==== 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 30-JAN-98 1A4Q . COMPND 2 MOLECULE: NEURAMINIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: INFLUENZA B VIRUS (STRAIN B/BEIJING/1/ . AUTHOR A.CLEASBY,O.SINGH,T.SKARZYNSKI,A.J.WONACOTT . 780 2 16 16 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 27356.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 443 56.8 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 . 271 34.7 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 . 60 7.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 37 4.7 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 11 15 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 1 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 76 A E 0 0 184 0, 0.0 109,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-172.8 -2.1 17.9 -5.3 2 77 A P - 0 0 81 0, 0.0 2,-0.2 0, 0.0 108,-0.1 -0.278 360.0-114.5 -44.1 137.4 -2.6 20.9 -2.9 3 78 A E - 0 0 147 106,-0.1 2,-0.2 1,-0.1 154,-0.0 -0.483 34.6-101.8 -69.4 151.0 -6.3 21.5 -2.2 4 79 A W - 0 0 30 -2,-0.2 105,-0.3 105,-0.1 2,-0.2 -0.566 43.1-111.6 -71.5 150.2 -7.8 24.8 -3.5 5 80 A T - 0 0 24 103,-2.3 152,-2.0 -2,-0.2 153,-0.5 -0.539 32.9-177.5 -85.4 147.9 -8.1 27.5 -0.8 6 81 A Y - 0 0 108 150,-0.2 150,-0.1 -2,-0.2 2,-0.1 -0.942 38.9 -92.0-137.8 151.2 -11.4 29.0 0.6 7 82 A P - 0 0 15 0, 0.0 2,-0.2 0, 0.0 201,-0.1 -0.440 47.6-166.0 -58.3 141.0 -12.2 31.7 3.2 8 83 A R - 0 0 83 1,-0.1 272,-0.3 -2,-0.1 337,-0.1 -0.779 34.3 -73.4-121.8 169.9 -12.5 30.1 6.7 9 84 A L - 0 0 94 -2,-0.2 336,-1.7 334,-0.2 272,-0.2 -0.318 60.6-104.2 -63.0 146.0 -13.9 31.5 10.0 10 85 A S B -a 345 0A 15 270,-2.7 336,-0.2 334,-0.2 -1,-0.1 -0.365 36.7 -96.9 -69.4 153.6 -11.5 34.1 11.5 11 86 A a - 0 0 18 334,-2.2 -1,-0.1 1,-0.1 2,-0.1 -0.348 55.3 -85.9 -65.5 153.7 -9.3 33.2 14.6 12 87 A Q S S+ 0 0 182 -3,-0.1 362,-0.4 334,-0.1 2,-0.2 -0.398 76.9 114.0 -63.3 141.0 -10.8 34.4 17.9 13 88 A G - 0 0 16 360,-0.1 362,-0.2 -3,-0.1 3,-0.1 -0.839 43.7-158.0 167.6 164.0 -10.0 38.0 18.8 14 89 A S S S+ 0 0 64 360,-2.6 2,-0.3 1,-0.3 361,-0.2 0.242 74.3 43.0-146.8 8.7 -11.8 41.4 19.3 15 90 A T S S- 0 0 5 359,-1.0 358,-2.7 362,-0.1 -1,-0.3 -0.981 71.6-124.9-147.7 154.7 -9.1 44.1 18.8 16 91 A F E -B 372 0A 0 305,-0.3 2,-0.3 -2,-0.3 356,-0.3 -0.648 25.7-165.8 -91.6 159.5 -6.2 44.7 16.5 17 92 A Q E -B 371 0A 33 