==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-JUN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 29-JUN-12 4FVK . COMPND 2 MOLECULE: NEURAMINIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: INFLUENZA A VIRUS; . AUTHOR Q.LI,X.M.SUN,Z.X.LI,Y.LIU,C.J.VAVRICKA,J.X.QI,G.F.GAO . 734 2 14 14 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 29858.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 407 55.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 7 1.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 262 35.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, 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 . 4 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 15 2.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), 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 . 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 . 54 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 32 4.4 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 . 0 0.0 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 . 5 3 2 5 11 10 2 2 2 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 . 2 0 9 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 83 A F 0 0 180 0, 0.0 2,-0.1 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 -12.9 -8.0 -44.6 -7.8 2 84 A Y - 0 0 75 1,-0.1 100,-0.3 148,-0.1 2,-0.2 -0.389 360.0 -85.8 -67.9 162.3 -7.6 -42.5 -4.7 3 85 A W + 0 0 22 98,-2.8 147,-2.6 -2,-0.1 148,-0.5 -0.480 52.0 166.2 -77.7 145.9 -10.6 -42.7 -2.4 4 86 A R - 0 0 92 145,-0.2 145,-0.1 -2,-0.2 3,-0.1 -0.966 40.7 -92.6-149.0 154.6 -13.7 -40.6 -2.8 5 87 A A - 0 0 20 -2,-0.3 194,-0.1 143,-0.1 316,-0.1 -0.263 48.1 -94.8 -65.0 151.3 -17.2 -40.9 -1.3 6 88 A K - 0 0 59 1,-0.1 194,-0.4 324,-0.1 323,-0.2 -0.365 48.0-101.1 -61.8 154.1 -19.9 -42.8 -3.1 7 89 A S S S+ 0 0 93 320,-0.3 2,-0.3 192,-0.1 193,-0.3 0.776 99.5 26.0 -59.2 -33.9 -22.1 -40.4 -5.1 8 90 A Q S S- 0 0 113 319,-0.3 321,-3.2 191,-0.1 2,-0.3 -0.949 81.1-114.7-130.2 147.4 -25.0 -40.1 -2.7 9 91 A M B -a 329 0A 30 -2,-0.3 321,-0.2 319,-0.2 3,-0.1 -0.622 39.5-109.0 -78.0 138.6 -25.4 -40.6 1.1 10 92 A a - 0 0 21 319,-2.3 2,-0.2 -2,-0.3 -1,-0.1 -0.292 38.0 -99.3 -60.9 147.4 -27.6 -43.5 2.1 11 93 A E - 0 0 138 1,-0.0 2,-0.6 344,-0.0 -1,-0.1 -0.504 37.7-147.1 -63.9 139.5 -30.9 -42.7 3.7 12 94 A V + 0 0 16 -2,-0.2 345,-0.3 1,-0.1 3,-0.1 -0.944 35.3 155.4-117.7 114.5 -30.7 -42.8 7.4 13 95 A K S S- 0 0 83 343,-3.1 347,-0.4 -2,-0.6 2,-0.3 0.362 72.0 -10.0-113.0 -0.9 -33.8 -44.0 