2 97.8 27.8 -37.0 -38.9 22 99 A S > + 0 0 8 -2,-0.6 3,-1.5 343,-0.2 4,-0.2 -0.762 7.6 174.9-115.5 84.6 28.0 -36.9 -35.1 23 100 A P G > S+ 0 0 3 0, 0.0 3,-1.4 0, 0.0 -1,-0.1 0.766 71.6 66.6 -69.2 -20.9 31.7 -37.0 -34.3 24 101 A H G > S+ 0 0 6 1,-0.3 3,-1.2 2,-0.2 362,-0.2 0.548 74.7 86.4 -84.9 -1.8 31.3 -36.5 -30.6 25 102 A R G < S+ 0 0 136 -3,-1.5 -1,-0.3 1,-0.2 3,-0.2 0.722 101.0 37.6 -52.7 -23.1 29.6 -39.9 -30.3 26 103 A F G < S+ 0 0 99 -3,-1.4 7,-0.6 -4,-0.2 -1,-0.2 0.184 89.4 98.0-118.0 12.2 33.2 -41.0 -29.9 27 104 A G < + 0 0 1 -3,-1.2 -1,-0.1 7,-0.1 -2,-0.1 0.148 53.1 136.8 -87.2 21.9 34.6 -38.1 -27.9 28 105 A E > - 0 0 63 -3,-0.2 3,-0.9 1,-0.1 5,-0.3 -0.359 61.5-132.2 -76.0 149.4 34.3 -39.9 -24.4 29 106 A T T 3 S+ 0 0 99 1,-0.2 -1,-0.1 3,-0.1 360,-0.1 0.852 116.0 50.2 -55.9 -40.3 36.9 -39.8 -21.7 30 107 A K T 3 S+ 0 0 192 2,-0.0 -1,-0.2 0, 0.0 -2,-0.1 0.533 104.3 80.4 -82.6 1.4 36.4 -43.5 -21.5 31 108 A G S < S- 0 0 26 -3,-0.9 -4,-0.1 2,-0.1 -5,-0.1 -0.212 74.5-133.1 -92.7-175.2 36.9 -43.8 -25.4 32 109 A N + 0 0 171 -6,-0.1 2,-0.2 -2,-0.1 -5,-0.1 -0.066 65.6 105.1-127.9 32.8 40.0 -43.9 -27.7 33 110 A S - 0 0 62 -7,-0.6 -2,-0.1 -5,-0.3 27,-0.0 -0.652 54.8-146.2-116.2 170.3 39.0 -41.4 -30.4 34 111 A A - 0 0 35 -2,-0.2 56,-2.1 26,-0.1 2,-0.1 -0.472 18.6-179.4-136.5 67.5 39.9 -37.8 -31.5 35 112 A P B -E 89 0B 1 0, 0.0 26,-2.0 0, 0.0 54,-0.3 -0.441 33.2-115.2 -66.0 137.9 37.0 -35.8 -33.1 36 113 A L E -F 60 0C 5 52,-2.4 2,-0.7 24,-0.2 24,-0.2 -0.500 21.0-120.1 -78.6 140.1 38.0 -32.4 -34.1 37 114 A I E + 0 0 0 22,-2.7 20,-2.5 -2,-0.2 21,-0.4 -0.758 52.8 157.8 -83.7 114.3 36.3 -29.5 -32.3 38 115 A I E -F 56 0C 5 -2,-0.7 2,-0.3 18,-0.3 18,-0.2 -0.746 27.8-176.1-129.2 169.8 34.5 -27.6 -35.1 39 116 A R E +F 55 0C 18 16,-1.3 16,-2.3 -2,-0.2 325,-0.1 -0.917 65.3 44.7-154.8 178.7 31.7 -25.1 -35.9 40 117 A E E S- 0 0 8 -2,-0.3 2,-0.1 14,-0.2 -1,-0.1 0.934 72.5-176.6 44.6 60.1 30.2 -23.7 -39.2 41 118 A P E + 0 0 1 0, 0.0 2,-0.3 0, 0.0 13,-0.2 -0.486 7.2 166.1 -75.8 155.4 30.2 -27.0 -41.1 42 119 A F E -F 53 0C 3 11,-2.1 11,-2.8 -2,-0.1 2,-0.3 -0.964 24.7-131.6-162.8 166.4 29.1 -27.2 -44.7 43 120 A I E +F 52 0C 0 -2,-0.3 108,-0.5 9,-0.2 2,-0.3 -0.949 16.6 179.6-129.8 147.2 29.1 -29.5 -47.7 44 