==== 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 15-FEB-99 1B9V . COMPND 2 MOLECULE: PROTEIN (NEURAMINIDASE); . SOURCE 2 ORGANISM_SCIENTIFIC: INFLUENZA B VIRUS (B/LEE/40); . AUTHOR J.B.FINLEY,V.R.ATIGADDA,F.DUARTE,J.J.ZAHAO,W.J.BROUILLETTE,G . 390 1 8 8 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15627.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 221 56.7 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 . 133 34.1 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 . 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 . 33 8.5 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 . 4 1.0 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 . 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 0 3 3 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 0 197 0, 0.0 2,-0.6 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 87.8 48.9 -1.7 31.4 2 78 A P - 0 0 88 0, 0.0 0, 0.0 0, 0.0 0, 0.0 -0.417 360.0-104.6 -60.1 106.8 49.9 -4.8 33.5 3 79 A E - 0 0 157 -2,-0.6 2,-0.1 1,-0.1 155,-0.1 0.265 40.1 -91.9 -31.0 152.4 47.3 -7.3 32.3 4 80 A W - 0 0 37 1,-0.1 105,-0.2 153,-0.1 2,-0.2 -0.351 41.3-103.0 -72.5 151.5 44.3 -8.1 34.6 5 81 A T - 0 0 26 103,-2.2 152,-2.1 -2,-0.1 153,-0.5 -0.474 39.8-178.8 -75.1 144.0 44.4 -11.0 37.0 6 82 A Y - 0 0 112 150,-0.2 2,-0.1 -2,-0.2 150,-0.1 -0.988 35.8 -97.8-141.8 145.5 42.5 -14.2 36.1 7 83 A P - 0 0 20 0, 0.0 2,-0.2 0, 0.0 201,-0.1 -0.440 46.6-168.5 -67.3 138.7 42.0 -17.5 37.9 8 84 A R - 0 0 75 -2,-0.1 2,-0.3 1,-0.1 272,-0.2 -0.472 32.8 -72.5-113.6-172.3 44.5 -20.1 36.7 9 85 A L - 0 0 97 334,-0.3 336,-2.3 -2,-0.2 272,-0.2 -0.651 56.7-109.6 -82.0 140.7 44.9 -23.8 37.2 10 86 A S B -a 345 0A 15 270,-1.8 336,-0.2 -2,-0.3 2,-0.2 -0.252 39.8 -97.0 -64.3 159.8 46.1 -24.7 40.7 11 87 A a - 0 0 18 334,-2.6 -1,-0.1 1,-0.1 333,-0.0 -0.523 51.2 -84.7 -79.5 149.7 49.7 -26.0 41.0 12 88 A Q S S+ 0 0 173 -2,-0.2 362,-0.5 -3,-0.1 2,-0.3 -0.208 78.0 110.0 -53.5 137.8 50.2 -29.8 41.1 13 89 A G - 0 0 13 360,-0.1 362,-0.2 -3,-0.1 3,-0.1 -0.901 48.4-150.8 167.0 167.8 49.8 -31.2 44.6 14 90 A S S S+ 0 0 60 360,-3.0 2,-0.3 -2,-0.3 361,-0.2 0.229 70.6 34.0-148.7 18.1 47.6 -33.3 46.8 15 91 A T - 0 0 2 359,-0.6 358,-2.1 360,-0.1 2,-0.3 -0.985 67.3-112.9-168.2 161.9 47.9 -32.2 50.4 16 92 A F E -B 372 0A 0 -2,-0.3 2,-0.3 305,-0.2 356,-0.2 -0.765 27.5-173.7-103.9 148.4 48.5 -29.3 52.7 17 