9.4 14 96 A G E -B 356 0B 0 342,-1.1 342,-2.4 345,-0.2 2,-0.4 -0.982 62.4-112.0-178.4-179.8 -31.9 -45.2 12.4 15 97 A W E -B 355 0B 5 -2,-0.3 340,-0.2 340,-0.2 272,-0.1 -0.992 21.0-171.0-136.1 125.2 -28.6 -46.1 14.1 16 98 A V E -B 354 0B 51 338,-2.2 338,-2.8 -2,-0.4 2,-0.3 -0.922 29.2-113.6-116.1 144.4 -27.3 -49.5 15.1 17 99 A P E -B 353 0B 27 0, 0.0 336,-0.3 0, 0.0 3,-0.2 -0.602 24.9-178.0 -76.9 128.4 -24.1 -50.2 17.1 18 100 A T E S+ 0 0 62 334,-2.4 2,-0.3 1,-0.4 335,-0.2 0.609 80.4 15.5 -95.1 -20.4 -21.4 -52.0 15.2 19 101 A H E -B 352 0B 66 333,-1.8 333,-2.7 -3,-0.1 -1,-0.4 -0.903 66.2-153.7-151.2 124.9 -19.3 -52.1 18.3 20 102 A R - 0 0 122 -2,-0.3 330,-0.1 331,-0.2 2,-0.1 -0.492 45.0 -93.3 -78.8 165.3 -20.1 -51.5 21.9 21 103 A G - 0 0 18 328,-0.2 330,-0.1 -2,-0.2 -1,-0.1 -0.469 51.3 -84.3 -75.6 155.2 -17.1 -50.3 23.9 22 104 A F - 0 0 60 328,-0.2 2,-1.8 1,-0.1 -1,-0.1 -0.450 51.1-123.1 -55.4 128.5 -15.0 -52.9 25.7 23 105 A P + 0 0 110 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 -0.181 51.4 157.3 -84.6 50.3 -17.2 -53.2 28.8 24 106 A W + 0 0 52 -2,-1.8 4,-0.2 2,-0.1 323,-0.1 -0.192 13.3 122.3 -69.2 159.6 -14.5 -52.4 31.5 25 107 A G + 0 0 29 2,-2.9 316,-0.2 314,-0.1 315,-0.1 0.396 67.1 18.5 101.5 126.6 -15.5 -51.1 34.9 26 108 A P S S+ 0 0 88 0, 0.0 316,-3.1 0, 0.0 317,-0.5 -0.992 135.5 20.3 -76.8 -7.4 -15.4 -51.4 37.8 27 109 A E - 0 0 124 314,-0.2 -2,-2.9 315,-0.1 313,-0.0 -0.805 62.5-177.6-121.0 161.9 -12.5 -53.7 36.8 28 110 A L - 0 0 6 -2,-0.3 32,-0.3 -4,-0.2 2,-0.0 -0.963 32.6 -95.1-153.5 154.4 -10.3 -54.0 33.8 29 111 A P > - 0 0 56 0, 0.0 3,-0.5 0, 0.0 28,-0.2 -0.338 42.9-101.8 -75.1 158.9 -7.4 -56.3 32.7 30 112 A G T 3 S+ 0 0 36 1,-0.2 28,-0.3 26,-0.1 3,-0.1 -0.302 100.1 40.6 -73.0 164.0 -3.7 -55.5 33.2 31 113 A D T 3 S+ 0 0 97 26,-2.5 53,-1.2 1,-0.3 2,-0.5 0.679 79.5 142.2 70.4 19.5 -1.5 -54.3 30.3 32 114 A L B < -E 83 0C 0 -3,-0.5 25,-2.1 51,-0.2 2,-0.6 -0.801 50.3-135.8 -92.6 130.7 -4.3 -52.1 28.9 33 115 A I E -F 56 0D 0 49,-3.1 2,-0.3 -2,-0.5 23,-0.2 -0.765 21.2-141.6 -78.6 121.6 -3.3 -48.8 27.5 34 116 A L E -F 55 0D 2 21,-2.8 20,-2.5 -2,-0.6 21,-1.0 -0.722 26.0-160.2 -86.8 139.8 -5.8 -46.2 28.8 35 117 A S E -F 53 0D 14 313,-0.4 313,-0.5 -2,-0.3 2,-0.3 -0.826 23.0-178.7-129.6 156.9 -6.7 -43.6 26.2 36 118 A R E S+F 52 0D 61 16,-2.0 16,-2.2 -2,-0.3 311,-0.0 -0.929 71.1 32.4-141.9 165.3 -8.2 -40.2 25.7 37 119 A R E S+ 0 0 55 -2,-0.3 2,-0.2 1,-0.2 59,-0.1 0.858 82.0 165.0 53.8 38.4 -9.0 -38.1 22.6 38 120 A A E + 0 0 5 13,-0.2 2,-0.3 -3,-0.1 