==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-NOV-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE(O-GLYCOSYL) 08-AUG-91 1NSB . COMPND 2 MOLECULE: NEURAMINIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: INFLUENZA B VIRUS (STRAIN B/BEIJING/1/ . AUTHOR W.P.BURMEISTER,R.W.H.RUIGROK,S.CUSACK . 780 2 16 16 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 27050.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 454 58.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 16 2.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 277 35.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 5 0.6 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 . 61 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 38 4.9 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 . 5 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 . 2 2 2 2 10 14 4 1 3 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 6 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 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 0 180 0, 0.0 109,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-179.4 -1.9 18.3 -5.1 2 77 A P - 0 0 76 0, 0.0 2,-0.1 0, 0.0 108,-0.1 -0.121 360.0-110.9 -62.8 150.0 -2.6 21.3 -2.7 3 78 A E - 0 0 144 106,-0.1 2,-0.3 1,-0.1 0, 0.0 -0.399 33.5-103.3 -74.8 154.6 -6.2 22.2 -2.0 4 79 A W - 0 0 35 -2,-0.1 105,-0.3 105,-0.1 2,-0.2 -0.642 42.4-111.6 -72.0 139.5 -7.6 25.4 -3.4 5 80 A T - 0 0 18 103,-1.9 152,-2.1 -2,-0.3 153,-0.4 -0.467 34.1-176.4 -73.3 142.5 -7.9 28.0 -0.8 6 81 A Y - 0 0 110 150,-0.2 2,-0.3 -2,-0.2 150,-0.1 -0.933 38.6 -94.3-128.8 154.1 -11.4 29.2 0.5 7 82 A P - 0 0 15 0, 0.0 2,-0.2 0, 0.0 201,-0.1 -0.588 46.3-165.1 -65.3 131.6 -12.0 32.1 3.1 8 83 A R - 0 0 79 -2,-0.3 2,-0.2 1,-0.1 272,-0.2 -0.439 32.8 -74.8-106.1-179.4 -12.3 30.7 6.6 9 84 A L - 0 0 96 334,-0.2 336,-1.8 -2,-0.2 272,-0.2 -0.589 58.2-104.6 -71.3 144.0 -13.7 32.2 9.8 10 85 A S B -a 345 0A 14 270,-1.9 336,-0.2 334,-0.2 -1,-0.1 -0.282 37.3 -97.3 -65.7 156.4 -11.4 34.8 11.4 11 86 A a - 0 0 19 334,-2.2 -1,-0.1 1,-0.1 2,-0.1 -0.331 53.8 -85.7 -70.5 157.1 -9.3 33.9 14.5 12 87 A Q S S+ 0 0 175 -3,-0.1 362,-0.5 334,-0.0 2,-0.3 -0.422 76.0 113.1 -65.6 140.5 -10.8 35.1 17.7 13 88 A G - 0 0 17 360,-0.1 362,-0.2 -2,-0.1 3,-0.1 -0.894 43.8-156.4 170.9 167.8 -10.0 38.7 18.7 14 89 A S S S+ 0 0 63 360,-3.0 2,-0.3 -2,-0.3 361,-0.2 0.309 72.6 44.4-148.7 4.7 -11.6 42.0 19.1 15 90 A T S S- 0 