==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=18-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 01-DEC-03 1USX . COMPND 2 MOLECULE: HEMAGGLUTININ-NEURAMINIDASE GLYCOPROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: NEWCASTLE DISEASE VIRUS; . AUTHOR V.ZAITSEV,M.VON ITZSTEIN,D.GROVES,M.KIEFEL,T.TAKIMOTO, . 1338 3 18 18 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 46238.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 822 61.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 17 1.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 437 32.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 6 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 9 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 19 1.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 3 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 155 11.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 93 7.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 51 3.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 0.4 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 6 2 1 0 0 1 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 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 PARALLEL BRIDGES PER LADDER . 7 3 11 9 6 6 11 1 6 6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 6 0 11 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 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 1 124 A G 0 0 139 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 120.3 -1.8 27.9 86.1 2 125 A A - 0 0 63 1,-0.2 120,-0.0 0, 0.0 0, 0.0 -0.597 360.0 -88.3-102.6 166.7 1.6 29.1 85.0 3 126 A P + 0 0 33 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 -0.231 51.9 177.1 -67.7 165.7 4.4 30.6 87.1 4 127 A I - 0 0 84 83,-0.0 57,-0.2 84,-0.0 83,-0.1 -0.924 32.6 -90.0-173.5 146.8 4.3 34.4 87.8 5 128 A H - 0 0 2 55,-1.1 84,-0.2 -2,-0.3 5,-0.2 -0.186 57.7 -89.4 -57.4 147.9 6.0 37.2 89.7 6 129 A D >> - 0 0 34 82,-2.9 3,-2.6 1,-0.1 4,-1.0 -0.226 44.3-106.3 -55.4 147.6 4.8 38.1 93.2 7 130 A P T 34 S+ 0 0 104 0, 0.0 -1,-0.1 0, 0.0 406,-0.1 0.794 115.9 73.9 -49.5 -31.7 2.0 40.6 93.1 8 131 A D T 34 S+ 0 0 28 1,-0.2 405,-1.5 404,-0.1 406,-0.1 0.765 105.2 40.2 -55.5 -20.1 4.3 43.4 94.3 9 132 A F T X4 S+ 0 0 0 -3,-2.6 3,-2.9 402,-0.2 