13,-0.2 -0.546 10.1 162.6 -83.0 150.1 -9.7 -41.3 20.7 39 121 A Y E -F 50 0D 0 11,-2.0 11,-2.9 -2,-0.2 2,-0.3 -0.933 30.6-115.7-152.8 170.3 -11.6 -41.4 17.4 40 122 A V E +F 49 0D 0 -2,-0.3 105,-0.4 9,-0.2 2,-0.3 -0.865 28.6 168.8-115.7 152.6 -12.0 -44.0 14.6 41 123 A S E -F 48 0D 0 7,-2.2 7,-2.7 -2,-0.3 2,-0.3 -0.957 18.7-141.5-154.6 154.5 -10.9 -43.9 11.0 42 124 A b E -F 47 0D 1 277,-0.4 58,-0.5 -2,-0.3 5,-0.2 -0.843 7.0-150.8-123.4 149.4 -10.8 -46.6 8.3 43 125 A D - 0 0 29 3,-2.4 278,-0.5 -2,-0.3 279,-0.3 -0.242 57.1 -79.7 -92.6-162.4 -8.6 -47.9 5.5 44 126 A L S S+ 0 0 76 277,-0.1 3,-0.1 -2,-0.1 -2,-0.0 0.585 128.1 35.9 -76.1 -4.7 -10.2 -49.7 2.5 45 127 A T S S- 0 0 134 1,-0.4 2,-0.2 276,-0.0 -1,-0.1 0.808 122.3 -12.9-115.5 -54.3 -10.4 -52.9 4.5 46 128 A S - 0 0 51 275,-0.0 -3,-2.4 274,-0.0 -1,-0.4 -0.790 65.0 -99.5-142.5-170.5 -11.1 -52.3 8.2 47 129 A b E -F 42 0D 23 -5,-0.2 31,-2.0 -2,-0.2 2,-0.3 -0.780 24.9-158.9-120.4 154.2 -11.3 -49.6 10.9 48 130 A F E -FG 41 77D 27 -7,-2.7 -7,-2.2 -2,-0.3 2,-0.5 -0.947 18.0-129.0-133.5 147.6 -8.9 -48.4 13.6 49 131 A K E -FG 40 76D 14 27,-3.0 27,-2.0 -2,-0.3 2,-0.4 -0.890 24.1-161.1 -90.0 127.5 -9.1 -46.5 16.9 50 132 A F E +FG 39 75D 1 -11,-2.9 -11,-2.0 -2,-0.5 2,-0.3 -0.924 24.1 156.6-106.2 136.0 -6.6 -43.7 17.0 51 133 A F E - G 0 74D 4 23,-2.2 23,-3.2 -2,-0.4 2,-0.6 -0.998 46.2-113.1-160.0 156.3 -5.8 -42.3 20.5 52 134 A I E -FG 36 73D 1 -16,-2.2 -16,-2.0 -2,-0.3 2,-0.2 -0.858 38.0-136.8 -89.7 121.7 -3.5 -40.5 22.9 53 135 A A E +F 35 0D 1 19,-2.0 19,-0.4 -2,-0.6 -18,-0.2 -0.563 30.6 167.3 -72.9 141.3 -2.2 -42.9 25.6 54 136 A Y E - 0 0 21 -20,-2.5 2,-0.3 1,-0.3 14,-0.2 0.464 60.7 -3.4-130.9 -3.7 -2.1 -41.6 29.1 55 137 A G E -F 34 0D 1 -21,-1.0 -21,-2.8 12,-0.2 2,-0.4 -0.989 50.1-129.1-174.5 168.3 -1.5 -44.8 31.1 56 138 A L E -F 33 0D 15 7,-0.4 7,-3.0 -2,-0.3 -23,-0.2 -0.998 29.8-134.8-132.2 129.0 -1.0 -48.5 31.4 57 139 A S E +I 62 0E 0 -25,-2.1 -26,-2.5 -2,-0.4 2,-0.2 -0.428 27.5 163.5 -82.6 157.4 -3.0 -50.6 33.9 58 140 A A E > S-I 61 0E 29 3,-2.0 3,-1.9 -28,-0.3 -2,-0.0 -0.795 74.0 -2.4-168.8 128.4 -1.7 -53.4 36.2 59 141 A N T 3 S- 0 0 145 1,-0.3 3,-0.1 -2,-0.2 -29,-0.0 0.861 128.4 -59.5 54.0 39.9 -3.6 -54.8 39.2 60 142 A Q T 3 S+ 0 0 39 -32,-0.3 283,-0.3 1,-0.2 -1,-0.3 0.294 120.9 89.7 75.9 -7.7 -6.4 -52.4 38.7 61 143 A H E < S-I 58 0E 108 -3,-1.9 -3,-2.0 283,-0.1 2,-0.5 -0.626 84.7 -92.0-114.2 172.9 -4.2 -49.3 39.1 62 144 A L E -I 57 0E 75 281,-0.5 -5,-0.2 -5,-0.2 2,-0.2 -0.724 38.3-122.1 -81.4 128.0 -2.1 -47.1 