0 6 359,-1.4 358,-3.2 362,-0.1 2,-0.3 -0.989 70.4-123.7-144.4 159.8 -9.0 44.7 18.7 16 91 A F E -B 372 0A 0 -2,-0.3 2,-0.3 305,-0.3 356,-0.3 -0.719 27.7-169.1 -94.8 153.2 -6.1 45.4 16.3 17 92 A Q E -B 371 0A 30 354,-2.5 354,-1.7 -2,-0.3 2,-0.3 -0.946 34.8 -85.3-134.6 162.8 -2.5 45.9 17.6 18 93 A K E +B 370 0A 76 -2,-0.3 352,-0.2 352,-0.2 3,-0.1 -0.514 49.2 168.6 -66.1 125.7 0.8 47.1 16.1 19 94 A A E - 0 0 50 350,-2.7 2,-0.3 1,-0.3 351,-0.2 0.843 50.0 -17.1-107.1 -51.7 2.4 44.2 14.4 20 95 A L E -B 369 0A 68 349,-1.3 349,-2.3 2,-0.0 2,-0.4 -0.998 41.8-149.5-162.7 145.0 5.4 45.2 12.2 21 96 A L E -B 368 0A 52 -2,-0.3 2,-0.7 347,-0.2 347,-0.2 -0.985 6.5-164.2-120.7 127.0 7.0 48.1 10.5 22 97 A I E +B 367 0A 5 345,-3.2 345,-2.6 -2,-0.4 65,-0.0 -0.958 20.4 166.4-106.7 111.8 9.0 47.6 7.2 23 98 A S > + 0 0 8 -2,-0.7 3,-1.9 343,-0.2 4,-0.1 -0.681 8.3 174.3-129.1 79.6 10.9 50.8 7.0 24 99 A P G > S+ 0 0 3 0, 0.0 3,-1.6 0, 0.0 -1,-0.1 0.765 72.1 65.1 -67.6 -27.3 13.6 50.2 4.3 25 100 A H G > S+ 0 0 6 1,-0.3 3,-1.2 2,-0.2 362,-0.2 0.573 75.8 84.8 -84.4 3.1 14.9 53.8 4.2 26 101 A R G < S+ 0 0 139 -3,-1.9 -1,-0.3 1,-0.2 3,-0.1 0.596 100.9 41.4 -68.0 -11.0 16.1 53.5 7.8 27 102 A F G < S+ 0 0 100 -3,-1.6 7,-0.6 -4,-0.1 -1,-0.2 0.253 89.9 91.0-118.6 14.8 19.1 52.0 5.8 28 103 A G < + 0 0 1 -3,-1.2 -2,-0.1 7,-0.1 -1,-0.1 0.243 49.8 136.6 -96.7 12.0 19.3 54.4 2.9 29 104 A E > - 0 0 60 1,-0.1 3,-1.5 -3,-0.1 5,-0.3 -0.229 62.8-125.4 -62.2 146.8 21.8 56.9 4.4 30 105 A A T 3 S+ 0 0 71 1,-0.3 -1,-0.1 3,-0.1 360,-0.0 0.778 113.7 50.8 -66.1 -22.4 24.5 58.0 2.0 31 106 A R T 3 S+ 0 0 233 2,-0.0 -1,-0.3 0, 0.0 2,-0.1 0.462 98.9 85.3 -89.9 -4.0 27.1 56.9 4.6 32 107 A G S < S- 0 0 18 -3,-1.5 -5,-0.1 2,-0.1 -4,-0.1 -0.279 78.4-128.0 -83.6-170.4 25.4 53.5 5.0 33 108 A N + 0 0 137 -2,-0.1 2,-0.2 -6,-0.1 -5,-0.1 -0.001 67.4 99.4-127.7 22.8 26.0 50.4 2.9 34 109 A S - 0 0 46 -7,-0.6 390,-0.1 -5,-0.3 391,-0.1 -0.662 55.6-144.9-120.6 169.6 22.5 49.3 1.8 35 110 A A + 0 0 10 -2,-0.2 56,-1.7 389,-0.1 2,-0.1 -0.567 18.8 178.9-132.9 64.2 20.3 49.5 -1.2 36 111 A P B -E 90 0B 0 0, 0.0 26,-2.0 0, 0.0 54,-0.3 -0.514 35.0-116.6 -64.8 142.6 16.6 49.8 -0.3 37 112 A L E -F 61 0C 2 52,-2.4 2,-0.5 24,-0.2 24,-0.3 -0.471 18.6-116.3 -80.1 149.0 14.5 50.2 -3.5 38 113 A I E + 0 0 0 22,-2.8 20,-2.0 -2,-0.1 21,-0.4 -0.780 54.5 158.2 -84.8 126.3 12.5 53.3 -4.2 39 114 A I E -F 57 0C 2 -2,-0.5 2,-0.3 18,-0.3 18,-0.2 -0.900 27.2-172.9-143.3 