121 A A E -F 51 0C 3 7,-2.0 7,-3.0 -2,-0.3 2,-0.4 -0.984 13.3-152.2-148.6 140.6 30.1 -29.1 -51.3 45 122 A b E -F 50 0C 21 -2,-0.3 61,-0.4 292,-0.3 5,-0.3 -0.906 7.0-167.7-122.3 140.5 30.1 -31.6 -54.1 46 123 A G - 0 0 7 3,-3.5 293,-0.4 -2,-0.4 61,-0.0 -0.601 50.1 -79.9-111.1-177.4 32.1 -32.2 -57.3 47 124 A P S S+ 0 0 67 0, 0.0 3,-0.1 0, 0.0 62,-0.0 0.794 127.9 18.1 -56.5 -28.7 31.5 -34.5 -60.3 48 125 A K S S+ 0 0 186 1,-0.2 2,-0.3 0, 0.0 -3,-0.0 0.699 125.7 25.1-113.2 -24.6 33.0 -37.5 -58.4 49 126 A E - 0 0 48 2,-0.0 -3,-3.5 34,-0.0 2,-0.4 -0.939 56.3-135.3-144.7 155.1 33.0 -36.7 -54.6 50 127 A b E -F 45 0C 21 -2,-0.3 34,-2.5 -5,-0.3 2,-0.4 -0.973 20.9-153.5-111.6 132.7 31.3 -34.7 -51.8 51 128 A K E -FG 44 83C 27 -7,-3.0 -7,-2.0 -2,-0.4 2,-0.7 -0.912 5.9-147.9-103.9 133.5 33.5 -32.9 -49.2 52 129 A H E -FG 43 82C 7 30,-2.8 30,-1.6 -2,-0.4 -9,-0.2 -0.896 26.2-170.0 -97.9 108.1 32.3 -32.1 -45.7 53 130 A F E +FG 42 81C 0 -11,-2.8 -11,-2.1 -2,-0.7 2,-0.3 -0.583 12.9 160.5-100.3 160.8 34.0 -28.9 -44.5 54 131 A A E - G 0 80C 3 26,-1.9 26,-2.4 -13,-0.2 2,-0.6 -0.978 40.8-108.5-164.6 168.5 34.3 -27.1 -41.2 55 132 A L E -FG 39 79C 2 -16,-2.3 -16,-1.3 -2,-0.3 24,-0.2 -0.948 39.5-158.4-109.1 115.3 36.2 -24.5 -39.2 56 133 A T E -FG 38 78C 0 22,-2.5 22,-1.8 -2,-0.6 -18,-0.3 -0.596 24.2-143.4 -90.5 151.2 38.2 -26.3 -36.5 57 134 A H E - 0 0 13 -20,-2.5 -19,-0.1 2,-0.3 3,-0.1 0.306 50.2-111.7 -86.0 6.1 39.6 -24.8 -33.3 58 135 A Y E S+ 0 0 120 -21,-0.4 2,-0.3 1,-0.3 -20,-0.1 0.895 85.7 106.0 64.4 39.9 42.7 -27.1 -33.7 59 136 A A E - 0 0 10 -22,-0.3 -22,-2.7 10,-0.0 2,-0.3 -0.975 55.9-146.5-147.7 150.9 41.6 -29.1 -30.6 60 137 A A E -F 36 0C 22 -2,-0.3 5,-0.4 -24,-0.2 -24,-0.2 -0.794 25.4 -94.9-116.4 160.1 40.1 -32.5 -30.1 61 138 A Q S S+ 0 0 4 -26,-2.0 2,-0.2 -2,-0.3 -33,-0.1 -0.995 108.8 40.4-113.0 129.3 37.7 -34.1 -27.6 62 139 A P S S+ 0 0 48 0, 0.0 2,-0.3 0, 0.0 -2,-0.1 0.560 104.0 93.8 -73.3 159.8 38.8 -35.5 -25.2 63 140 A G S S- 0 0 42 -2,-0.2 3,-0.2 -4,-0.1 -2,-0.0 -0.980 76.0 -92.8 168.3-175.8 41.6 -33.0 -24.5 64 141 A G S S+ 0 0 71 -2,-0.3 3,-0.3 1,-0.2 -3,-0.1 0.315 94.5 77.0-112.6 7.6 43.0 -29.9 -22.8 65 142 A Y + 0 0 181 -5,-0.4 -1,-0.2 1,-0.2 -4,-0.0 -0.124 50.5 121.8-112.9 37.7 42.3 -27.0 -25.1 66 143 A Y > + 0 0 51 -3,-0.2 3,-1.6 2,-0.1 2,-0.2 0.784 48.2 97.8 -69.1 -28.7 38.6 -26.4 -24.4 67 144 A N T 3 S+ 0 0 148 -3,-0.3 292,-0.1 1,-0.2 294,-0.1 -0.466 91.0 15.7 -69.1 131.2 39.1 -22.9 -23.4 68 145 A G T > S+ 0 0 41 290,-0.4 3,-1.1 -2,-0.2 -1,-0.2 0.365 89.1 118.4 88.8 3.4 38.4 -20.3 -26.2 69 146 A T T < + 0 0 4 -3,-1.6 -2,-0.1 1,-0.3 -3,-0.1 0.483 68.2 59.5 -85.1 -3.4 36.6 -23.0 -28.2 70 147 A R T 3 S+ 0 0 81 288,-0.2 -1,-0.3 -4,-0.1 2,-0.1 0.498 89.1 88.0 -97.0 -9.8 33.4 -20.9 -27.9 71 148 A G < - 0 0 37 -3,-1.1 3,-0.1 1,-0.1 0, 0.0 -0.376 68.3-144.5 -79.0 168.9 34.9 -17.8 -29.7 72 149 A D S S+ 0 0 74 1,-0.2 2,-0.5 -2,-0.1 -1,-0.1 0.803 76.0 51.8 -98.6 -43.3 34.8 -17.5 -33.5 73 150 A R + 0 0 89 3,-0.0 2,-0.3 2,-0.0 -1,-0.2 -0.857 59.7 124.8-115.7 126.9 38.1 -15.8 -34.3 74 151 A N > - 0 0 53 -2,-0.5 3,-0.8 -3,-0.1 25,-0.2 -0.943 65.2 -98.3-165.6 168.4 41.6 -16.7 -33.3 75 152 A K T 3 S+ 0 0 206 -2,-0.3 -2,-0.0 1,-0.2 25,-0.0 0.404 116.3 52.9 -75.5 -0.7 45.0 -17.4 -34.9 76 153 A L T 3 S+ 0 0 104 22,-0.1 -1,-0.2 -19,-0.0 -20,-0.1 0.557 76.9 116.7-105.9 -19.0 44.6 -21.2 -34.7 77 154 A R < - 0 0 1 -3,-0.8 22,-2.1 -20,-0.1 2,-0.3 -0.230 44.6-177.6 -53.9 141.0 41.2 -21.5 -36.5 78 155 A H E -GH 56 98C 36 -22,-1.8 -22,-2.5 20,-0.3 2,-0.5 -0.998 33.7-117.7-146.8 147.8 41.4 -23.5 -39.7 79 156 A L E +GH 55 97C 0 18,-2.6 17,-2.9 -2,-0.3 18,-1.0 -0.769 44.7 174.0 -79.6 123.9 39.3 -24.7 -42.7 80 157 A I E -GH 54 95C 0 -26,-2.4 -26,-1.9 -2,-0.5 2,-0.3 -0.876 10.7-170.3-131.7 160.6 39.3 -28.5 -42.7 81 158 A S E -GH 53 94C 4 13,-1.8 13,-2.1 -2,-0.3 2,-0.3 -0.996 11.9-174.3-153.3 149.7 37.6 -31.3 -44.7 82 159 A V E -G 52 0C 6 -30,-1.6 -30,-2.8 -2,-0.3 2,-0.2 -0.936 48.9 -86.5-128.9 157.7 36.9 -35.0 -44.9 83 160 A K E > -G 51 0C 112 -2,-0.3 3,-2.4 -32,-0.2 -32,-0.2 -0.512 62.3 -96.4 -53.6 130.3 35.2 -37.0 -47.6 84 161 A L T 3 S+ 0 0 40 -34,-2.5 -34,-0.2 1,-0.3 -1,-0.1 -0.387 116.1 41.2 -58.0 123.8 31.5 -36.8 -46.7 85 162 A G T 3 S+ 0 0 50 1,-0.5 2,-0.3 -2,-0.2 -1,-0.3 0.083 94.0 102.1 117.9 -18.6 30.7 -39.9 -44.8 86 163 A K S < S- 0 0 107 -3,-2.4 -1,-0.5 -65,-0.0 -4,-0.1 -0.752 79.6-113.0 -95.7 144.4 34.0 -39.9 -42.8 87 164 A I - 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