93 A Q E -B 371 0A 34 354,-2.1 354,-1.6 -2,-0.3 2,-0.1 -0.981 39.3 -85.5-141.0 151.8 51.5 -28.7 55.0 18 94 A K E +B 370 0A 74 -2,-0.3 352,-0.2 362,-0.2 3,-0.1 -0.350 53.0 166.5 -54.2 121.4 52.5 -26.2 57.7 19 95 A A E - 0 0 47 350,-3.4 2,-0.3 1,-0.3 351,-0.2 0.832 48.9 -11.3-104.6 -70.7 53.9 -23.2 55.8 20 96 A L E - 0 0 75 349,-0.5 349,-2.6 2,-0.0 2,-0.4 -0.979 46.8-158.7-140.4 149.5 54.3 -20.0 57.8 21 97 A L E -B 368 0A 59 -2,-0.3 2,-0.8 347,-0.2 347,-0.2 -0.989 2.6-163.5-133.0 125.9 53.4 -18.6 61.2 22 98 A I E +B 367 0A 5 345,-2.6 345,-1.7 -2,-0.4 3,-0.1 -0.889 17.3 167.8-107.7 97.9 53.2 -15.0 62.1 23 99 A S > + 0 0 10 -2,-0.8 3,-1.9 343,-0.2 4,-0.1 -0.692 2.3 172.6-112.2 77.0 53.2 -14.8 65.9 24 100 A P G > S+ 0 0 5 0, 0.0 3,-1.3 0, 0.0 -1,-0.2 0.773 72.4 63.9 -56.3 -29.2 53.8 -11.1 66.6 25 101 A H G 3 S+ 0 0 8 1,-0.3 3,-0.5 2,-0.2 362,-0.2 0.367 76.9 83.2 -82.1 9.5 53.2 -11.4 70.3 26 102 A R G < S+ 0 0 138 -3,-1.9 -1,-0.3 1,-0.2 3,-0.1 0.520 100.8 42.9 -81.4 -5.4 56.2 -13.7 70.7 27 103 A F S < S+ 0 0 99 -3,-1.3 7,-0.6 -4,-0.1 -1,-0.2 0.272 89.3 87.4-121.6 6.1 57.9 -10.3 70.8 28 104 A G + 0 0 0 -3,-0.5 -1,-0.1 7,-0.1 -2,-0.1 0.105 52.5 145.7 -97.6 24.8 55.6 -8.2 73.0 29 105 A E > - 0 0 59 1,-0.2 3,-1.3 -3,-0.1 5,-0.3 -0.230 59.7-124.2 -59.2 152.2 57.0 -9.1 76.4 30 106 A I T 3 S+ 0 0 127 1,-0.3 -1,-0.2 3,-0.1 360,-0.0 0.757 117.6 48.2 -66.2 -24.1 57.0 -6.3 79.0 31 107 A K T 3 S+ 0 0 184 2,-0.0 -1,-0.3 0, 0.0 2,-0.1 0.354 100.2 84.3 -98.0 3.5 60.7 -6.9 79.1 32 108 A G S < S- 0 0 24 -3,-1.3 -4,-0.1 2,-0.1 -5,-0.1 -0.317 75.5-129.9 -95.2-175.7 61.2 -6.9 75.3 33 109 A N + 0 0 171 -2,-0.1 2,-0.2 -6,-0.1 -5,-0.1 -0.016 67.4 105.7-126.3 29.3 61.8 -3.9 73.0 34 110 A S - 0 0 58 -7,-0.6 -2,-0.1 -5,-0.3 56,-0.0 -0.698 54.0-150.0-109.8 163.0 59.2 -4.5 70.3 35 111 A A + 0 0 42 -2,-0.2 56,-2.2 26,-0.1 2,-0.3 -0.552 19.6 179.6-131.8 69.7 55.8 -3.0 69.5 36 112 A P B -E 90 0B 0 0, 0.0 26,-1.9 0, 0.0 54,-0.3 -0.558 32.8-114.2 -74.1 128.3 53.5 -5.5 67.8 37 113 A L B -F 61 0C 5 52,-1.5 2,-0.6 -2,-0.3 24,-0.3 -0.254 20.0-121.6 -63.1 147.3 50.1 -4.1 66.9 38 114 A I + 0 0 0 22,-2.6 20,-2.6 326,-0.1 22,-0.4 -0.823 53.0 151.0 -90.1 118.3 47.0 -5.4 68.7 39 115 A I - 0 0 12 -2,-0.6 2,-0.3 18,-0.3 18,-0.2 -0.713 29.6-168.3-138.1-172.1 44.7 -6.8 66.0 40 116 A R + 0 0 19 16,-0.3 16,-2.5 -2,-0.2 325,-0.0 -0.947 63.8 45.8-171.4 165.7 42.0 -9.2 64.9 41 