==== 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 (O-GLYCOSYL) 12-DEC-94 1IVB . COMPND 2 MOLECULE: INFLUENZA VIRUS B/LEE/40 NEURAMINIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: INFLUENZA B VIRUS; . AUTHOR M.J.JEDRZEJAS,M.LUO . 390 1 8 8 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15570.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 231 59.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 11 2.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 135 34.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 7 1.8 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 . 44 11.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 16 4.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 3 0.8 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 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 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 PARALLEL BRIDGES PER LADDER . 2 1 1 2 6 6 2 0 1 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 1 5 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 77 A E 0 0 179 0, 0.0 109,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-176.9 52.3 -2.1 32.2 2 78 A P - 0 0 61 0, 0.0 2,-0.3 0, 0.0 108,-0.1 -0.195 360.0-138.9 -61.8 155.8 50.4 -4.8 34.3 3 79 A E - 0 0 146 106,-0.2 2,-0.0 1,-0.1 154,-0.0 -0.798 29.5 -87.6-115.7 156.3 47.6 -7.1 33.0 4 80 A W - 0 0 42 -2,-0.3 105,-0.2 105,-0.1 2,-0.2 -0.300 41.4-122.1 -66.2 143.2 44.3 -8.3 34.7 5 81 A T + 0 0 24 103,-0.4 152,-2.5 -2,-0.0 153,-0.3 -0.558 31.2 171.0 -86.3 147.6 44.2 -11.5 37.0 6 82 A Y - 0 0 108 150,-0.2 2,-0.2 -2,-0.2 150,-0.1 -0.924 41.6 -98.4-147.0 155.3 42.1 -14.6 36.4 7 83 A P - 0 0 12 0, 0.0 2,-0.2 0, 0.0 3,-0.1 -0.569 40.7-169.6 -80.7 153.1 42.3 -17.8 38.3 8 84 A R - 0 0 76 -2,-0.2 272,-0.2 1,-0.1 2,-0.2 -0.485 43.2 -58.3-119.4-166.0 44.3 -20.6 36.6 9 85 A L - 0 0 83 334,-0.2 336,-1.6 -2,-0.2 272,-0.2 -0.580 64.7-109.0 -79.1 141.3 44.6 -24.2 37.5 10 86 A S B -a 345 0A 12 270,-2.2 336,-0.2 334,-0.3 -1,-0.1 -0.314 40.1 -92.0 -63.3 156.1 46.0 -24.6 40.9 11 87 A a - 0 0 19 334,-1.9 2,-0.4 1,-0.1 -1,-0.1 -0.214 53.2 -88.6 -62.3 167.3 49.5 -25.9 41.3 12 88 A Q S S+ 0 0 169 -3,-0.1 362,-0.4 334,-0.0 2,-0.3 -0.683 70.7 119.3 -87.0 127.1 50.0 -29.7 41.7 13 89 A G - 0 0 9 -2,-0.4 362,-0.2 360,-0.1 3,-0.1 -0.939 45.8-148.1-168.4 176.8 49.8 -31.1 45.2 14 90 A S S S+ 0 0 69 360,-4.3 2,-0.3 1,-0.4 361,-0.2 0.510 78.3 18.3-134.8 -20.9 47.7 -33.6 47.2 15 91 A T S S- 0 