403,-0.3 0.750 82.7 117.3 -99.2 -31.5 5.7 43.3 90.8 10 133 A I T 3< S+ 0 0 74 -4,-1.0 50,-0.1 1,-0.3 49,-0.0 -0.149 83.8 20.6 -46.8 119.3 2.7 42.8 88.7 11 134 A G T 3 S+ 0 0 47 48,-0.2 -1,-0.3 2,-0.1 400,-0.1 0.268 106.6 84.5 102.9 -7.3 2.3 45.9 86.5 12 135 A G < + 0 0 2 -3,-2.9 398,-3.1 398,-0.1 2,-0.4 0.180 67.6 91.3-112.2 18.8 6.0 46.9 86.7 13 136 A I S S- 0 0 11 396,-0.2 396,-0.1 1,-0.2 -2,-0.1 -0.952 96.2 -3.4-118.5 132.6 7.5 44.7 84.0 14 137 A G S S+ 0 0 25 394,-0.5 271,-1.6 -2,-0.4 2,-0.3 0.820 102.3 113.2 61.8 36.2 7.9 45.7 80.4 15 138 A K S S- 0 0 114 269,-0.2 2,-0.4 -3,-0.2 -1,-0.2 -0.787 82.6 -76.9-127.9 170.2 6.3 49.1 80.8 16 139 A E - 0 0 40 -2,-0.3 3,-0.1 1,-0.2 337,-0.1 -0.588 45.0-165.5 -69.6 123.9 7.5 52.7 80.5 17 140 A L + 0 0 9 -2,-0.4 2,-0.5 335,-0.4 337,-0.2 0.975 67.5 25.4 -77.2 -59.1 9.2 53.2 83.9 18 141 A I E -a 354 0A 24 335,-2.4 337,-4.5 345,-0.1 2,-0.6 -0.931 58.7-170.7-115.2 128.7 9.6 56.9 84.0 19 142 A V E +a 355 0A 68 -2,-0.5 2,-0.3 335,-0.2 337,-0.2 -0.936 27.7 150.3-116.5 103.9 7.4 59.5 82.3 20 143 A D - 0 0 36 335,-2.6 337,-0.1 -2,-0.6 -2,-0.0 -0.915 27.1-179.4-130.7 156.2 9.0 62.9 82.6 21 144 A N S S+ 0 0 63 -2,-0.3 -1,-0.1 335,-0.2 335,-0.1 0.619 86.9 19.9-124.1 -38.4 8.9 66.0 80.4 22 145 A A S S+ 0 0 85 2,-0.1 3,-0.1 3,-0.0 -2,-0.1 0.849 92.7 102.4-101.6 -46.5 11.0 68.6 82.2 23 146 A S S S- 0 0 29 1,-0.1 2,-0.4 2,-0.1 -3,-0.1 -0.026 84.4-106.7 -37.4 138.6 13.2 66.7 84.6 24 147 A D > - 0 0 110 1,-0.2 3,-2.3 2,-0.0 4,-0.5 -0.626 22.3-133.5 -73.8 128.3 16.7 66.4 83.2 25 148 A V G > S+ 0 0 12 -2,-0.4 3,-1.1 1,-0.3 -1,-0.2 0.891 106.1 52.3 -49.4 -41.0 17.1 62.8 82.1 26 149 A T G 3 S+ 0 0 37 1,-0.2 364,-0.5 363,-0.1 -1,-0.3 0.565 82.2 85.5 -75.5 -8.0 20.5 62.7 83.8 27 150 A S G < S+ 0 0 15 -3,-2.3 418,-2.4 362,-0.1 -1,-0.2 0.798 83.7 74.2 -63.6 -21.3 19.2 64.0 87.2 28 151 A F E < +F 444 0B 17 -3,-1.1 362,-0.4 -4,-0.5 354,-0.3 -0.499 67.5 170.1 -84.3 158.4 18.4 60.3 87.8 29 152 A Y E -F 443 0B 39 414,-2.5 414,-3.6 -2,-0.2 2,-0.2 -0.991 34.7 -83.0-162.9 166.0 21.3 57.9 88.6 30 153 A P E -F 442 0B 3 0, 0.0 412,-0.2 0, 0.0 3,-0.1 -0.490 37.0-133.5 -78.0 145.4 22.3 54.3 89.7 31 154 A S - 0 0 10 410,-1.2 3,-0.1 1,-0.2 2,-0.1 -0.244 46.4 -72.7 -82.4 178.2 22.4 53.4 93.4 32 155 A A S S- 0 0 72 1,-0.1 409,-0.3 -2,-0.1 -1,-0.2 -0.478 73.4 -78.3 -70.3 150.3 25.4 51.5 94.8 33 156 A F - 0 0 30 360,-0.2 407,-0.2 407,-0.1 2,-0.2 -0.195 55.0-131.9 -52.3 137.2 25.2 47.9 93.6 34 157 A Q - 0 0 56 405,-2.8 2,-0.7 -3,-0.1 405,-0.4 -0.511 7.7-118.7 -93.1 162.1 22.7 45.9 95.6 35 158 A E + 0 0 13 -2,-0.2 2,-0.2 403,-0.1 482,-0.1 -0.891 50.9 148.6-102.8 105.1 23.1 42.5 97.3 36 159 A H - 0 0 8 -2,-0.7 2,-1.0 401,-0.2 455,-0.3 -0.787 57.8 -63.1-131.0 175.4 20.5 40.1 95.8 37 160 A L - 0 0 10 59,-0.4 2,-0.8 -2,-0.2 61,-0.4 -0.443 50.6-136.1 -64.2 96.2 20.1 36.4 95.0 38 161 A N + 0 0 10 -2,-1.0 451,-0.2 451,-0.4 -1,-0.1 -0.346 28.8 177.1 -58.4 100.3 22.9 35.7 92.5 39 162 A F + 0 0 10 -2,-0.8 -1,-0.2 449,-0.1 -2,-0.1 0.388 48.8 94.2 -90.0 4.7 20.9 33.6 90.0 40 163 A I S S- 0 0 5 449,-0.1 449,-0.3 397,-0.1 -1,-0.1 -0.865 76.4-126.7-106.7 113.8 23.7 33.1 87.5 41 164 A P - 0 0 12 0, 0.0 394,-0.4 0, 0.0 445,-0.1 -0.063 23.7-146.7 -47.7 146.5 25.8 30.0 87.9 42 165 A A - 0 0 21 443,-0.2 443,-0.3 1,-0.2 392,-0.1 -0.792 31.0 -78.4-117.3 161.8 29.5 30.5 88.1 43 166 A P - 0 0 2 0, 0.0 -1,-0.2 0, 0.0 387,-0.1 -0.084 32.4-164.3 -53.8 162.5 32.3 28.4 86.8 44 167 A T + 0 0 1 839,-0.1 842,-0.3 -3,-0.1 2,-0.3 0.390 68.7 53.4-127.7 -5.4 33.2 25.3 88.9 45 168 A T S S- 0 0 13 840,-0.1 3,-0.2 438,-0.1 436,-0.1 -0.840 88.6-109.6-127.5 164.9 36.6 24.4 87.5 46 169 A G S S+ 0 0 55 -2,-0.3 385,-1.2 384,-0.2 -1,-0.0 0.751 116.8 32.7 -68.4 -23.0 39.7 26.4 86.9 47 170 A S S S+ 0 0 60 383,-0.1 385,-0.2 384,-0.1 -1,-0.2 0.487 82.9 128.7-111.8 -6.3 39.3 26.5 83.1 48 171 A G - 0 0 0 -3,-0.2 2,-0.5 23,-0.1 384,-0.5 -0.232 45.9-149.5 -54.1 134.7 35.5 26.5 82.7 49 172 A a E -G 69 0C 2 20,-2.8 20,-1.9 382,-0.2 2,-0.6 -0.935 15.6-178.1-113.2 120.0 34.4 29.3 80.4 50 173 A T E +G 68 0C 3 -2,-0.5 2,-0.3 383,-0.4 18,-0.2 -0.936 26.0 139.8-117.7 109.1 30.9 30.9 80.9 51 174 A R E +G 67 0C 46 16,-0.9 16,-2.8 -2,-0.6 -2,-0.0 -0.879 28.9 53.7-141.8 174.1 30.1 33.6 78.3 52 175 A I E - 0 0 26 -2,-0.3 -1,-0.2 14,-0.2 63,-0.1 0.981 62.4-158.5 66.7 65.5 27.4 35.2 76.0 53 176 A P E - 0 0 5 0, 0.0 2,-0.3 0, 0.0 13,-0.2 -0.179 10.4-170.5 -69.7 164.3 24.5 36.0 78.3 54 177 A S E +G 65 0C 0 11,-0.8 11,-1.8 126,-0.1 2,-0.4 -0.880 6.7 175.6-159.7 123.8 20.9 36.5 77.2 55 178 A F E +G 64 0C 2 -2,-0.3 126,-0.3 9,-0.2 2,-0.3 -0.987 10.8 159.3-138.7 