==== 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 28-NOV-03 1USR . 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, . 893 2 11 11 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 30128.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 544 60.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 14 1.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 297 33.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 6 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 14 1.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 88 9.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 63 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 43 4.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 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 2 0 4 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 PARALLEL BRIDGES PER LADDER . 5 2 8 2 8 4 7 1 4 4 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 6 2 4 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 0 130 0, 0.0 3,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 119.1 103.3 49.6 26.2 2 125 A A - 0 0 63 1,-0.1 120,-0.0 119,-0.1 121,-0.0 -0.214 360.0 -95.3 -59.6 150.9 104.9 47.4 28.8 3 126 A P - 0 0 34 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.239 43.3-168.0 -65.9 156.9 107.8 49.0 30.8 4 127 A I - 0 0 87 -3,-0.1 57,-0.1 83,-0.0 56,-0.1 -0.996 25.7 -99.2-149.1 150.4 111.4 48.4 29.8 5 128 A H - 0 0 4 55,-0.4 84,-0.2 -2,-0.3 5,-0.1 -0.215 58.8 -81.0 -61.5 158.3 114.9 48.9 31.3 6 129 A D >> - 0 0 30 82,-2.9 3,-2.5 1,-0.1 4,-0.5 -0.213 46.2-102.7 -59.9 153.3 116.8 52.0 30.1 7 130 A P G >4 S+ 0 0 105 0, 0.0 3,-0.9 0, 0.0 -1,-0.1 0.771 117.2 69.8 -48.1 -33.2 118.5 51.8 26.7 8 131 A D G 34 S+ 0 0 36 1,-0.2 405,-0.8 404,-0.1 404,-0.5 0.700 100.4 48.5 -62.1 -18.0 121.9 51.3 28.4 9 132 A F G X4 S+ 0 0 1 -3,-2.5 3,-2.7 402,-0.2 -1,-0.2 0.604 76.4 122.5 -98.1 -15.3 120.8 47.8 29.6 10 133 A I T << S+ 0 0 87 -3,-0.9 402,-0.1 -4,-0.5 50,-0.1 -0.274 86.3 13.0 -53.8 122.5 119.4 46.5 26.3 11 134 A G T 3 S+ 0 0 47 48,-0.1 -1,-0.3 2,-0.1 400,-0.1 0.558 109.9 89.9 86.7 9.2 121.3 43.2 25.5 12 135 A G < + 0 0 2 -3,-2.7 398,-2.3 47,-0.1 2,-0.4 0.267 64.1 88.9-120.3 11.6 122.7 43.1 29.0 13 136 A I S S- 0 0 9 -4,-0.2 396,-0.1 396,-0.2 46,-0.1 -0.935 96.9 -5.3-116.2 132.2 120.1 41.1 30.8 14 137 A G S S+ 0 0 21 394,-0.5 271,-2.7 -2,-0.4 2,-0.2 0.755 98.2 118.1 64.0 30.0 120.0 37.3 31.1 15 138 A K S S- 0 0 103 269,-0.3 2,-0.4 -3,-0.1 -1,-0.2 -0.746 80.5 -79.9-120.4 