0 0 359,-1.3 358,-2.3 358,-0.1 -1,-0.4 -0.884 74.0-112.0-145.7 169.2 47.8 -32.3 50.8 16 92 A F E -B 372 0A 0 356,-0.3 356,-0.3 -2,-0.3 2,-0.3 -0.762 28.9-166.8-102.1 154.0 48.5 -29.1 52.6 17 93 A Q E -B 371 0A 36 354,-2.7 354,-2.1 -2,-0.3 2,-0.5 -0.852 37.6 -78.0-133.7 169.5 51.5 -28.8 54.9 18 94 A K E +B 370 0A 76 -2,-0.3 352,-0.3 352,-0.2 3,-0.1 -0.623 50.0 170.2 -74.1 117.6 52.5 -26.1 57.5 19 95 A A E - 0 0 53 350,-2.0 2,-0.3 -2,-0.5 351,-0.2 0.926 47.9 -12.6 -93.8 -66.8 53.8 -23.1 55.8 20 96 A L E -B 369 0A 66 349,-0.5 349,-2.8 2,-0.0 2,-0.4 -0.968 40.6-152.3-148.7 159.0 54.3 -20.1 58.2 21 97 A L E -B 368 0A 57 -2,-0.3 2,-0.6 347,-0.2 347,-0.2 -0.983 2.6-172.0-137.5 126.2 53.6 -18.5 61.6 22 98 A I E +B 367 0A 4 345,-1.9 345,-1.5 -2,-0.4 3,-0.1 -0.943 15.0 167.2-115.6 100.7 53.4 -14.8 62.5 23 99 A S > + 0 0 9 -2,-0.6 3,-1.0 343,-0.2 4,-0.1 -0.859 4.5 173.7-120.3 91.6 53.2 -14.6 66.3 24 100 A P G > S+ 0 0 4 0, 0.0 3,-2.3 0, 0.0 -1,-0.1 0.887 74.9 63.0 -66.1 -37.2 53.9 -10.9 67.1 25 101 A H G > S+ 0 0 8 1,-0.3 3,-1.6 340,-0.2 362,-0.2 0.537 81.5 77.6 -71.5 -4.0 53.2 -11.3 70.8 26 102 A R G < S+ 0 0 133 -3,-1.0 -1,-0.3 1,-0.3 3,-0.2 0.619 103.8 43.0 -72.3 -14.2 56.1 -13.6 71.1 27 103 A F G < S+ 0 0 106 -3,-2.3 -1,-0.3 -4,-0.1 7,-0.3 -0.080 93.2 89.2-120.9 31.6 57.8 -10.2 71.0 28 104 A G < + 0 0 0 -3,-1.6 -2,-0.1 7,-0.1 -1,-0.1 0.257 48.2 134.9-116.8 13.9 55.4 -8.4 73.3 29 105 A E > - 0 0 57 -3,-0.2 3,-1.9 1,-0.1 5,-0.3 -0.268 64.7-123.6 -59.9 147.9 56.8 -8.9 76.8 30 106 A I T 3 S+ 0 0 119 1,-0.3 -1,-0.1 3,-0.1 360,-0.0 0.716 117.7 53.3 -62.2 -21.6 57.0 -5.9 79.0 31 107 A K T 3 S+ 0 0 166 2,-0.0 -1,-0.3 0, 0.0 2,-0.2 0.262 96.3 88.7 -94.4 1.7 60.7 -6.8 79.2 32 108 A G S < S- 0 0 22 -3,-1.9 -5,-0.1 2,-0.1 -4,-0.0 -0.495 75.6-135.0 -92.8 173.8 61.0 -6.8 75.4 33 109 A N S S+ 0 0 169 -2,-0.2 2,-0.2 2,-0.0 -5,-0.1 -0.043 70.4 100.1-117.7 26.4 61.8 -3.8 73.2 34 110 A S - 0 0 56 -5,-0.3 -2,-0.1 -7,-0.3 56,-0.0 -0.647 55.9-149.6-114.6 169.4 59.1 -4.5 70.6 35 111 A A + 0 0 34 -2,-0.2 56,-1.6 26,-0.1 2,-0.3 -0.603 14.5 177.9-143.7 78.1 55.6 -3.3 69.7 36 112 A P B -E 90 0B 0 0, 0.0 26,-2.9 0, 0.0 54,-0.3 -0.669 33.1-116.9 -80.7 137.8 53.1 -5.7 68.1 37 113 A L E -F 61 0C 6 52,-2.0 2,-0.6 -2,-0.3 24,-0.3 -0.362 20.2-113.7 -75.8 145.7 49.7 -4.2 67.4 38 114 A I E + 0 0 0 22,-3.5 20,-2.1 -2,-0.1 22,-0.5 -0.744 60.2 148.0 -78.9 119.1 46.5 -5.5 69.1 39 115 A I E +F 57 0C 11 -2,-0.6 326,-1.2 18,-0.3 2,-0.3 -0.943 25.6 