==== 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) 07-JUL-95 1INF . 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) . 15565.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 230 59.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 7 1.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 140 35.9 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 . 8 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 . 3 0.8 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 9.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 18 4.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), 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 . 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 . 2 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 . 1 1 1 1 3 9 2 1 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 0 3 2 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 77 A E 0 0 185 0, 0.0 109,-0.0 0, 0.0 2,-0.0 0.000 360.0 360.0 360.0 175.3 50.7 -1.4 31.1 2 78 A P - 0 0 70 0, 0.0 2,-0.2 0, 0.0 108,-0.1 -0.210 360.0-111.0 -72.9 177.7 50.2 -4.6 33.0 3 79 A E - 0 0 121 106,-0.2 2,-0.3 1,-0.1 155,-0.1 -0.523 30.3 -90.3-106.1 172.1 47.3 -7.0 32.2 4 80 A W - 0 0 47 -2,-0.2 105,-0.2 153,-0.1 2,-0.2 -0.639 43.2-117.4 -84.9 142.0 44.1 -8.0 34.0 5 81 A T + 0 0 19 103,-2.2 152,-2.2 -2,-0.3 153,-0.5 -0.545 34.2 176.6 -81.2 143.6 44.3 -11.0 36.4 6 82 A Y - 0 0 117 150,-0.2 2,-0.3 -2,-0.2 150,-0.1 -0.899 37.8 -94.5-138.7 160.1 42.2 -14.2 35.8 7 83 A P - 0 0 12 0, 0.0 2,-0.2 0, 0.0 201,-0.1 -0.673 42.6-171.8 -82.6 136.5 42.0 -17.5 37.6 8 84 A R - 0 0 80 -2,-0.3 272,-0.2 1,-0.1 2,-0.2 -0.461 39.4 -67.9-109.1-172.7 44.3 -20.1 36.1 9 85 A L - 0 0 94 334,-0.3 336,-1.7 -2,-0.2 272,-0.2 -0.540 60.2-101.1 -77.8 149.5 44.5 -23.8 36.9 10 86 A S B -a 345 0A 14 270,-2.5 336,-0.2 334,-0.2 2,-0.2 -0.217 40.2 -98.7 -64.4 159.0 45.8 -24.7 40.4 11 87 A a - 0 0 18 334,-2.8 2,-0.1 1,-0.1 -1,-0.1 -0.513 52.2 -93.9 -74.6 149.5 49.4 -25.9 40.8 12 88 A Q S S+ 0 0 148 -2,-0.2 362,-0.4 -3,-0.1 2,-0.3 -0.447 73.4 112.9 -72.5 138.3 49.6 -29.6 41.0 13 89 A G - 0 0 3 -2,-0.1 362,-0.2 360,-0.1 3,-0.1 -0.926 45.4-151.0-179.8 179.3 49.6 -31.1 44.5 14 90 A S S S+ 0 0 50 360,-3.2 2,-0.3 1,-0.3 361,-0.2 0.479 70.6 44.9-146.0 -16.9 47.3 -33.2 46.6 15 91 A T - 0 0 7 359,-1.8 358,-2.2 358,-0.2 2,-0.4 -0.828 69.2-122.7-129.6 170.5 47.8 -32.4 50.3 16 92 A F E -B 372 0A 0 -2,-0.3 2,-0.3 