==== 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 16-MAR-05 1Z4V . COMPND 2 MOLECULE: HEMAGGLUTININ-NEURAMINIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SIMIAN VIRUS 5; . AUTHOR P.YUAN,T.B.THOMPSON,B.A.WURZBURG,R.G.PATERSON,R.A.LAMB,T.S.J . 444 2 6 5 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16534.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 289 65.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 6 1.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 157 35.4 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 . 6 1.4 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 . 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 . 49 11.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 35 7.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 23 5.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), 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 . 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 1 0 2 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 PARALLEL BRIDGES PER LADDER . 2 1 2 2 3 2 5 1 1 3 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 1 118 A I 0 0 130 0, 0.0 55,-0.2 0, 0.0 54,-0.1 0.000 360.0 360.0 360.0 155.3 149.8 -19.8 -137.4 2 119 A N - 0 0 2 53,-1.5 79,-0.2 52,-0.3 5,-0.1 -0.233 360.0 -91.3 -60.2 150.0 151.8 -22.9 -136.3 3 120 A D >> - 0 0 59 77,-2.5 3,-2.6 1,-0.1 4,-1.6 -0.203 35.9-107.5 -60.4 152.6 152.9 -22.8 -132.7 4 121 A N T 34 S+ 0 0 125 1,-0.3 4,-0.5 2,-0.2 408,-0.1 0.738 117.1 69.6 -53.7 -24.3 156.4 -21.3 -131.9 5 122 A R T 34 S+ 0 0 76 1,-0.2 407,-2.5 2,-0.1 408,-0.5 0.637 112.1 26.0 -70.9 -13.2 157.6 -24.9 -131.3 6 123 A Y T X4 S+ 0 0 0 -3,-2.6 3,-2.6 405,-0.2 404,-0.2 0.633 91.8 90.0-123.7 -21.2 157.3 -25.7 -134.9 7 124 A I T 3< S+ 0 0 31 -4,-1.6 3,-0.3 1,-0.3 -3,-0.1 0.778 100.0 38.9 -52.2 -29.7 157.7 -22.5 -137.0 8 125 A N T 3 S+ 0 0 92 -4,-0.5 -1,-0.3 1,-0.2 -2,-0.1 0.238 107.2 65.5-104.8 13.2 161.5 -23.1 -137.2 9 126 A G S < S+ 0 0 0 -3,-2.6 401,-2.8 401,-0.1 2,-0.4 0.067 77.6 108.5-121.9 28.1 161.4 -26.9 -137.6 10 127 A I S S+ 0 0 14 -3,-0.3 267,-0.2 1,-0.2 399,-0.1 -0.833 75.4 2.1-113.8 144.7 159.8 -27.2 -141.0 11 128 A N S S+ 0 0 33 397,-0.5 266,-2.6 -2,-0.4 2,-0.3 0.946 95.7 114.5 51.6 62.1 161.1 -28.2 -144.4 12 129 A Q S S- 0 0 65 264,-0.3 2,-0.7 -3,-0.2 -1,-0.2 -0.939 76.5 -99.4-148.9 