174.4-146.3 170.6 44.6 -6.9 66.1 40 116 A R E +F 56 0C 18 16,-1.3 16,-2.1 -2,-0.3 324,-0.0 -0.888 59.2 64.4-162.6 179.6 42.2 -9.6 65.1 41 117 A E E S- 0 0 11 -2,-0.3 2,-0.2 14,-0.2 -1,-0.1 0.955 71.8-179.5 58.7 45.5 40.3 -10.5 61.9 42 118 A P E + 0 0 4 0, 0.0 2,-0.3 0, 0.0 13,-0.2 -0.496 7.6 163.0 -77.8 152.8 43.6 -11.2 60.1 43 119 A F E -F 54 0C 0 11,-2.0 11,-3.1 -2,-0.2 2,-0.4 -0.972 29.0-133.3-162.4 162.4 43.7 -12.3 56.4 44 120 A V E -F 53 0C 0 -2,-0.3 2,-0.4 9,-0.2 108,-0.3 -0.985 13.6-173.4-125.1 136.1 46.1 -12.5 53.5 45 121 A A E -F 52 0C 3 7,-1.7 7,-2.3 -2,-0.4 2,-0.6 -0.998 16.2-149.4-128.2 125.8 45.4 -11.4 50.0 46 122 A b E -F 51 0C 12 -2,-0.4 5,-0.3 292,-0.3 61,-0.2 -0.898 11.7-170.7-104.3 116.3 48.1 -12.3 47.5 47 123 A G - 0 0 3 3,-3.3 293,-0.5 -2,-0.6 61,-0.1 -0.284 46.3 -81.2 -84.3-171.3 48.7 -10.0 44.5 48 124 A P S S+ 0 0 55 0, 0.0 292,-0.2 0, 0.0 62,-0.0 0.946 126.1 19.1 -52.4 -67.6 50.9 -11.0 41.5 49 125 A K S S+ 0 0 198 60,-0.1 2,-0.3 1,-0.1 -3,-0.0 0.444 130.8 23.5 -87.3 -4.4 54.4 -10.2 43.0 50 126 A E - 0 0 68 2,-0.0 -3,-3.3 34,-0.0 2,-0.4 -1.000 55.5-137.7-163.2 159.3 53.3 -10.2 46.7 51 127 A b E -F 46 0C 19 -2,-0.3 34,-2.4 -5,-0.3 2,-0.4 -0.908 22.2-153.6-116.6 147.5 51.1 -11.2 49.5 52 128 A R E -FG 45 84C 23 -7,-2.3 -7,-1.7 -2,-0.4 2,-0.7 -0.960 10.2-141.8-123.6 141.3 49.9 -8.9 52.3 53 129 A H E -FG 44 83C 14 30,-3.2 30,-1.3 -2,-0.4 -9,-0.2 -0.906 29.3-173.8-103.3 109.1 48.9 -9.7 55.8 54 130 A F E +FG 43 82C 0 -11,-3.1 -11,-2.0 -2,-0.7 2,-0.3 -0.611 11.7 154.7-102.4 164.3 45.9 -7.5 56.8 55 131 A A E - G 0 81C 7 26,-1.2 26,-2.8 -13,-0.2 2,-0.6 -0.941 44.5-104.4-176.6 162.9 44.1 -7.1 60.1 56 132 A L E -FG 40 80C 1 -16,-2.1 -16,-1.3 -2,-0.3 2,-0.3 -0.938 38.4-160.6-104.3 111.3 42.0 -4.6 62.2 57 133 A T E -FG 39 79C 0 22,-2.2 22,-1.4 -2,-0.6 -18,-0.3 -0.675 24.3-133.6 -89.2 154.7 44.1 -3.1 64.9 58 134 A H E - 0 0 15 -20,-2.1 20,-0.2 2,-0.3 -19,-0.1 0.083 54.3-103.4 -94.1 24.4 42.6 -1.5 67.9 59 135 A Y E S+ 0 0 125 -21,-0.3 2,-0.3 1,-0.2 -20,-0.1 0.870 92.6 109.6 54.0 42.2 45.2 1.3 67.3 60 136 A A E - 0 0 7 -22,-0.5 -22,-3.5 4,-0.0 -2,-0.3 -0.981 54.4-151.4-146.0 153.6 47.1 -0.2 70.2 61 137 A A E -F 37 0C 24 -2,-0.3 -24,-0.3 -24,-0.3 5,-0.2 -0.859 27.5 -93.8-125.5 161.9 50.3 -2.2 70.8 62 138 A Q S S+ 0 0 5 -26,-2.9 2,-0.1 -2,-0.3 -33,-0.1 -0.982 105.3 40.3-121.1 126.8 51.6 -4.7 73.3 63 139 A P S S+ 0 0 48 0, 0.0 2,-0.3 0, 0.0 -2,-0.1 0.522 100.6 88.5 -73.8 156.9 53.1 -3.8 75.8 64 140 A G S