356,-0.3 356,-0.2 -0.904 25.5-172.2-115.1 139.4 48.2 -29.3 52.5 17 93 A Q E -B 371 0A 35 354,-2.5 354,-2.0 -2,-0.4 361,-0.1 -0.960 35.5 -91.1-135.1 151.8 51.2 -28.6 54.7 18 94 A K E +B 370 0A 75 -2,-0.3 352,-0.2 362,-0.3 3,-0.1 -0.328 47.1 169.0 -53.7 134.7 52.1 -26.0 57.3 19 95 A A E - 0 0 54 350,-2.6 2,-0.3 1,-0.5 351,-0.2 0.736 52.1 -13.7-122.0 -42.9 53.8 -23.1 55.5 20 96 A L E -B 369 0A 63 349,-1.3 349,-2.0 2,-0.0 -1,-0.5 -0.977 46.5-154.3-161.2 157.1 54.3 -20.1 57.8 21 97 A L E -B 368 0A 49 -2,-0.3 2,-0.5 347,-0.2 347,-0.2 -0.972 4.6-159.5-137.0 143.3 53.1 -18.7 61.1 22 98 A I E +B 367 0A 5 345,-2.1 345,-2.1 -2,-0.3 65,-0.0 -0.914 19.0 167.4-124.3 98.2 53.0 -15.0 62.0 23 99 A S > + 0 0 8 -2,-0.5 3,-2.1 343,-0.2 4,-0.3 -0.671 4.6 175.0-115.0 79.1 52.9 -14.7 65.8 24 100 A P G > S+ 0 0 3 0, 0.0 3,-1.6 0, 0.0 -1,-0.1 0.776 74.9 63.4 -50.7 -35.1 53.6 -11.0 66.5 25 101 A H G > S+ 0 0 7 1,-0.3 3,-1.2 2,-0.2 362,-0.2 0.432 76.8 81.4 -78.0 1.7 53.0 -11.4 70.3 26 102 A R G < S+ 0 0 138 -3,-2.1 -1,-0.3 1,-0.3 3,-0.2 0.723 102.2 44.8 -71.0 -18.9 56.0 -13.7 70.6 27 103 A F G < S+ 0 0 100 -3,-1.6 -1,-0.3 -4,-0.3 7,-0.2 -0.122 90.1 87.0-113.6 32.2 57.6 -10.3 70.6 28 104 A G < + 0 0 1 -3,-1.2 -1,-0.1 7,-0.1 -3,-0.1 0.096 50.5 136.9-124.5 28.6 55.3 -8.3 73.0 29 105 A E - 0 0 53 -3,-0.2 3,-0.5 1,-0.1 5,-0.3 -0.270 63.0-121.9 -68.6 158.5 56.8 -9.0 76.4 30 106 A I S S+ 0 0 133 1,-0.2 -1,-0.1 3,-0.1 360,-0.0 0.870 117.1 49.0 -69.6 -35.4 57.1 -6.1 78.8 31 107 A K S S+ 0 0 189 2,-0.0 -1,-0.2 0, 0.0 2,-0.1 0.569 100.0 86.7 -78.9 -10.5 60.9 -6.9 79.0 32 108 A G S S- 0 0 24 -3,-0.5 -5,-0.1 2,-0.1 -4,-0.0 -0.370 77.0-130.7 -85.6 170.4 61.1 -7.0 75.2 33 109 A N + 0 0 171 -2,-0.1 2,-0.2 2,-0.0 -5,-0.1 -0.143 68.1 98.3-114.1 38.6 61.7 -4.1 72.8 34 110 A S - 0 0 63 -5,-0.3 -2,-0.1 -7,-0.2 56,-0.0 -0.638 52.7-152.7-120.4 175.7 59.0 -4.5 70.2 35 111 A A - 0 0 36 -2,-0.2 56,-1.5 26,-0.1 2,-0.3 -0.607 15.0-177.7-147.3 73.1 55.5 -3.2 69.4 36 112 A P B -E 90 0B 0 0, 0.0 26,-2.0 0, 0.0 54,-0.3 -0.654 36.5-108.9 -73.5 140.5 53.3 -5.6 67.5 37 113 A L E -F 61 0C 6 52,-2.3 2,-0.7 -2,-0.3 24,-0.2 -0.398 25.3-118.0 -67.3 144.9 50.0 -4.1 66.6 38 114 A I E + 0 0 0 22,-3.0 20,-2.4 326,-0.1 22,-0.4 -0.804 54.1 158.1 -83.8 113.0 46.9 -5.4 68.5 39 115 A I E -F 57 0C 10 -2,-0.7 326,-0.3 18,-0.2 2,-0.3 -0.784 29.0-173.8-132.9 179.8 44.6 -6.9 65.7 40 116 A R E +F 56 0C 13 16,-0.8 16,-1.9 -2,-0.2 325,-0.0 -0.928 