==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=2-OCT-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 09-MAR-04 1VCJ . COMPND 2 MOLECULE: NEURAMINIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: INFLUENZA B VIRUS (B/LEE/40); . AUTHOR B.S.LOMMER,S.M.ALI,S.N.BAJPAI,W.J.BROUILLETTE,G.M.AIR,M.LUO . 389 1 8 8 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15356.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 234 60.2 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 . 139 35.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.5 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 . 2 0.5 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 . 40 10.3 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 . 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 4 8 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 78 A P 0 0 119 0, 0.0 2,-0.3 0, 0.0 108,-0.1 0.000 360.0 360.0 360.0 141.0 49.9 -4.4 33.8 2 79 A E - 0 0 155 106,-0.1 155,-0.1 1,-0.1 154,-0.0 -0.766 360.0 -88.1-101.2 150.8 47.4 -6.9 32.5 3 80 A W - 0 0 38 -2,-0.3 105,-0.2 153,-0.1 2,-0.2 0.008 38.4-116.9 -60.3 147.6 44.3 -8.2 34.4 4 81 A T + 0 0 27 103,-1.6 152,-2.1 102,-0.1 153,-0.4 -0.558 32.3 179.3 -80.4 144.3 44.4 -11.1 36.8 5 82 A Y - 0 0 113 -2,-0.2 2,-0.2 150,-0.2 150,-0.1 -0.971 38.1 -98.1-140.3 149.8 42.3 -14.2 36.0 6 83 A P - 0 0 16 0, 0.0 2,-0.2 0, 0.0 3,-0.1 -0.530 45.9-169.9 -71.3 140.6 42.0 -17.5 38.0 7 84 A R - 0 0 75 -2,-0.2 272,-0.2 1,-0.1 336,-0.1 -0.584 36.2 -65.9-115.5-175.8 44.4 -20.1 36.5 8 85 A L - 0 0 93 334,-0.3 336,-2.1 -2,-0.2 272,-0.2 -0.435 59.0-107.3 -70.4 147.2 44.7 -23.9 37.2 9 86 A S B -a 344 0A 11 270,-2.3 336,-0.2 334,-0.2 -1,-0.1 -0.359 37.0-102.4 -67.9 155.9 46.0 -24.7 40.7 10 87 A a - 0 0 19 334,-2.2 2,-0.1 1,-0.1 -1,-0.1 -0.444 52.8 -91.1 -71.7 159.1 49.5 -26.0 41.0 11 88 A Q S S+ 0 0 135 -2,-0.1 362,-0.5 -3,-0.1 2,-0.3 -0.439 71.3 112.4 -81.2 149.7 49.5 -29.7 41.4 12 89 A G - 0 0 7 360,-0.1 362,-0.2 -2,-0.1 3,-0.1 -0.867 47.7-145.5 168.0 168.9 49.5 -31.3 44.8 13 90 A S S S+ 0 0 60 360,-2.3 2,-0.3 -2,-0.3 361,-0.2 0.183 75.9 49.0-141.1 10.7 47.2 -33.4 46.9 14 91 A T - 0 0 2 359,-0.9 358,-3.0 362,-0.1 2,-0.4 -0.990 65.7-129.1-152.8 158.9 47.9 -32.2 50.4 15 92 A F E -B 371 0A 0 -2,-0.3 2,-0.3 356,-0.3 356,-0.3 -0.840 25.9-171.5-106.5 144.7 48.4 -29.1 52.6 16 93 A Q E -B 370 0A 31 354,-2.4 354,-1.6 -2,-0.4 2,-0.5 -0.899 38.3 -81.8-133.1 163.5 51.4 -28.6 54.8 17 94 A K E +B 369 0A 77 -2,-0.3 352,-0.2 352,-0.2 3,-0.1 -0.529 52.8 167.8 -67.1 118.7 52.5 -26.1 57.5 18 95 A A E - 0 0 48 350,-3.0 2,-0.3 -2,-0.5 351,-0.2 0.906 50.2 -13.3 -98.8 -63.4 53.7 -23.1 55.6 19 96 A L E -B 368 0A 63 349,-1.0 349,-2.6 2,-0.0 2,-0.5 -1.000 44.6-155.0-149.8 141.7 54.2 -20.1 57.8 20 97 A L E -B 367 0A 56 -2,-0.3 2,-0.7 347,-0.2 347,-0.2 -0.985 4.4-165.9-117.9 129.8 53.3 -18.8 61.3 21 98 A I E +B 366 0A 4 345,-2.5 345,-2.0 -2,-0.5 3,-0.1 -0.893 16.4 168.3-113.6 94.7 53.1 -15.1 62.0 22 99 A S > + 0 0 10 -2,-0.7 3,-1.7 343,-0.2 343,-0.1 -0.733 5.3 175.8-110.1 82.4 53.0 -14.8 65.8 23 100 A P G > S+ 0 0 0 0, 0.0 3,-0.9 0, 0.0 -1,-0.1 0.748 73.4 63.3 -56.9 -28.5 53.6 -11.0 66.4 24 101 A H G > S+ 0 0 6 1,-0.3 3,-1.0 2,-0.2 362,-0.2 0.356 73.3 85.6 -86.3 7.6 53.1 -11.4 70.2 25 102 A R G < S+ 0 0 143 -3,-1.7 -1,-0.3 1,-0.2 3,-0.1 0.452 100.6 44.7 -78.7 -1.5 56.1 -13.6 70.7 26 103 A F G < S+ 0 0 92 -3,-0.9 7,-0.6 -4,-0.1 -1,-0.2 0.175 87.5 90.0-126.0 12.7 57.7 -10.1 70.8 27 104 A G < + 0 0 1 -3,-1.0 -2,-0.1 7,-0.1 -3,-0.1 0.285 52.3 137.9 -96.3 11.6 55.2 -8.3 73.1 28 105 A E - 0 0 63 1,-0.2 5,-0.3 -3,-0.1 361,-0.1 -0.165 64.6-125.0 -54.8 150.3 56.9 -9.0 76.4 29 106 A I S S+ 0 0 137 1,-0.2 -1,-0.2 3,-0.1 360,-0.0 0.792 117.6 51.6 -63.6 -28.3 57.0 -6.2 78.9 30 107 A K S S+ 0 0 197 2,-0.0 -1,-0.2 0, 0.0 -2,-0.1 0.787 98.0 80.7 -78.3 -32.7 60.8 -7.1 78.8 31 108 A G S S- 0 0 24 1,-0.1 -5,-0.1 2,-0.0 -4,-0.0 -0.019 76.2-131.3 -68.5 180.0 61.1 -7.0 75.1 32 109 A N + 0 0 168 -6,-0.0 2,-0.2 2,-0.0 -5,-0.1 -0.023 65.8 108.6-123.7 29.9 61.6 -3.9 72.9 33 110 A S - 0 0 54 -7,-0.6 -2,-0.0 -5,-0.3 27,-0.0 -0.607 54.1-148.3-109.2 168.9 59.0 -4.5 70.2 34 111 A A + 0 0 35 -2,-0.2 56,-1.6 26,-0.1 2,-0.2 -0.448 20.9 175.3-132.1 60.2 55.6 -3.0 69.2 35 112 A P B -E 89 0B 0 0, 0.0 26,-1.7 0, 0.0 54,-0.3 -0.472 35.3-115.2 -68.2 137.3 53.4 -5.6 67.6 36 113 A L E -F 60 0C 6 52,-2.6 2,-0.7 24,-0.2 24,-0.3 -0.417 19.2-116.1 -73.3 146.5 49.9 -4.2 66.9 37 114 A I E + 0 0 0 22,-3.3 20,-2.1 -2,-0.1 22,-0.4 -0.746 54.8 162.3 -81.3 116.6 46.8 -5.4 68.7 38 115 A I E -F 56 0C 0 -2,-0.7 2,-0.3 18,-0.2 18,-0.2 -0.822 26.2-176.9-134.2 173.7 44.8 -6.9 65.8 39 116 A R E +F 55 0C 14 16,-0.8 16,-2.1 -2,-0.3 325,-0.0 -0.951 63.2 41.1-163.1 161.9 41.9 -9.2 65.0 40 117 A E E S- 0 0 11 -2,-0.3 -1,-0.1 14,-0.2 62,-0.1 0.936 72.3-175.2 58.6 49.8 40.2 -10.6 61.8 41 118 A P E + 0 0 1 0, 0.0 2,-0.3 0, 0.0 13,-0.2 -0.394 7.6 170.4 -74.4 153.5 43.5 -11.1 59.8 42 119 A F E -F 53 0C 0 11,-1.9 11,-2.5 108,-0.1 2,-0.4 -0.977 25.1-131.8-157.5 156.7 43.4 -12.3 56.2 43 120 A V E +F 52 0C 1 -2,-0.3 108,-0.4 9,-0.2 2,-0.4 -0.945 20.4 178.6-117.8 137.2 45.9 -12.7 53.4 44 121 A A E -F 51 0C 3 7,-1.9 7,-3.2 -2,-0.4 2,-0.4 -0.985 13.7-150.3-133.4 142.9 45.4 -11.4 49.8 45 122 A b E -F 50 0C 21 -2,-0.4 61,-0.4 5,-0.3 5,-0.3 -0.941 8.1-162.7-122.7 139.0 47.9 -11.7 47.0 46 123 A G - 0 0 6 3,-3.5 293,-0.5 -2,-0.4 61,-0.0 -0.347 51.9 -84.9 -95.6-172.7 48.8 -9.7 43.9 47 124 A P S S+ 0 0 55 0, 0.0 3,-0.1 0, 0.0 62,-0.0 0.805 126.1 21.9 -65.1 -22.9 50.8 -11.1 41.0 48 125 A K S S+ 0 0 186 1,-0.3 2,-0.3 290,-0.0 290,-0.0 0.634 125.2 26.0-119.8 -20.4 54.0 -10.3 42.8 49 126 A E - 0 0 67 2,-0.0 -3,-3.5 34,-0.0 2,-0.3 -0.982 59.0-141.7-147.8 150.9 53.5 -9.9 46.5 50 127 A b E -F 45 0C 13 -2,-0.3 34,-1.9 -5,-0.3 2,-0.4 -0.806 21.4-147.7-108.7 155.9 51.1 -11.3 49.1 51 128 A R E -FG 44 83C 21 -7,-3.2 -7,-1.9 -2,-0.3 2,-0.9 -0.991 11.8-141.9-135.3 137.4 49.9 -9.1 52.0 52 129 A H E -FG 43 82C 5 30,-2.7 30,-1.4 -2,-0.4 -9,-0.2 -0.817 31.1-175.4 -94.0 100.2 48.9 -9.7 55.5 53 130 A F E +FG 42 81C 0 -11,-2.5 -11,-1.9 -2,-0.9 2,-0.3 -0.557 8.8 158.9 -93.4 162.6 45.9 -7.5 56.3 54 131 A A E - G 0 80C 5 26,-1.9 26,-2.9 -13,-0.2 2,-0.7 -0.984 43.0-104.8-171.9 167.8 44.1 -7.0 59.6 55 132 A L E -FG 39 79C 0 -16,-2.1 -16,-0.8 -2,-0.3 24,-0.2 -0.898 39.6-160.6-108.8 104.1 41.9 -4.7 61.7 56 133 A T E -FG 38 78C 0 22,-2.5 22,-1.7 -2,-0.7 -18,-0.2 -0.500 24.4-142.8 -85.7 150.8 44.0 -3.0 64.4 57 134 A H E - 0 0 14 -20,-2.1 20,-0.1 2,-0.3 -19,-0.1 0.148 53.4-108.2 -92.4 17.3 42.6 -1.4 67.6 58 135 A Y E S+ 0 0 120 -21,-0.3 2,-0.3 1,-0.2 -20,-0.1 0.911 87.3 106.2 57.4 43.6 45.3 1.3 67.0 59 136 A A E - 0 0 8 -22,-0.4 -22,-3.3 4,-0.0 -2,-0.3 -0.987 53.8-148.1-150.5 157.1 47.2 -0.1 70.0 60 137 A A E -F 36 0C 19 -2,-0.3 5,-0.4 -24,-0.3 -24,-0.2 -0.775 24.6 -93.2-126.0 168.6 50.3 -2.1 70.7 61 138 A Q S S+ 0 0 3 -26,-1.7 2,-0.1 -2,-0.3 -33,-0.1 -0.998 111.9 35.9-128.6 124.7 51.7 -4.6 73.3 62 139 A P S S+ 0 0 50 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 0.531 104.2 107.0 -73.2 151.1 53.2 -3.6 75.5 63 140 A G S S- 0 0 43 -2,-0.1 3,-0.1 -4,-0.1 -2,-0.1 -0.927 72.1-107.8-168.1-170.7 