162.3 8.9 52.1 -4.3 40 115 A R E +F 56 0C 13 16,-1.3 16,-2.4 -2,-0.3 325,-0.1 -0.890 65.2 42.4-148.5 177.4 5.2 53.2 -3.9 41 116 A E E S- 0 0 9 -2,-0.3 -1,-0.1 14,-0.2 2,-0.1 0.897 71.0-176.5 44.7 58.3 1.9 51.4 -3.7 42 117 A P E + 0 0 2 0, 0.0 2,-0.3 0, 0.0 13,-0.2 -0.444 7.6 166.4 -67.0 151.4 2.9 48.5 -1.4 43 118 A F E -F 54 0C 0 11,-2.0 11,-2.5 -2,-0.1 2,-0.3 -0.947 23.6-136.9-157.2 168.8 0.5 45.8 -0.5 44 119 A I E +F 53 0C 0 -2,-0.3 108,-0.5 9,-0.2 2,-0.3 -0.953 16.6 178.3-131.7 147.8 0.7 42.3 1.0 45 120 A A E -F 52 0C 4 7,-1.7 7,-2.6 -2,-0.3 2,-0.3 -0.984 13.4-153.0-146.7 144.1 -1.0 39.0 0.1 46 121 A b E -F 51 0C 21 292,-0.3 61,-0.5 -2,-0.3 5,-0.3 -0.879 8.4-164.5-122.8 148.5 -0.5 35.6 1.7 47 122 A G - 0 0 6 3,-2.9 293,-0.5 -2,-0.3 3,-0.2 -0.511 56.7 -71.9-107.4-169.3 -0.8 32.1 0.6 48 123 A P S S+ 0 0 50 0, 0.0 3,-0.1 0, 0.0 -2,-0.0 0.823 128.0 19.2 -57.5 -33.1 -1.1 29.2 3.1 49 124 A K S S+ 0 0 187 1,-0.2 2,-0.3 290,-0.0 290,-0.0 0.498 124.2 23.7-116.4 -10.0 2.5 29.3 4.3 50 125 A E - 0 0 68 -3,-0.2 -3,-2.9 2,-0.0 2,-0.4 -0.996 55.3-140.0-159.5 152.0 4.0 32.7 3.5 51 126 A b E -F 46 0C 14 -2,-0.3 34,-2.5 -5,-0.3 2,-0.4 -0.878 16.4-150.1-112.8 148.7 3.1 36.3 2.8 52 127 A K E -FG 45 84C 30 -7,-2.6 -7,-1.7 -2,-0.4 2,-0.6 -0.927 8.8-141.1-117.1 148.5 4.8 38.4 0.1 53 128 A H E -FG 44 83C 4 30,-3.2 30,-1.4 -2,-0.4 -9,-0.2 -0.947 26.9-168.0-108.3 113.2 5.2 42.1 0.4 54 129 A F E +FG 43 82C 1 -11,-2.5 -11,-2.0 -2,-0.6 2,-0.3 -0.635 13.3 161.4-102.0 154.3 4.7 43.7 -3.1 55 130 A A E - G 0 81C 2 26,-1.5 26,-2.5 -13,-0.2 2,-0.7 -0.973 41.3-111.0-159.4 170.5 5.4 47.1 -4.4 56 131 A L E -FG 40 80C 0 -16,-2.4 -16,-1.3 -2,-0.3 24,-0.2 -0.913 40.0-160.3-104.9 108.2 5.9 49.1 -7.6 57 132 A T E -FG 39 79C 0 22,-2.4 22,-1.3 -2,-0.7 -18,-0.3 -0.583 25.7-140.0 -89.4 154.9 9.5 50.2 -7.8 58 133 A H E - 0 0 10 -20,-2.0 -19,-0.1 2,-0.3 20,-0.1 0.230 52.0-111.0 -89.8 13.3 11.0 53.0 -9.9 59 134 A Y E S+ 0 0 0 -21,-0.4 2,-0.3 1,-0.2 -20,-0.1 0.931 86.4 104.8 60.4 46.3 14.0 50.6 -10.5 60 135 A A E - 0 0 0 -22,-0.4 -22,-2.8 358,-0.1 -2,-0.3 -0.962 56.6-145.6-154.1 153.7 16.3 52.9 -8.4 61 136 A A E -F 37 0C 5 356,-0.4 5,-0.4 -2,-0.3 -24,-0.2 -0.772 27.2 -92.0-124.0 164.8 17.8 52.6 -4.9 62 137 A Q S S+ 0 0 5 -26,-2.0 2,-0.1 -2,-0.2 -33,-0.1 -0.992 111.0 38.9-118.6 128.6 18.7 55.1 -2.2 63 138 A P S S+ 0 0 8 0, 0.0 361,-0.4 0, 0.0 2,-0.3 0.589 103.2 100.3 -67.5 146.3 21.6 56.2 -2.1 64 139 A G S S- 0 0 0 359,-0.2 