36.9 63 145 A L - 0 0 77 -7,-3.0 2,-1.2 -2,-0.5 -7,-0.4 -0.520 31.6-114.6 -57.5 132.7 1.6 -48.1 36.5 64 146 A N + 0 0 160 -2,-0.2 2,-0.2 -9,-0.1 -1,-0.1 -0.699 67.4 134.4 -75.0 101.5 3.6 -45.1 37.6 65 150 A T S S- 0 0 50 -2,-1.2 3,-0.3 -9,-0.0 -3,-0.0 -0.679 70.0-103.6-132.5-173.2 5.2 -44.3 34.3 66 151 A S S > S+ 0 0 50 -2,-0.2 4,-1.7 1,-0.2 3,-0.3 0.154 84.8 111.6-100.9 19.8 5.8 -41.1 32.3 67 152 A M T 4 + 0 0 34 1,-0.2 5,-0.2 2,-0.2 -12,-0.2 0.831 66.7 60.3 -66.2 -35.1 3.0 -41.9 29.9 68 153 A E T 4 S+ 0 0 83 -3,-0.3 -1,-0.2 -14,-0.2 3,-0.1 0.924 117.1 27.9 -61.5 -47.9 0.7 -39.1 31.0 69 154 A W T 4 S+ 0 0 155 -3,-0.3 2,-0.8 1,-0.2 -1,-0.2 0.580 113.4 65.1 -96.6 -9.3 3.1 -36.1 30.2 70 155 A E S < S- 0 0 125 -4,-1.7 2,-0.3 -16,-0.1 -1,-0.2 -0.748 84.6-165.8-104.9 83.2 5.0 -37.8 27.4 71 156 A E + 0 0 35 -2,-0.8 22,-2.2 -3,-0.1 2,-0.3 -0.502 13.8 173.4 -81.1 131.8 2.0 -38.1 25.1 72 157 A S E - H 0 92D 19 -19,-0.4 -19,-2.0 20,-0.3 2,-0.3 -0.983 29.3-120.5-137.3 150.2 2.1 -40.3 22.0 73 158 A L E -GH 52 91D 0 18,-3.7 17,-2.7 -2,-0.3 18,-0.9 -0.691 32.0-173.5 -87.5 138.7 -0.5 -41.3 19.5 74 159 A Y E -GH 51 89D 23 -23,-3.2 -23,-2.2 -2,-0.3 2,-0.3 -0.841 13.5-146.5-127.5 167.6 -1.4 -45.0 19.1 75 160 A K E +GH 50 88D 34 13,-1.6 13,-2.8 -2,-0.3 -25,-0.2 -0.994 16.4 173.2-137.2 139.8 -3.5 -47.1 16.8 76 161 A T E -G 49 0D 0 -27,-2.0 -27,-3.0 -2,-0.3 11,-0.1 -0.990 39.9-101.3-143.3 141.2 -5.5 -50.3 17.5 77 162 A P E > -G 48 0D 45 0, 0.0 3,-1.9 0, 0.0 -29,-0.3 -0.356 35.4-119.6 -61.0 145.6 -7.9 -52.4 15.3 78 163 A I T 3 S+ 0 0 32 -31,-2.0 -30,-0.1 1,-0.3 -32,-0.0 0.865 111.4 56.0 -57.4 -37.1 -11.6 -51.6 16.3 79 164 A G T 3 S+ 0 0 52 -32,-0.3 2,-0.4 2,-0.0 -1,-0.3 0.394 98.7 75.8 -77.7 2.5 -12.2 -55.2 17.2 80 164AA S S < S- 0 0 37 -3,-1.9 -58,-0.1 6,-0.1 -4,-0.0 -0.902 80.7-114.3-118.3 149.5 -9.3 -55.5 19.7 81 165 A A - 0 0 23 -2,-0.4 2,-1.5 1,-0.1 5,-0.1 -0.340 43.7-103.9 -66.6 157.3 -8.8 -54.3 23.2 82 166 A S + 0 0 3 -49,-0.2 -49,-3.1 -6,-0.1 2,-0.1 -0.468 64.1 149.4 -91.4 68.7 -6.1 -51.7 23.5 83 167 A T B >> -E 32 0C 31 -2,-1.5 4,-1.5 -51,-0.2 3,-0.6 -0.489 60.3-107.1 -92.4 167.7 -3.2 -53.8 24.9 84 168 A L T 34 S+ 0 0 92 -53,-1.2 -52,-0.1 1,-0.2 -1,-0.1 0.838 118.8 52.3 -58.9 -36.9 0.6 -53.4 24.5 85 169 A S T 34 S+ 0 0 118 -54,-0.2 -1,-0.2 1,-0.2 -3,-0.0 0.758 118.7 35.0 -74.9 -20.4 0.7 -56.5 22.2 86 170 A T T <4 S+ 0 0 50 -3,-0.6 2,-0.3 -5,-0.1 -2,-0.2 0.548 102.3 78.1-113.7 -9.5 -2.0 -55.2 20.0 87 171 A S < - 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