143.2 18.0 37.8 79.2 56 179 A D E -G 63 0C 20 7,-1.5 7,-3.6 -2,-0.4 2,-0.4 -0.920 14.5-166.3-158.4 135.4 14.3 38.7 78.6 57 180 A M E -G 62 0C 11 -2,-0.3 5,-0.3 5,-0.3 2,-0.1 -0.979 6.2-162.3-133.2 116.6 11.5 39.0 81.2 58 181 A S - 0 0 32 3,-2.0 -44,-0.1 -2,-0.4 62,-0.1 -0.269 46.7 -84.5 -87.1-180.0 7.8 39.2 80.2 59 182 A A S S+ 0 0 66 1,-0.2 -54,-0.2 60,-0.1 -48,-0.2 0.636 128.6 31.4 -61.3 -11.9 5.0 40.4 82.4 60 183 A T S S+ 0 0 47 1,-0.3 -55,-1.1 -56,-0.1 2,-0.2 0.813 124.4 1.2-112.7 -51.4 4.9 36.8 83.9 61 184 A H - 0 0 0 -57,-0.2 -3,-2.0 26,-0.1 2,-0.4 -0.769 58.5-125.7-133.6 179.0 8.3 35.2 83.9 62 185 A Y E -GH 57 86C 0 24,-2.6 24,-1.8 -5,-0.3 2,-0.3 -0.988 16.8-153.6-131.2 141.4 12.0 35.8 83.1 63 186 A b E +GH 56 85C 0 -7,-3.6 -7,-1.5 -2,-0.4 2,-0.3 -0.868 13.2 178.7-116.5 148.6 14.3 33.7 80.9 64 187 A Y E +GH 55 84C 2 20,-1.8 20,-1.6 -2,-0.3 2,-0.3 -0.979 4.7 166.0-151.5 137.8 18.1 33.4 81.0 65 188 A T E +GH 54 83C 0 -11,-1.8 -11,-0.8 -2,-0.3 2,-0.3 -0.998 3.1 171.2-150.6 149.6 20.8 31.5 79.1 66 189 A H E - H 0 82C 3 16,-1.2 16,-2.6 -2,-0.3 -14,-0.2 -0.953 30.7-107.3-149.9 165.2 24.6 31.5 78.7 67 190 A N E -GH 51 81C 5 -16,-2.8 -16,-0.9 -2,-0.3 2,-0.3 -0.545 21.8-158.1 -97.3 159.4 27.2 29.2 77.1 68 191 A V E -GH 50 80C 8 12,-1.6 12,-1.9 -18,-0.2 2,-0.4 -0.901 9.3-179.1-145.7 116.6 29.8 26.9 78.6 69 192 A I E > -G 49 0C 15 -20,-1.9 -20,-2.8 -2,-0.3 3,-0.6 -0.935 17.0-151.2-111.6 132.4 33.0 25.6 77.2 70 193 A L T 3 S+ 0 0 63 -2,-0.4 -1,-0.2 -22,-0.2 3,-0.1 0.971 86.8 47.0 -67.8 -56.9 35.1 23.2 79.3 71 194 A S T 3 S- 0 0 51 1,-0.2 -1,-0.2 -23,-0.1 3,-0.1 0.236 122.7 -69.2 -75.4 14.4 38.6 23.8 78.2 72 195 A G X - 0 0 13 -3,-0.6 3,-1.1 -25,-0.1 -1,-0.2 -0.033 53.9 -77.5 110.9 144.4 38.6 27.6 78.1 73 196 A a T 3 S+ 0 0 29 1,-0.2 -1,-0.1 -26,-0.1 -2,-0.1 0.670 122.6 57.0 -50.0 -27.5 37.0 30.4 76.1 74 197 A R T 3 S+ 0 0 193 -3,-0.1 -1,-0.2 -5,-0.0 -2,-0.1 0.873 82.7 97.9 -75.4 -36.7 39.4 30.0 73.1 75 198 A D < - 0 0 40 -3,-1.1 -3,-0.1 -4,-0.1 0, 0.0 -0.240 51.8-171.1 -53.2 135.5 38.6 26.3 72.4 76 199 A H + 0 0 81 1,-0.1 -1,-0.1 -7,-0.0 -3,-0.0 0.447 51.4 105.9-110.2 -2.5 36.0 25.9 69.7 77 200 A S S S- 0 0 84 1,-0.0 2,-0.2 55,-0.0 -1,-0.1 0.908 86.8 -30.6 -39.1 -86.3 35.4 22.1 70.0 78 201 A H - 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