117 A E S S+ 0 0 14 -2,-0.3 2,-0.1 14,-0.2 -1,-0.1 0.955 72.6 179.3 54.3 56.4 40.3 -10.5 61.8 42 118 A P + 0 0 2 0, 0.0 2,-0.3 0, 0.0 13,-0.3 -0.442 6.7 160.6 -84.4 161.4 43.5 -11.0 59.8 43 119 A F E -G 54 0D 0 11,-2.3 11,-2.9 -2,-0.1 2,-0.4 -0.978 29.0-120.9-170.8 166.3 43.7 -12.3 56.3 44 120 A V E +G 53 0D 0 -2,-0.3 108,-0.5 9,-0.2 2,-0.3 -0.938 18.8 178.7-124.9 145.6 45.9 -12.5 53.3 45 121 A A E -G 52 0D 3 7,-1.8 7,-2.9 -2,-0.4 2,-0.4 -0.989 15.8-151.1-139.2 142.0 45.5 -11.4 49.7 46 122 A b E -G 51 0D 21 -2,-0.3 61,-0.4 292,-0.3 5,-0.3 -0.919 8.0-165.1-123.1 147.6 48.1 -11.8 46.9 47 123 A G - 0 0 7 3,-3.3 293,-0.4 -2,-0.4 61,-0.0 -0.424 49.8 -83.6-109.5-172.9 49.0 -10.0 43.8 48 124 A P S S+ 0 0 61 0, 0.0 3,-0.1 0, 0.0 62,-0.0 0.858 127.7 25.0 -64.3 -30.2 51.1 -11.1 40.9 49 125 A K S S+ 0 0 189 1,-0.2 2,-0.3 0, 0.0 -3,-0.0 0.587 125.6 16.7-111.6 -11.7 54.3 -10.1 42.7 50 126 A E - 0 0 58 2,-0.0 -3,-3.3 34,-0.0 2,-0.4 -0.997 54.8-133.3-162.0 154.5 53.5 -10.1 46.5 51 127 A b E -G 46 0D 16 -2,-0.3 34,-2.9 -5,-0.3 2,-0.4 -0.920 24.1-155.8-110.1 136.5 51.2 -11.3 49.2 52 128 A R E -GH 45 84D 31 -7,-2.9 -7,-1.8 -2,-0.4 2,-0.7 -0.905 10.0-139.4-115.5 144.8 50.1 -8.9 51.9 53 129 A H E -GH 44 83D 9 30,-3.4 30,-1.6 -2,-0.4 -9,-0.2 -0.892 26.7-171.1-105.3 109.2 48.9 -9.7 55.4 54 130 A F E +GH 43 82D 0 -11,-2.9 -11,-2.3 -2,-0.7 2,-0.3 -0.598 12.8 154.2-100.0 161.4 45.9 -7.5 56.4 55 131 A A E - H 0 81D 9 26,-1.5 26,-2.0 -13,-0.3 2,-0.7 -0.968 44.5-103.8-171.1 171.8 44.1 -7.1 59.8 56 132 A L E - H 0 80D 1 -16,-2.5 -16,-0.3 -2,-0.3 24,-0.2 -0.888 38.8-159.6-113.1 98.7 42.0 -4.7 61.9 57 133 A T E - H 0 79D 0 22,-2.1 22,-1.7 -2,-0.7 -18,-0.3 -0.432 22.6-139.5 -79.3 152.6 44.2 -3.1 64.6 58 134 A H - 0 0 15 -20,-2.6 20,-0.1 2,-0.3 -19,-0.1 0.108 50.5-109.7 -93.7 21.3 42.7 -1.5 67.7 59 135 A Y S S+ 0 0 117 -21,-0.3 2,-0.3 1,-0.2 -20,-0.1 0.786 88.9 98.2 56.4 31.9 45.3 1.2 67.1 60 136 A A - 0 0 9 -22,-0.4 -22,-2.6 4,-0.0 2,-0.3 -0.886 57.0-146.9-139.0 168.6 47.3 0.0 70.2 61 137 A A B -F 37 0C 18 -2,-0.3 5,-0.3 -24,-0.3 -24,-0.2 -0.874 26.2 -79.6-137.4 169.7 50.3 -2.2 70.8 62 138 A Q S S+ 0 0 6 -26,-1.9 2,-0.1 -2,-0.3 -33,-0.1 -0.974 114.7 29.7-119.7 125.8 51.8 -4.6 73.3 63 139 A P S S+ 0 0 55 0, 0.0 -1,-0.3 0, 0.0 2,-0.2 0.492 102.3 120.1 -80.2 144.5 53.1 -3.6 75.7 64 140 A G - 0 0 44 -2,-0.1 3,-0.1 -4,-0.1 -2,-0.1 -0.767 67.5-113.8-149.2-166.3 