3,-0.2 -2,-0.1 354,-0.1 -0.979 75.5-102.0-172.8-169.4 21.7 56.5 -5.9 65 140 A G S S+ 0 0 24 -2,-0.3 3,-0.3 352,-0.2 -3,-0.1 0.294 93.3 79.3-115.3 11.4 21.5 58.8 -8.9 66 141 A Y + 0 0 24 -5,-0.4 -1,-0.2 1,-0.2 -4,-0.0 -0.098 50.7 118.0-115.7 40.0 18.0 58.1 -10.3 67 142 A Y > + 0 0 40 -3,-0.2 3,-2.2 2,-0.1 2,-0.2 0.787 46.1 98.6 -73.9 -27.4 15.8 60.1 -8.0 68 143 A N T 3 S+ 0 0 149 -3,-0.3 292,-0.1 1,-0.3 294,-0.1 -0.433 91.8 17.9 -67.9 124.4 14.4 62.4 -10.6 69 144 A G T > S+ 0 0 30 290,-0.4 3,-1.1 -2,-0.2 -1,-0.3 0.323 85.9 119.5 99.8 -4.1 11.0 61.3 -11.8 70 145 A T T < S+ 0 0 5 -3,-2.2 -2,-0.1 1,-0.2 292,-0.1 0.584 70.8 58.7 -77.6 2.6 10.4 59.0 -8.7 71 146 A R T 3 S+ 0 0 105 -4,-0.2 -1,-0.2 288,-0.1 2,-0.1 0.710 88.3 91.5 -95.5 -19.0 7.3 61.0 -7.8 72 147 A E < - 0 0 125 -3,-1.1 3,-0.1 1,-0.1 0, 0.0 -0.333 69.4-143.4 -72.8 151.8 5.6 60.3 -11.1 73 148 A D S S+ 0 0 75 1,-0.1 2,-0.4 -2,-0.1 -1,-0.1 0.881 72.1 39.2 -86.4 -40.1 3.4 57.3 -11.4 74 149 A R + 0 0 72 3,-0.0 2,-0.3 2,-0.0 -1,-0.1 -0.924 62.9 126.4-126.8 131.3 3.8 55.8 -14.9 75 150 A N - 0 0 38 -2,-0.4 3,-0.4 -3,-0.1 44,-0.1 -0.923 65.9 -88.3-165.9 178.5 6.8 55.4 -17.0 76 151 A K S S+ 0 0 61 -2,-0.3 698,-0.3 1,-0.2 -2,-0.0 0.420 115.1 54.0 -78.1 -10.4 8.7 52.6 -18.8 77 152 A L S S+ 0 0 20 696,-0.1 -1,-0.2 22,-0.1 335,-0.1 0.661 74.1 114.5-102.6 -17.9 10.9 51.4 -15.9 78 153 A R - 0 0 4 -3,-0.4 22,-2.1 -20,-0.1 2,-0.3 -0.258 42.3-178.2 -61.4 140.2 8.4 50.7 -13.1 79 154 A H E -GH 57 99C 0 -22,-1.3 -22,-2.4 20,-0.3 2,-0.6 -0.966 32.3-117.1-138.2 151.6 8.1 47.1 -12.1 80 155 A L E +GH 56 98C 0 18,-2.3 17,-2.6 -2,-0.3 18,-0.8 -0.783 43.3 174.8 -84.8 122.8 6.2 44.9 -9.7 81 156 A I E -GH 55 96C 1 -26,-2.5 -26,-1.5 -2,-0.6 2,-0.3 -0.848 10.6-169.3-120.6 164.5 8.6 43.5 -7.2 82 157 A S E -GH 54 95C 1 13,-1.7 13,-1.8 -2,-0.3 2,-0.3 -0.986 9.5-172.6-145.9 161.4 8.1 41.3 -4.0 83 158 A V E -G 53 0C 8 -30,-1.4 -30,-3.2 -2,-0.3 2,-0.2 -0.916 47.5 -87.2-135.4 161.1 10.1 40.1 -1.0 84 159 A K E > -G 52 0C 118 -2,-0.3 3,-2.3 -32,-0.2 -32,-0.3 -0.515 61.0 -92.5 -64.5 135.1 8.9 37.6 1.6 85 160 A L T 3 S+ 0 0 32 -34,-2.5 -34,-0.2 1,-0.3 -1,-0.1 -0.300 116.3 37.4 -59.6 128.7 7.1 39.6 4.3 86 161 A G T 3 S+ 0 0 47 1,-0.5 2,-0.3 -3,-0.1 -1,-0.3 0.229 95.4 100.7 109.8 -14.1 9.6 40.4 7.0 87 162 A K S < S- 0 0 99 -3,-2.3 -1,-0.5 -65,-0.0 -4,-0.1 -0.755 78.8-113.1 -98.2 154.7 12.6 41.0 4.6 88 163 A I - 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