51.0 -0.5 75.8 64 141 A G S S+ 0 0 69 -2,-0.3 3,-0.2 1,-0.1 -3,-0.1 0.122 92.3 79.9-125.4 23.0 48.3 1.1 77.8 65 142 A Y + 0 0 181 -5,-0.4 -1,-0.1 1,-0.1 -4,-0.0 -0.251 46.2 119.3-123.8 45.3 45.2 0.8 75.6 66 143 A Y > + 0 0 53 -3,-0.1 3,-2.2 2,-0.1 294,-0.3 0.746 46.7 103.4 -78.9 -25.2 44.1 -2.8 76.1 67 144 A N T 3 S+ 0 0 150 1,-0.3 292,-0.1 -3,-0.2 294,-0.1 -0.412 93.0 11.6 -62.6 122.9 40.7 -1.7 77.4 68 145 A G T > S+ 0 0 22 290,-0.5 3,-0.8 -2,-0.2 -1,-0.3 0.420 88.7 118.2 90.5 -1.5 38.2 -2.2 74.7 69 146 A T T < S+ 0 0 3 -3,-2.2 -2,-0.1 1,-0.2 293,-0.1 0.425 71.8 59.2 -78.5 2.7 40.4 -4.3 72.4 70 147 A R T 3 S+ 0 0 66 -4,-0.2 -1,-0.2 288,-0.2 2,-0.2 0.598 90.1 81.3-102.2 -18.4 38.0 -7.2 72.7 71 148 A K S < S- 0 0 108 -3,-0.8 3,-0.0 1,-0.1 0, 0.0 -0.582 73.8-143.7 -83.4 155.0 35.1 -5.3 71.3 72 149 A D + 0 0 66 -2,-0.2 2,-0.5 1,-0.1 -1,-0.1 0.791 68.3 55.4 -95.0 -32.5 34.9 -5.1 67.5 73 150 A R + 0 0 89 3,-0.0 2,-0.3 44,-0.0 -1,-0.1 -0.904 60.8 117.1-115.2 132.5 33.6 -1.7 66.4 74 151 A N - 0 0 38 -2,-0.5 3,-0.2 -3,-0.0 44,-0.2 -0.981 67.6 -90.3-170.2 177.6 34.8 1.7 67.3 75 152 A K S S+ 0 0 202 -2,-0.3 -2,-0.0 1,-0.2 23,-0.0 0.478 115.1 55.9 -82.8 0.3 36.3 5.0 66.0 76 153 A L S S+ 0 0 106 22,-0.0 -1,-0.2 2,-0.0 -20,-0.1 0.741 78.6 110.3-101.6 -27.4 39.9 3.9 66.4 77 154 A R - 0 0 3 -3,-0.2 22,-1.1 -20,-0.1 2,-0.3 -0.105 43.7-176.9 -54.5 141.7 39.9 0.7 64.3 78 155 A H E -GH 56 98C 37 -22,-1.7 -22,-2.5 20,-0.3 2,-0.5 -0.994 31.5-119.8-143.2 148.0 41.8 0.6 61.1 79 156 A L E +GH 55 97C 0 18,-2.3 17,-2.5 -2,-0.3 18,-0.9 -0.760 46.2 173.7 -83.0 123.9 42.5 -1.7 58.2 80 157 A V E -GH 54 95C 3 -26,-2.9 -26,-1.9 -2,-0.5 2,-0.3 -0.806 11.7-169.1-127.5 170.9 46.3 -2.2 58.1 81 158 A S E -GH 53 94C 1 13,-1.2 13,-1.5 -2,-0.3 2,-0.3 -0.997 12.7-172.4-161.9 156.3 48.8 -4.4 56.2 82 159 A V E -G 52 0C 4 -30,-1.4 -30,-2.7 -2,-0.3 2,-0.2 -0.923 47.3 -85.3-139.4 161.7 52.3 -5.7 55.9 83 160 A K E > -G 51 0C 91 -2,-0.3 3,-2.5 -32,-0.2 2,-0.3 -0.503 61.5 -95.8 -63.9 139.9 54.1 -7.7 53.3 84 161 A L T 3 S+ 0 0 28 -34,-1.9 -34,-0.2 1,-0.3 -1,-0.1 -0.472 117.4 37.4 -63.8 122.2 53.4 -11.4 54.1 85 162 A G T 3 S+ 0 0 44 1,-0.6 -1,-0.3 -2,-0.3 2,-0.2 -0.032 95.1 105.2 122.0 -26.0 56.4 -12.5 56.1 86 163 A K S < S- 0 0 102 -3,-2.5 -1,-0.6 1,-0.0 -4,-0.1 -0.583 76.2-116.3 -85.8 147.0 56.8 -9.2 58.0 87 164 A I - 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