166.3 164.7 -29.0 -143.5 13 130 A F - 0 0 43 -2,-0.3 336,-0.2 1,-0.1 337,-0.1 -0.856 38.9-166.7 -87.6 118.1 167.2 -31.9 -143.3 14 131 A Y + 0 0 8 -2,-0.7 2,-0.3 334,-0.3 336,-0.2 0.752 57.3 46.6 -84.1 -23.9 167.0 -32.6 -139.6 15 132 A F B S-a 350 0A 19 334,-2.4 336,-0.6 2,-0.0 2,-0.1 -0.887 72.9-122.7-125.2 154.1 170.0 -34.9 -139.0 16 133 A S > - 0 0 57 -2,-0.3 4,-2.1 334,-0.1 -2,-0.0 -0.353 40.3-102.1 -80.4 166.4 173.7 -35.0 -140.0 17 134 A I H > S+ 0 0 29 1,-0.2 4,-0.7 2,-0.2 -1,-0.1 0.927 123.7 51.4 -56.4 -46.0 175.1 -38.0 -141.9 18 135 A A H >4 S+ 0 0 58 1,-0.2 3,-0.8 2,-0.2 4,-0.3 0.900 110.2 47.8 -58.9 -44.4 176.6 -39.4 -138.7 19 136 A E H >4 S+ 0 0 70 1,-0.2 3,-1.7 2,-0.2 426,-0.2 0.833 98.6 69.9 -67.4 -32.0 173.3 -39.1 -136.8 20 137 A G H >< S+ 0 0 0 -4,-2.1 3,-1.0 1,-0.3 -1,-0.2 0.785 89.9 62.6 -57.2 -27.3 171.3 -40.8 -139.6 21 138 A R T << S+ 0 0 145 -3,-0.8 -1,-0.3 -4,-0.7 -2,-0.2 0.740 104.1 48.0 -71.3 -21.3 173.0 -44.1 -138.8 22 139 A N T < S+ 0 0 95 -3,-1.7 423,-3.7 -4,-0.3 2,-0.4 -0.075 81.7 126.5-112.2 34.1 171.5 -44.2 -135.4 23 140 A L E < +B 444 0B 6 -3,-1.0 2,-0.3 421,-0.2 421,-0.2 -0.761 29.1 173.6 -98.2 138.6 167.9 -43.4 -136.1 24 141 A T E -B 443 0B 52 419,-2.3 419,-2.4 -2,-0.4 2,-0.3 -0.941 33.4-107.8-136.7 155.4 165.0 -45.6 -135.0 25 142 A L E -B 442 0B 17 -2,-0.3 417,-0.2 417,-0.2 366,-0.1 -0.677 31.6-145.9 -85.4 137.3 161.2 -45.3 -135.2 26 143 A G E - 0 0 8 415,-3.1 3,-0.1 -2,-0.3 -1,-0.1 -0.195 37.9 -66.4 -90.2-175.6 159.4 -44.6 -131.9 27 144 A P E - 0 0 98 0, 0.0 414,-0.5 0, 0.0 -1,-0.2 -0.335 57.5 -96.8 -68.0 161.1 155.9 -45.9 -130.9 28 145 A L E -B 440 0B 58 412,-0.1 2,-0.4 -3,-0.1 412,-0.2 -0.529 43.8-143.9 -75.7 141.6 152.9 -44.7 -132.7 29 146 A L - 0 0 52 410,-2.9 2,-0.7 -2,-0.2 410,-0.5 -0.873 8.6-121.4-111.4 146.4 151.3 -41.8 -130.8 30 147 A N + 0 0 150 -2,-0.4 408,-0.1 408,-0.1 410,-0.0 -0.786 41.3 153.1 -95.1 115.5 147.6 -41.1 -130.4 31 148 A M - 0 0 15 -2,-0.7 2,-0.4 408,-0.0 58,-0.1 -0.901 55.4 -87.6-131.2 157.6 146.3 -37.8 -131.6 32 149 A P - 0 0 83 0, 0.0 58,-0.4 0, 0.0 2,-0.1 -0.559 52.9-118.6 -68.4 122.6 142.8 -36.8 -132.9 33 150 A S - 0 0 65 -2,-0.4 405,-0.0 1,-0.1 403,-0.0 -0.368 18.8-160.3 -63.8 139.2 142.9 -37.4 -136.6 34 151 A F + 0 0 12 -2,-0.1 -1,-0.1 2,-0.1 25,-0.1 0.336 69.6 91.1 -99.5 4.4 142.4 -34.4 -138.9 35 152 A I S S- 0 0 6 400,-0.1 -2,-0.1 402,-0.0 400,-0.0 -0.898 80.1-125.5-105.1 115.4 141.4 -36.6 -141.8 36 153 A P - 0 0 44 0, 0.0 399,-0.3 0, 0.0 2,-0.2 -0.261 18.8-137.9 -63.6 144.5 137.7 -37.3 -142.1 37 154 A T - 0 0 72 397,-0.1 2,-0.1 1,-0.1 394,-0.1 -0.534 21.3-104.5 -96.6 160.7 136.3 -40.9 -142.2 38 155 A A - 0 0 14 395,-0.3 -1,-0.1 392,-0.2 27,-0.0 -0.460 18.7-148.8 -80.9 159.6 133.5 -42.2 -144.4 39 156 A T S S+ 0 0 131 -2,-0.1 -1,-0.1 391,-0.1 3,-0.0 0.242 75.0 58.0-115.6 10.9 130.1 -42.9 -142.8 40 157 A T S S- 0 0 49 1,-0.1 391,-1.8 25,-0.0 3,-0.2 -0.933 85.1-117.4-133.3 157.6 128.9 -45.8 -144.9 41 158 A P S S+ 0 0 87 0, 0.0 386,-0.1 0, 0.0 -1,-0.1 0.860 115.8 40.2 -64.1 -33.7 130.5 -49.2 -145.5 42 159 A E S S+ 0 0 76 389,-0.2 25,-2.0 23,-0.1 390,-0.2 0.595 84.0 120.8 -92.7 -11.9 130.9 -48.5 -149.2 43 160 A G - 0 0 7 -3,-0.2 389,-2.8 23,-0.2 2,-0.5 -0.229 52.7-146.2 -52.8 139.9 131.9 -44.9 -149.0 44 161 A a E +F 64 0C 2 20,-3.0 20,-2.9 23,-0.3 2,-0.5 -0.945 21.0 177.5-120.3 120.2 135.3 -44.3 -150.6 45 162 A T E +F 63 0C 4 -2,-0.5 2,-0.3 388,-0.3 18,-0.2 -0.977 26.7 142.5-116.8 119.6 137.9 -41.8 -149.5 46 163 A R E +F 62 0C 46 16,-2.3 16,-3.0 -2,-0.5 -2,-0.0 -0.935 30.2 50.5-149.4 173.6 141.2 -41.9 -151.5 47 164 A I E - 0 0 29 -2,-0.3 15,-0.2 14,-0.2 -1,-0.2 0.983 62.1-164.6 60.9 67.6 144.1 -39.9 -153.0 48 165 A P E - 0 0 0 0, 0.0 2,-0.3 0, 0.0 13,-0.2 -0.381 9.7-167.3 -78.8 159.1 145.3 -37.7 -150.2 49 166 A S E -F 60 0C 0 11,-1.8 11,-1.8 59,-0.1 2,-0.4 -0.973 7.3-174.2-144.0 133.6 147.5 -34.7 -150.7 50 167 A F E -F 59 0C 0 -2,-0.3 2,-0.4 9,-0.2 123,-0.3 -0.993 8.0-178.3-139.3 130.6 149.2 -32.9 -147.8 51 168 A S E -F 58 0C 8 7,-2.5 7,-2.8 -2,-0.4 2,-0.5 -0.994 4.0-173.3-130.0 127.7 151.3 -29.8 -147.7 52 169 A L E +F 57 0C 10 -2,-0.4 5,-0.2 5,-0.2 2,-0.2 -0.984 11.3 167.4-126.0 129.0 152.9 -28.4 -144.5 53 170 A T - 0 0 35 3,-2.7 -51,-0.1 -2,-0.5 -42,-0.1 -0.716 51.6 -81.9-129.4 177.3 154.7 -25.1 -144.4 54 171 A K S S+ 0 0 101 -2,-0.2 -52,-0.3 1,-0.2 -45,-0.1 0.881 125.7 32.1 -48.1 -47.3 156.1 -22.7 -141.8 55 172 A T S S- 0 0 52 1,-0.2 -53,-1.5 -54,-0.1 2,-0.3 0.838 127.2 -31.5 -86.3 -34.9 152.7 -21.0 -141.1 56 173 A H - 0 0 21 -55,-0.2 -3,-2.7 23,-0.1 2,-0.3 -0.962 54.1-102.8-167.4-177.2 150.2 -23.9 -141.6 57 174 A W E -FG 52 78C 0 21,-2.6 21,-1.9 -2,-0.3 2,-0.4 -0.898 16.5-154.9-125.5 154.6 149.2 -27.1 -143.3 