354,-2.2 354,-2.0 -2,-0.2 2,-0.3 -0.941 33.9 -87.7-140.2 154.7 -2.6 45.2 17.7 18 93 A K E +B 370 0A 73 -2,-0.3 352,-0.2 352,-0.2 3,-0.1 -0.528 49.3 169.5 -61.0 126.3 0.6 46.5 16.1 19 94 A A E - 0 0 50 350,-2.9 2,-0.3 1,-0.3 351,-0.2 0.835 49.7 -14.7-108.1 -52.6 2.3 43.5 14.5 20 95 A L E -B 369 0A 67 349,-1.2 349,-2.5 2,-0.0 2,-0.4 -0.998 43.9-150.5-161.1 143.1 5.3 44.5 12.3 21 96 A L E -B 368 0A 53 -2,-0.3 2,-0.6 347,-0.2 347,-0.2 -0.988 5.2-164.1-120.1 129.5 6.9 47.5 10.6 22 97 A I E +B 367 0A 4 345,-3.1 345,-2.7 -2,-0.4 65,-0.0 -0.965 19.6 166.2-110.7 109.1 8.8 47.0 7.3 23 98 A S > + 0 0 8 -2,-0.6 3,-1.7 343,-0.2 4,-0.2 -0.747 7.1 174.6-125.0 83.8 10.8 50.3 7.0 24 99 A P G > S+ 0 0 6 0, 0.0 3,-2.0 0, 0.0 -1,-0.1 0.832 74.0 64.1 -64.2 -30.5 13.4 49.6 4.3 25 100 A H G > S+ 0 0 5 1,-0.3 3,-1.3 2,-0.2 362,-0.2 0.557 76.0 85.4 -80.7 0.3 14.7 53.2 4.2 26 101 A R G < S+ 0 0 137 -3,-1.7 -1,-0.3 1,-0.3 3,-0.1 0.657 101.2 38.7 -64.4 -16.8 15.9 52.8 7.8 27 102 A F G < S+ 0 0 93 -3,-2.0 7,-0.7 -4,-0.2 -1,-0.3 0.185 91.2 92.6-118.1 20.1 18.9 51.4 5.9 28 103 A G < + 0 0 1 -3,-1.3 -2,-0.1 7,-0.1 -1,-0.1 0.263 49.3 135.2 -96.6 17.4 19.0 53.8 2.9 29 104 A E > - 0 0 62 -3,-0.1 3,-1.8 1,-0.1 5,-0.2 -0.268 63.8-122.5 -65.8 151.2 21.5 56.5 4.4 30 105 A A T 3 S+ 0 0 71 1,-0.3 -1,-0.1 3,-0.1 360,-0.0 0.813 114.7 49.4 -65.1 -26.6 24.2 57.6 2.0 31 106 A R T 3 S+ 0 0 237 2,-0.0 -1,-0.3 0, 0.0 -2,-0.1 0.437 100.0 85.7 -89.7 -1.0 26.8 56.5 4.5 32 107 A G S < S- 0 0 18 -3,-1.8 -5,-0.1 2,-0.1 -4,-0.1 -0.242 77.3-127.6 -90.8-172.0 25.2 53.0 4.9 33 108 A N + 0 0 140 -2,-0.1 2,-0.2 -6,-0.1 -5,-0.1 0.109 67.6 100.6-125.8 18.4 25.7 49.9 2.9 34 109 A S - 0 0 48 -7,-0.7 390,-0.1 -5,-0.2 -2,-0.1 -0.575 55.1-146.8-108.0 168.8 22.1 48.8 1.9 35 110 A A - 0 0 10 -2,-0.2 56,-1.8 389,-0.1 2,-0.2 -0.552 18.8-179.0-134.9 63.5 20.0 49.1 -1.2 36 111 A P B -E 90 0B 0 0, 0.0 26,-2.2 0, 0.0 54,-0.3 -0.521 34.2-115.6 -57.9 136.7 16.3 49.4 -0.3 37 112 A L E -F 61 0C 1 52,-2.0 2,-0.5 24,-0.2 24,-0.3 -0.522 20.3-119.6 -77.3 139.0 14.2 49.6 -3.4 38 113 A I E + 0 0 0 22,-3.0 20,-2.3 -2,-0.2 21,-0.5 -0.745 54.4 153.4 -80.7 123.7 12.3 52.8 -4.1 39 114 A I E -F 57 0C 10 -2,-0.5 2,-0.3 18,-0.3 18,-0.2 -0.854 29.7-170.6-142.1 168.8 8.6 51.8 -4.2 40 115 A R E +F 56 0C 17 16,-1.3 16,-2.3 -2,-0.3 325,-0.1 -0.915 64.9 45.8-153.0-180.0 5.0 52.9 -3.6 41 116 A E E S- 0 0 11 -2,-0.3 -1,-0.1 14,-0.2 62,-0.1 0.925 70.5-176.9 45.0 54.3 1.6 51.1 -3.5 42 117 A P E + 0 0 2 0, 0.0 2,-0.3 0, 0.0 13,-0.3 -0.441 8.0 166.1 -67.5 152.5 2.7 48.1 -1.2 43 118 A F E -F 54 0C 0 11,-1.8 11,-2.5 108,-0.1 2,-0.3 -0.942 23.9-136.5-157.9 167.9 0.2 45.3 -0.4 44 119 A I E +F 53 0C 0 -2,-0.3 108,-0.5 9,-0.2 2,-0.3 -0.956 16.2 179.4-131.2 145.5 0.5 41.8 1.2 45 120 A A E -F 52 0C 6 7,-1.7 7,-2.4 -2,-0.3 2,-0.3 -0.975 16.1-148.6-141.8 144.0 -1.2 38.5 0.1 46 121 A b E -F 51 0C 12 -2,-0.3 61,-0.5 292,-0.3 5,-0.3 -0.864 9.0-162.9-118.6 147.7 -0.7 35.2 1.9 47 122 A G - 0 0 7 3,-3.0 293,-0.5 -2,-0.3 63,-0.0 -0.359 53.7 -76.5-103.1-164.7 -0.8 31.6 0.8 48 123 A P S S+ 0 0 55 0, 0.0 3,-0.1 0, 0.0 -2,-0.0 0.805 127.0 20.3 -68.1 -26.7 -1.1 28.6 3.3 49 124 A K S S+ 0 0 188 1,-0.2 2,-0.3 290,-0.0 290,-0.0 0.517 125.7 20.4-119.4 -7.6 2.4 28.8 4.6 50 125 A E - 0 0 70 2,-0.0 -3,-3.0 34,-0.0 2,-0.3 -0.988 57.8-134.7-161.5 152.8 3.9 32.3 3.8 51 126 A b E -F 46 0C 14 -2,-0.3 34,-2.4 -5,-0.3 2,-0.4 -0.857 17.4-147.7-112.6 151.4 2.9 35.9 3.0 52 127 A K E -FG 45 84C 28 -7,-2.4 -7,-1.7 -2,-0.3 2,-0.7 -0.971 7.1-142.4-123.3 141.4 4.5 38.0 0.3 53 128 A H E -FG 44 83C 7 30,-3.1 30,-1.3 -2,-0.4 -9,-0.2 -0.927 26.4-169.5-109.4 108.7 5.0 41.7 0.5 54 129 A F E +FG 43 82C 0 -11,-2.5 -11,-1.8 -2,-0.7 2,-0.3 -0.550 13.7 157.0 -98.3 157.7 4.4 43.3 -2.9 55 130 A A E - G 0 81C 4 26,-1.4 26,-2.6 -13,-0.3 2,-0.6 -0.935 43.5-105.4-167.7 170.0 5.0 46.8 -4.2 56 131 A L E -FG 40 80C 0 -16,-2.3 -16,-1.3 -2,-0.3 24,-0.2 -0.933 39.2-157.8-105.0 103.9 5.6 48.8 -7.4 57 132 A T E -FG 39 79C 0 22,-2.7 22,-1.4 -2,-0.6 -18,-0.3 -0.581 23.3-142.4 -80.4 154.5 9.3 49.7 -7.6 58 133 A H E - 0 0 7 -20,-2.3 -19,-0.1 2,-0.3 -1,-0.1 0.269 52.4-111.1 -90.6 7.8 10.6 52.6 -9.7 59 134 A Y E S+ 0 0 0 -21,-0.5 2,-0.3 1,-0.3 -20,-0.1 0.893 85.4 107.5 65.8 46.4 13.6 50.2 -10.4 60 135 A A E - 0 0 0 -22,-0.4 -22,-3.0 358,-0.1 2,-0.3 -0.968 56.3-143.4-150.7 151.2 15.9 52.4 -8.3 61 136 A A E -F 37 0C 4 356,-0.4 5,-0.3 -2,-0.3 -24,-0.2 -0.821 26.3 -95.2-119.4 158.8 17.6 52.1 -4.9 62 137 A Q S S+ 0 0 6 -26,-2.2 2,-0.1 -2,-0.3 -33,-0.1 -0.985 111.4 38.1-111.5 124.5 18.4 54.4 -2.0 63 138 A P S S+ 0 0 6 0, 0.0 361,-0.4 0, 0.0 2,-0.3 0.579 103.0 101.6 -75.6 153.8 21.2 55.6 -2.0 64 139 A G S S- 0 0 0 359,-0.2 3,-0.2 -2,-0.1 354,-0.1 -0.975 74.5-101.0-174.8-170.3 21.4 56.0 -5.8 