50.9 -0.6 75.9 65 141 A G S S+ 0 0 72 -2,-0.2 3,-0.2 1,-0.1 -3,-0.1 0.288 96.5 74.1-122.9 6.8 48.4 1.3 78.0 66 142 A Y + 0 0 188 -5,-0.3 -1,-0.1 1,-0.1 4,-0.1 -0.281 51.1 121.6-115.3 45.5 45.3 1.0 75.8 67 143 A Y > + 0 0 46 -3,-0.1 3,-2.3 2,-0.1 4,-0.3 0.874 49.8 92.1 -75.0 -37.6 44.4 -2.7 76.3 68 144 A N T 3 S+ 0 0 153 1,-0.3 292,-0.1 -3,-0.2 294,-0.1 -0.398 93.1 24.9 -59.3 123.3 40.9 -1.9 77.6 69 145 A G T > S+ 0 0 36 290,-0.3 3,-0.9 -2,-0.2 -1,-0.3 0.180 85.1 108.3 107.0 -17.6 38.6 -1.9 74.6 70 146 A T T < S+ 0 0 5 -3,-2.3 -2,-0.1 1,-0.2 -3,-0.1 0.627 77.1 61.4 -66.8 -11.1 40.7 -4.3 72.5 71 147 A R T 3 S+ 0 0 81 -4,-0.3 -1,-0.2 288,-0.1 -3,-0.1 0.785 86.9 84.6 -84.4 -31.6 37.9 -6.8 73.2 72 148 A K S < S- 0 0 98 -3,-0.9 3,-0.1 1,-0.1 0, 0.0 -0.339 70.8-146.3 -68.4 154.9 35.2 -4.7 71.5 73 149 A D S S+ 0 0 70 1,-0.2 2,-0.4 5,-0.0 -1,-0.1 0.582 73.7 46.9-101.3 -12.0 34.8 -5.1 67.7 74 150 A R + 0 0 57 44,-0.0 2,-0.3 3,-0.0 -1,-0.2 -0.993 60.6 118.2-139.4 137.8 33.8 -1.7 66.7 75 151 A N - 0 0 53 -2,-0.4 3,-0.3 -3,-0.1 44,-0.1 -0.959 67.7 -88.4-176.8 171.8 34.9 1.9 67.5 76 152 A K S S+ 0 0 202 -2,-0.3 23,-0.0 1,-0.2 42,-0.0 0.349 117.0 56.6 -79.0 7.6 36.3 5.1 65.9 77 153 A L S S+ 0 0 107 22,-0.0 -1,-0.2 2,-0.0 -20,-0.1 0.738 74.2 108.1-107.3 -33.7 39.9 3.9 66.4 78 154 A R - 0 0 2 -3,-0.3 22,-1.9 -20,-0.1 2,-0.3 -0.146 48.0-174.4 -50.8 138.4 40.0 0.6 64.6 79 155 A H E -HI 57 99D 38 -22,-1.7 -22,-2.1 20,-0.3 2,-0.6 -0.975 29.3-118.9-139.4 151.9 42.0 0.7 61.3 80 156 A L E +HI 56 98D 0 18,-2.8 17,-3.1 -2,-0.3 18,-1.0 -0.802 43.9 168.4 -89.8 123.2 42.8 -1.6 58.4 81 157 A V E -HI 55 96D 5 -26,-2.0 -26,-1.5 -2,-0.6 2,-0.3 -0.800 10.8-174.4-128.8 170.6 46.6 -2.2 58.2 82 158 A S E -HI 54 95D 2 13,-1.1 13,-1.2 -2,-0.3 2,-0.3 -0.974 9.1-169.7-167.5 153.6 48.8 -4.5 56.3 83 159 A V E -H 53 0D 2 -30,-1.6 -30,-3.4 -2,-0.3 2,-0.1 -0.918 45.9 -78.5-140.8 163.6 52.4 -5.7 55.8 84 160 A K E > -H 52 0D 99 -2,-0.3 3,-2.5 -32,-0.2 2,-0.3 -0.453 62.0 -99.7 -63.3 136.0 54.3 -7.8 53.3 85 161 A L T 3 S+ 0 0 31 -34,-2.9 -34,-0.2 1,-0.3 -1,-0.1 -0.459 115.0 40.1 -61.2 118.7 53.5 -11.4 54.2 86 162 A G T 3 S+ 0 0 48 1,-0.5 2,-0.4 -2,-0.3 -1,-0.3 0.092 92.8 100.9 126.9 -19.5 56.6 -12.5 56.2 87 163 A K S < S- 0 0 110 -3,-2.5 -1,-0.5 6,-0.0 -4,-0.1 -0.781 80.0-112.9 -98.3 140.0 57.1 -9.3 58.1 88 164 A I - 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