58 175 A b E -FG 51 77C 0 -7,-2.8 -7,-2.5 -2,-0.3 2,-0.3 -0.971 14.1-177.0-126.1 141.1 146.7 -27.9 -146.1 59 176 A Y E +FG 50 76C 0 17,-3.0 17,-3.2 -2,-0.4 2,-0.3 -0.991 6.3 164.3-140.0 148.7 145.1 -31.3 -146.6 60 177 A T E +FG 49 75C 0 -11,-1.8 -11,-1.8 -2,-0.3 2,-0.3 -0.990 5.7 173.8-160.5 152.1 142.7 -32.8 -149.2 61 178 A H E - G 0 74C 2 13,-1.7 13,-2.5 -2,-0.3 2,-0.3 -0.981 33.6-101.6-157.1 160.4 141.3 -36.1 -150.5 62 179 A N E -FG 46 73C 5 -16,-3.0 -16,-2.3 -2,-0.3 2,-0.5 -0.661 28.0-158.5 -89.2 139.1 138.7 -37.4 -153.0 63 180 A V E -FG 45 72C 22 9,-3.1 9,-2.7 -2,-0.3 2,-0.5 -0.974 9.6-178.4-121.1 125.5 135.4 -38.7 -151.8 64 181 A I E -F 44 0C 26 -20,-2.9 -20,-3.0 -2,-0.5 3,-0.2 -0.990 21.6-144.1-121.8 128.9 133.2 -41.1 -153.9 65 182 A L S S+ 0 0 107 -2,-0.5 2,-0.5 1,-0.2 -1,-0.1 0.880 85.4 31.6 -61.9 -42.7 129.8 -42.1 -152.5 66 183 A N S S- 0 0 117 1,-0.2 3,-0.5 3,-0.2 -1,-0.2 -0.893 120.0 -38.7-126.1 107.8 129.7 -45.7 -153.7 67 184 A G S S- 0 0 19 -25,-2.0 -23,-0.3 -2,-0.5 -1,-0.2 0.083 78.1 -76.9 70.5 171.7 132.9 -47.8 -154.1 68 185 A a 0 0 37 -25,-0.1 -1,-0.2 -3,-0.1 -25,-0.0 0.081 360.0 360.0 -97.0 25.5 136.2 -46.5 -155.4 69 186 A Q 0 0 211 -3,-0.5 -3,-0.2 -5,-0.0 -25,-0.1 -0.281 360.0 360.0-134.0 360.0 135.3 -46.4 -159.1 70 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 71 191 A S 0 0 45 0, 0.0 29,-0.3 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 168.9 133.0 -37.4 -156.8 72 192 A N E -G 63 0C 23 -9,-2.7 -9,-3.1 27,-0.1 2,-0.5 -0.872 360.0-134.8-127.3 161.1 133.6 -34.6 -154.3 73 193 A Q E -GH 62 98C 3 25,-2.0 25,-2.6 -2,-0.3 2,-0.4 -0.973 11.0-150.4-126.6 120.4 136.8 -33.3 -152.9 74 194 A F E -GH 61 97C 23 -13,-2.5 -13,-1.7 -2,-0.5 2,-0.4 -0.727 15.5-171.6 -87.5 133.7 137.4 -32.6 -149.2 75 195 A V E +GH 60 96C 0 21,-2.9 21,-2.5 -2,-0.4 2,-0.3 -0.977 5.9 176.1-127.8 142.0 139.8 -29.8 -148.2 76 196 A S E -GH 59 95C 0 -17,-3.2 -17,-3.0 -2,-0.4 2,-0.3 -0.989 5.4-176.5-143.2 149.6 141.1 -28.9 -144.8 77 197 A M E +GH 58 94C 3 17,-2.2 16,-2.6 -2,-0.3 17,-1.5 -0.996 20.5 121.7-147.7 149.4 143.6 -26.4 -143.4 78 198 A G E -GH 57 92C 4 -21,-1.9 -21,-2.6 -2,-0.3 2,-0.2 -0.931 43.8 -88.9-174.5-161.1 145.0 -25.7 -140.0 79 199 A I E - H 0 91C 16 12,-2.1 12,-2.2 -2,-0.3 2,-0.4 -0.757 28.9-112.2-129.6 175.4 148.0 -25.4 -137.7 80 200 A I E + H 0 90C 0 -2,-0.2 -77,-2.5 10,-0.2 10,-0.2 -0.918 34.4 170.8-113.7 137.1 150.2 -27.6 -135.4 81 201 A E E - H 0 89C 64 8,-1.8 8,-1.4 -2,-0.4 2,-0.1 -0.993 33.1-103.5-144.7 149.6 150.3 -27.1 -131.6 82 202 A P E - H 0 88C 33 0, 0.0 2,-0.2 0, 0.0 5,-0.1 -0.408 27.7-145.1 -74.4 146.7 151.7 -29.1 -128.7 83 203 A T > - 0 0 42 4,-1.8 3,-2.2 -2,-0.1 6,-0.0 -0.580 34.8 -98.5-101.7 170.3 149.7 -31.2 -126.4 84 204 A S T 3 S+ 0 0 141 1,-0.3 -1,-0.0 -2,-0.2 0, 0.0 0.735 125.0 59.1 -62.5 -20.0 150.3 -31.7 -122.7 85 205 A A T 3 S- 0 0 70 2,-0.2 -1,-0.3 3,-0.0 0, 0.0 0.533 118.9-112.7 -84.9 -6.8 152.0 -35.0 -123.6 86 206 A G S < S+ 0 0 19 -3,-2.2 328,-0.1 1,-0.3 -2,-0.1 0.074 80.3 107.5 100.4 -26.1 154.5 -33.1 -125.7 87 207 A F S S- 0 0 37 1,-0.1 -4,-1.8 -5,-0.1 -1,-0.3 -0.454 72.3 -83.0 -90.1 164.6 153.5 -34.3 -129.1 88 208 A P E -H 82 0C 0 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 -0.111 26.3-163.3 -63.1 155.2 151.7 -32.5 -131.9 89 209 A F E -H 81 0C 52 -8,-1.4 -8,-1.8 -58,-0.1 2,-1.1 -0.980 19.5-138.7-136.8 118.2 148.0 -32.0 -132.5 90 210 A F E -H 80 0C 2 -2,-0.4 2,-0.6 -58,-0.4 -10,-0.2 -0.738 22.8-155.2 -84.0 101.7 147.0 -30.9 -136.0 91 211 A R E -H 79 0C 113 -12,-2.2 -12,-2.1 -2,-1.1 2,-0.4 -0.700 4.7-142.9 -83.7 115.2 144.3 -28.3 -135.3 92 212 A T E +H 78 0C 53 -2,-0.6 -14,-0.3 -14,-0.2 3,-0.1 -0.633 23.8 173.3 -78.3 128.4 141.8 -27.8 -138.1 93 213 A L E + 0 0 53 -16,-2.6 2,-0.3 -2,-0.4 -15,-0.2 0.485 67.4 17.8-112.2 -9.0 140.8 -24.2 -138.5 94 214 A K E -H 77 0C 32 -17,-1.5 -17,-2.2 2,-0.0 -1,-0.3 -0.945 58.3-167.1-163.3 142.8 138.8 -24.5 -141.7 95 215 A T E -H 76 0C 82 -2,-0.3 2,-0.3 -19,-0.2 -19,-0.2 -0.931 7.5-176.6-130.8 149.3 137.1 -27.3 -143.7 96 216 A L E -H 75 0C 17 -21,-2.5 -21,-2.9 -2,-0.3 2,-0.4 -0.987 12.4-160.3-145.7 147.8 135.7 -27.2 -147.3 97 217 A Y E -H 74 0C 106 -2,-0.3 2,-1.1 -23,-0.2 -23,-0.2 -0.872 11.0-152.3-135.6 98.9 133.8 -29.7 -149.3 98 218 A L E +H 73 0C 26 -25,-2.6 -25,-2.0 -2,-0.4 2,-0.4 -0.609 34.8 153.1 -74.1 100.4 133.9 -29.1 -153.1 99 219 A S + 0 0 68 -2,-1.1 -27,-0.1 -27,-0.2 4,-0.1 -0.896 19.2 113.8-134.1 100.9 130.6 -30.8 -154.1 100 220 A D S S- 0 0 97 -2,-0.4 -1,-0.1 -29,-0.3 3,-0.1 0.242 89.6 -85.2-155.8 17.8 129.1 -29.3 -157.3 101 221 A G S S+ 0 0 77 -30,-0.3 2,-0.7 1,-0.3 -29,-0.1 0.252 88.9 122.5 93.3 -17.0 129.1 -31.8 -160.1 102 222 A V - 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