65 140 A G S S+ 0 0 26 -2,-0.3 3,-0.2 352,-0.2 -3,-0.1 0.225 94.4 77.3-119.9 16.7 21.2 58.3 -8.8 66 141 A Y + 0 0 25 -5,-0.3 -1,-0.2 1,-0.1 4,-0.1 -0.129 50.1 119.3-118.2 36.2 17.7 57.8 -10.2 67 142 A Y > + 0 0 35 -3,-0.2 3,-2.3 2,-0.1 4,-0.2 0.869 49.7 94.2 -69.0 -32.4 15.6 59.7 -7.7 68 143 A N T 3 S+ 0 0 149 1,-0.3 292,-0.1 -3,-0.2 294,-0.1 -0.446 92.6 22.2 -71.8 125.8 14.2 62.1 -10.4 69 144 A G T > S+ 0 0 21 290,-0.3 3,-1.6 -2,-0.2 -1,-0.3 0.191 87.3 113.5 102.5 -5.0 11.0 60.7 -11.6 70 145 A T T < S+ 0 0 5 -3,-2.3 -2,-0.1 1,-0.3 -3,-0.1 0.543 70.8 60.6 -80.4 0.0 10.2 58.5 -8.6 71 146 A R T 3 S+ 0 0 110 -4,-0.2 2,-0.3 288,-0.1 -1,-0.3 0.316 86.2 98.8-102.5 9.8 7.2 60.6 -7.6 72 147 A E < - 0 0 99 -3,-1.6 3,-0.1 1,-0.1 0, 0.0 -0.697 68.9-138.9 -97.9 150.7 5.4 59.9 -10.9 73 148 A D S S+ 0 0 85 -2,-0.3 2,-0.3 1,-0.1 -1,-0.1 0.890 76.6 23.5 -71.8 -45.1 2.7 57.2 -11.2 74 149 A R + 0 0 73 3,-0.0 2,-0.3 44,-0.0 -1,-0.1 -0.944 63.4 133.2-132.4 143.4 3.4 55.4 -14.6 75 150 A N - 0 0 35 -2,-0.3 3,-0.3 3,-0.1 44,-0.1 -0.938 63.4 -87.1-169.9-179.8 6.5 55.0 -16.8 76 151 A K S S+ 0 0 65 -2,-0.3 698,-0.3 1,-0.2 -2,-0.0 0.373 116.4 53.4 -82.8 0.3 8.3 52.3 -18.7 77 152 A L S S+ 0 0 20 696,-0.1 -1,-0.2 22,-0.1 335,-0.1 0.710 73.5 112.4-110.4 -22.7 10.5 51.1 -15.8 78 153 A R - 0 0 5 -3,-0.3 22,-2.2 -20,-0.1 2,-0.3 -0.165 44.4-176.5 -62.8 138.8 8.0 50.4 -12.9 79 154 A H E -GH 57 99C 0 -22,-1.4 -22,-2.7 20,-0.3 2,-0.5 -0.991 31.2-115.5-135.8 148.8 7.8 46.7 -11.9 80 155 A L E +GH 56 98C 0 18,-2.2 17,-2.8 -2,-0.3 18,-0.8 -0.710 45.6 172.9 -81.6 125.6 5.8 44.6 -9.5 81 156 A I E -GH 55 96C 2 -26,-2.6 -26,-1.4 -2,-0.5 2,-0.3 -0.820 10.4-173.3-128.6 162.4 8.3 43.1 -7.0 82 157 A S E -GH 54 95C 3 13,-1.5 13,-2.0 -2,-0.3 2,-0.3 -0.980 13.5-170.2-152.6 165.4 8.0 41.1 -3.8 83 158 A V E -G 53 0C 9 -30,-1.3 -30,-3.1 -2,-0.3 2,-0.2 -0.881 47.7 -86.9-139.5 161.1 9.8 39.6 -0.8 84 159 A K E > -G 52 0C 122 -2,-0.3 3,-2.3 -32,-0.2 -32,-0.3 -0.562 63.2 -91.5 -66.3 139.1 8.6 37.1 1.8 85 160 A L T 3 S+ 0 0 31 -34,-2.4 -34,-0.2 1,-0.3 -1,-0.1 -0.361 116.1 34.4 -60.7 131.0 6.9 39.2 4.5 86 161 A G T 3 S+ 0 0 44 1,-0.4 2,-0.3 -3,-0.1 -1,-0.3 0.169 94.3 102.9 104.2 -17.8 9.5 40.0 7.2 87 162 A K S < S- 0 0 106 -3,-2.3 -1,-0.4 -65,-0.0 -4,-0.1 -0.751 81.3-109.7 -92.5 152.3 12.4 40.3 4.8 88 163 A I - 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