64.6 42.6-161.5 171.8 41.8 -9.3 64.7 41 117 A E E S- 0 0 8 -2,-0.3 2,-0.2 14,-0.2 -1,-0.2 0.944 72.5-177.3 45.4 59.1 40.1 -10.6 61.6 42 118 A P E + 0 0 1 0, 0.0 2,-0.3 0, 0.0 13,-0.2 -0.568 7.5 168.6 -83.4 156.7 43.3 -11.1 59.7 43 119 A F E -F 54 0C 0 11,-2.0 11,-2.6 -2,-0.2 2,-0.4 -0.937 24.5-132.8-155.6 167.9 43.3 -12.2 56.0 44 120 A V E +F 53 0C 1 -2,-0.3 108,-0.4 9,-0.2 2,-0.3 -0.998 19.0 178.9-132.7 139.6 45.8 -12.5 53.2 45 121 A A E -F 52 0C 3 7,-1.9 7,-2.8 -2,-0.4 2,-0.3 -0.989 12.1-153.6-138.2 142.6 45.4 -11.4 49.5 46 122 A b E -F 51 0C 21 -2,-0.3 61,-0.6 5,-0.3 5,-0.3 -0.780 10.2-164.1-120.7 164.7 47.9 -11.6 46.7 47 123 A G - 0 0 8 3,-2.7 293,-0.5 -2,-0.3 65,-0.0 -0.595 52.2 -82.3-125.4-173.5 48.8 -10.0 43.4 48 124 A P S S+ 0 0 57 0, 0.0 3,-0.1 0, 0.0 -2,-0.0 0.816 129.6 31.2 -65.9 -25.5 51.0 -11.3 40.6 49 125 A K S S+ 0 0 194 1,-0.3 2,-0.3 292,-0.0 -3,-0.0 0.523 125.5 1.2-109.9 -13.4 54.1 -10.1 42.5 50 126 A E - 0 0 64 2,-0.0 -3,-2.7 34,-0.0 2,-0.3 -0.967 51.3-127.6-172.2 160.4 53.2 -10.4 46.1 51 127 A b E -F 46 0C 14 -2,-0.3 34,-2.6 -5,-0.3 2,-0.4 -0.856 25.2-156.6-111.0 146.9 50.9 -11.3 48.9 52 128 A R E -FG 45 84C 33 -7,-2.8 -7,-1.9 -2,-0.3 2,-0.6 -0.936 13.7-131.1-127.8 150.1 50.0 -8.9 51.7 53 129 A H E -FG 44 83C 10 30,-3.2 30,-1.8 -2,-0.4 2,-0.2 -0.893 28.9-169.4-105.0 114.2 48.8 -9.6 55.2 54 130 A F E +FG 43 82C 1 -11,-2.6 -11,-2.0 -2,-0.6 2,-0.3 -0.683 13.7 152.2-102.5 159.9 45.7 -7.5 56.2 55 131 A A E - G 0 81C 7 26,-1.8 26,-2.7 -13,-0.2 2,-0.6 -0.974 44.4-106.3-172.3 172.2 44.0 -7.0 59.5 56 132 A L E -FG 40 80C 0 -16,-1.9 -16,-0.8 -2,-0.3 24,-0.2 -0.928 37.8-157.5-117.0 101.3 41.9 -4.6 61.6 57 133 A T E -FG 39 79C 0 22,-2.6 22,-1.6 -2,-0.6 -18,-0.2 -0.416 21.8-138.7 -78.4 155.8 44.0 -3.1 64.3 58 134 A H E - 0 0 16 -20,-2.4 20,-0.2 2,-0.3 -19,-0.1 -0.020 51.1-110.2 -96.1 21.2 42.5 -1.6 67.4 59 135 A Y E S+ 0 0 114 -21,-0.2 2,-0.3 20,-0.2 -20,-0.1 0.802 88.0 98.5 53.2 36.8 45.1 1.2 66.9 60 136 A A E - 0 0 10 -22,-0.4 -22,-3.0 4,-0.0 -2,-0.3 -0.973 58.3-144.1-146.2 156.5 47.2 0.1 70.0 61 137 A A E -F 37 0C 19 -2,-0.3 5,-0.3 -24,-0.2 -24,-0.2 -0.753 27.3 -82.8-122.2 169.4 50.3 -2.0 70.4 62 138 A Q S S+ 0 0 4 -26,-2.0 2,-0.1 -2,-0.2 -33,-0.1 -0.980 114.2 30.5-120.7 124.9 51.7 -4.6 72.9 63 139 A P S S+ 0 0 51 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 0.581 102.7 113.5 -79.8 150.9 53.0 -3.7 75.3 64 140 A G - 0 0 45 -2,-0.1 3,-0.1 -4,-0.1 -2,-0.1 -0.862 68.0-109.5-157.3-164.8 50.9 -0.5 75.6 65 141 A G S S+ 0 0 69 -2,-0.3 3,-0.2 1,-0.1 -3,-0.1 0.225 91.9 78.1-128.5 15.2 48.3 1.2 77.7 66 142 A Y + 0 0 189 -5,-0.3 -1,-0.1 1,-0.1 4,-0.1 -0.364 48.7 126.6-121.8 52.4 45.1 1.1 75.6 67 143 A Y > + 0 0 53 -3,-0.1 3,-1.5 2,-0.1 4,-0.4 0.664 43.4 97.0 -79.2 -26.0 43.9 -2.5 76.1 68 144 A N T 3 S+ 0 0 164 1,-0.2 292,-0.1 -3,-0.2 294,-0.1 -0.570 92.5 23.1 -66.9 128.6 40.4 -1.7 77.2 69 145 A G T > S+ 0 0 19 -2,-0.3 3,-1.5 290,-0.3 -1,-0.2 0.087 89.5 108.0 101.2 -21.0 38.2 -2.0 74.2 70 146 A T T < S+ 0 0 4 -3,-1.5 -2,-0.1 1,-0.3 292,-0.1 0.837 76.5 56.7 -59.1 -32.8 40.5 -4.4 72.3 71 147 A R T 3 S+ 0 0 70 -4,-0.4 -1,-0.3 290,-0.2 2,-0.1 0.661 95.2 80.9 -74.6 -17.2 38.1 -7.2 72.8 72 148 A K S < S- 0 0 98 -3,-1.5 3,-0.1 1,-0.1 0, 0.0 -0.476 73.0-138.2 -87.6 165.2 35.2 -5.4 71.2 73 149 A D S S+ 0 0 74 1,-0.1 2,-0.4 -2,-0.1 -1,-0.1 0.698 72.7 50.1 -98.1 -24.4 34.6 -5.2 67.4 74 150 A R + 0 0 78 -5,-0.1 2,-0.3 44,-0.0 -1,-0.1 -0.962 57.7 114.1-132.6 134.8 33.5 -1.7 66.6 75 151 A N - 0 0 36 -2,-0.4 3,-0.3 -3,-0.1 25,-0.1 -0.970 67.0 -89.1-174.3 170.4 34.7 1.8 67.3 76 152 A K S S+ 0 0 204 -2,-0.3 -2,-0.0 1,-0.2 42,-0.0 0.417 116.1 56.5 -72.2 -3.2 36.1 5.0 65.9 77 153 A L S S+ 0 0 102 22,-0.0 -1,-0.2 2,-0.0 -18,-0.1 0.797 75.8 111.7 -99.5 -31.6 39.8 3.9 66.3 78 154 A R - 0 0 4 -3,-0.3 22,-2.1 -20,-0.2 2,-0.3 -0.077 43.8-176.8 -50.6 133.8 39.8 0.6 64.3 79 155 A H E -GH 57 99C 38 -22,-1.6 -22,-2.6 20,-0.3 2,-0.6 -0.984 31.7-120.4-135.5 143.0 41.8 0.7 61.1 80 156 A L E -GH 56 98C 0 18,-1.8 17,-2.4 -2,-0.3 18,-0.7 -0.720 44.5-179.0 -80.0 116.2 42.5 -1.8 58.2 81 157 A V E -GH 55 96C 3 -26,-2.7 -26,-1.8 -2,-0.6 2,-0.3 -0.741 9.6-168.7-116.1 164.9 46.3 -2.3 58.2 82 158 A S E +GH 54 95C 2 13,-1.3 13,-1.9 -2,-0.2 2,-0.3 -0.992 13.8 179.4-156.0 149.5 48.7 -4.3 56.1 83 159 A V E -G 53 0C 3 -30,-1.8 -30,-3.2 -2,-0.3 2,-0.2 -0.864 48.1 -86.8-136.5 163.1 52.3 -5.6 55.9 84 160 A K E > -G 52 0C 91 -2,-0.3 3,-2.5 -32,-0.3 2,-0.4 -0.514 60.0 -88.7 -71.4 146.2 53.8 -7.8 53.1 85 161 A L T 3 S+ 0 0 35 -34,-2.6 -34,-0.2 1,-0.3 -1,-0.1 -0.416 119.3 33.2 -61.8 113.9 53.3 -11.5 53.9 86 162 A G T 3 S+ 0 0 46 1,-0.6 2,-0.3 -2,-0.4 -1,-0.3 0.105 94.2 103.4 126.1 -21.1 56.3 -12.5 55.9 87 163 A K S < S- 0 0 107 -3,-2.5 -1,-0.6 -65,-0.0 -4,-0.1 -0.679 77.9-113.2 -92.4 149.1 56.8 -9.2 57.8 88 164 A I - 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