S- 0 0 53 -2,-0.1 -2,-0.1 -4,-0.1 3,-0.1 -0.907 77.7 -94.9-178.9-152.3 51.1 -0.7 76.6 65 141 A G S S+ 0 0 63 -2,-0.3 -3,-0.1 -4,-0.1 297,-0.0 -0.349 91.0 84.8-156.6 58.6 48.1 0.6 78.5 66 142 A Y + 0 0 188 -5,-0.2 4,-0.1 0, 0.0 -1,-0.0 -0.189 51.0 121.2-148.2 32.5 45.1 0.7 76.1 67 143 A Y > + 0 0 47 2,-0.1 3,-1.7 295,-0.1 2,-0.6 0.816 47.9 88.1 -71.4 -37.0 44.1 -2.9 76.6 68 144 A N T 3 S+ 0 0 142 1,-0.2 292,-0.1 2,-0.1 294,-0.1 -0.588 92.9 31.6 -70.5 111.7 40.6 -2.2 77.8 69 145 A G T > S+ 0 0 26 -2,-0.6 3,-1.1 6,-0.0 -1,-0.2 -0.003 88.9 102.3 128.8 -22.6 38.5 -2.0 74.6 70 146 A T T < S+ 0 0 6 -3,-1.7 -2,-0.1 291,-0.3 292,-0.1 0.744 75.3 55.7 -62.0 -31.5 40.5 -4.6 72.7 71 147 A R T 3 S+ 0 0 99 -4,-0.3 -1,-0.2 290,-0.2 2,-0.1 0.681 92.2 92.5 -78.4 -13.3 38.0 -7.5 73.1 72 148 A K S < S- 0 0 102 -3,-1.1 3,-0.1 1,-0.1 0, 0.0 -0.466 70.7-144.3 -79.5 148.5 35.2 -5.3 71.6 73 149 A D S S+ 0 0 74 1,-0.2 2,-0.4 -2,-0.1 -1,-0.1 0.859 74.2 37.7 -83.4 -40.0 34.6 -5.5 67.9 74 150 A R + 0 0 84 3,-0.0 2,-0.3 4,-0.0 -1,-0.2 -0.958 62.9 127.0-126.3 129.9 33.7 -2.0 66.8 75 151 A N - 0 0 34 -2,-0.4 3,-0.1 -3,-0.1 44,-0.1 -0.923 65.8 -91.6-156.5-179.3 34.9 1.4 68.0 76 152 A K S S+ 0 0 196 -2,-0.3 -18,-0.0 1,-0.2 -2,-0.0 0.453 115.3 57.6 -83.0 0.1 36.3 4.6 66.5 77 153 A L S S+ 0 0 96 22,-0.0 -1,-0.2 -19,-0.0 -20,-0.1 0.745 75.5 108.4 -99.0 -29.3 40.0 3.5 66.8 78 154 A R - 0 0 5 -20,-0.2 22,-0.7 -3,-0.1 2,-0.3 -0.048 45.1-179.9 -49.5 150.2 40.1 0.3 64.8 79 155 A H E -GH 57 99C 35 -22,-1.4 -22,-2.2 20,-0.2 2,-0.6 -0.990 33.9-114.0-153.9 154.6 41.9 0.4 61.4 80 156 A L E +GH 56 98C 0 18,-2.1 17,-2.9 -2,-0.3 18,-0.7 -0.820 45.6 173.8 -91.9 116.6 42.7 -1.9 58.5 81 157 A V E -GH 55 96C 4 -26,-2.8 -26,-1.2 -2,-0.6 2,-0.3 -0.711 11.0-167.3-118.1 169.4 46.5 -2.3 58.5 82 158 A S E -GH 54 95C 0 13,-1.4 13,-2.2 -2,-0.2 2,-0.3 -0.983 13.2-174.6-157.6 153.6 48.9 -4.5 56.4 83 159 A V E -G 53 0C 2 -30,-1.3 -30,-3.2 -2,-0.3 11,-0.1 -0.937 46.1 -95.0-141.2 146.8 52.5 -5.7 56.3 84 160 A K E > -G 52 0C 86 -2,-0.3 3,-1.6 -32,-0.2 -32,-0.3 -0.401 62.4 -83.0 -62.4 148.8 53.9 -7.7 53.5 85 161 A L T 3 S+ 0 0 33 -34,-2.4 -1,-0.1 1,-0.2 -34,-0.1 -0.364 116.8 33.4 -63.6 123.5 53.7 -11.4 54.4 86 162 A G T 3 S+ 0 0 42 1,-0.5 2,-0.3 -2,-0.2 -1,-0.2 0.276 94.1 108.9 114.9 -7.3 56.5 -12.7 56.6 87 163 A K S < S- 0 0 98 -3,-1.6 -1,-0.5 -65,-0.0 -4,-0.1 -0.793 74.5-115.1-100.6 143.0 56.9 -9.4 58.4 88 164 A I - 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