167.5 122.9 36.5 28.9 16 139 A E - 0 0 33 -2,-0.2 3,-0.2 1,-0.2 337,-0.1 -0.573 48.0-165.0 -63.6 122.5 126.3 34.8 29.3 17 140 A L + 0 0 11 -2,-0.4 2,-0.5 336,-0.4 337,-0.2 0.917 65.6 26.7 -83.2 -45.0 128.2 37.7 30.9 18 141 A I E -a 354 0A 23 335,-2.2 337,-2.8 2,-0.1 2,-0.7 -0.965 60.1-172.7-126.6 118.5 131.8 36.6 30.6 19 142 A V E +a 355 0A 73 -2,-0.5 2,-0.3 335,-0.2 337,-0.2 -0.936 29.1 140.3-110.9 112.2 133.1 34.3 28.0 20 143 A D + 0 0 31 335,-1.6 -2,-0.1 -2,-0.7 5,-0.0 -0.991 25.8 170.1-151.0 146.8 136.7 33.4 28.6 21 144 A N S S+ 0 0 83 -2,-0.3 -1,-0.1 335,-0.1 4,-0.1 0.540 80.8 55.4-127.8 -29.2 138.8 30.2 28.3 22 145 A A S S+ 0 0 106 2,-0.1 2,-0.2 0, 0.0 -2,-0.0 0.683 96.1 74.7 -83.4 -19.5 142.3 31.5 28.8 23 146 A S S S- 0 0 24 1,-0.0 2,-0.3 2,-0.0 -3,-0.1 -0.613 85.7-110.6 -96.1 155.4 141.8 33.2 32.2 24 147 A D > - 0 0 121 -2,-0.2 3,-1.7 1,-0.1 4,-0.3 -0.640 24.7-131.8 -79.0 138.8 141.4 31.6 35.6 25 148 A V G > S+ 0 0 3 -2,-0.3 3,-1.7 1,-0.3 -1,-0.1 0.893 105.3 56.8 -58.9 -40.1 137.8 32.1 36.9 26 149 A T G 3 S+ 0 0 37 1,-0.3 364,-0.4 362,-0.1 -1,-0.3 0.405 85.0 78.2 -75.5 4.1 139.0 33.3 40.2 27 150 A S G < S+ 0 0 16 -3,-1.7 418,-3.4 362,-0.1 2,-0.4 0.624 87.2 75.2 -81.9 -13.0 141.0 36.1 38.6 28 151 A F E < +F 444 0B 18 -3,-1.7 354,-0.3 -4,-0.3 416,-0.2 -0.794 68.0 159.9 -96.0 139.3 137.6 37.7 38.4 29 152 A Y E -F 443 0B 34 414,-2.3 414,-3.7 -2,-0.4 2,-0.2 -0.979 39.3 -88.7-155.7 164.8 136.2 39.1 41.7 30 153 A P E -F 442 0B 0 0, 0.0 412,-0.2 0, 0.0 3,-0.1 -0.544 34.2-131.6 -82.9 144.9 133.6 41.5 43.2 31 154 A S - 0 0 12 410,-2.3 3,-0.1 -2,-0.2 412,-0.0 -0.159 47.9 -70.4 -76.6-179.8 134.4 45.1 43.9 32 155 A A S S- 0 0 68 1,-0.2 409,-0.4 408,-0.1 -1,-0.2 -0.310 73.3 -76.0 -66.4 160.9 133.5 46.6 47.3 33 156 A F - 0 0 28 360,-0.2 2,-0.3 407,-0.1 407,-0.2 -0.346 53.3-135.8 -62.0 141.7 129.8 47.0 47.8 34 157 A Q - 0 0 56 405,-3.1 2,-0.5 -3,-0.1 405,-0.3 -0.771 10.3-118.2-104.5 146.1 128.3 50.0 45.9 35 158 A E + 0 0 12 -2,-0.3 2,-0.3 403,-0.1 483,-0.1 -0.694 51.4 146.7 -82.8 123.4 125.8 52.6 47.1 36 159 A H - 0 0 10 -2,-0.5 2,-0.3 401,-0.2 61,-0.1 -0.962 57.4 -60.7-151.6 166.3 122.6 52.4 45.0 37 160 A L - 0 0 9 59,-0.4 2,-1.2 -2,-0.3 61,-0.5 -0.309 50.4-137.5 -54.4 109.3 118.9 52.9 45.3 38 161 A N - 0 0 11 452,-0.3 452,-0.2 -2,-0.3 -1,-0.1 -0.581 24.6-179.6 -74.5 99.5 117.7 50.4 47.9 39 162 A F + 0 0 10 -2,-1.2 -1,-0.2 450,-0.1 -2,-0.1 0.422 52.9 92.7 -81.6 3.1 114.5 49.0 46.3 40 163 A I S S- 0 0 6 450,-0.1 450,-0.3 395,-0.1 395,-0.0 -0.860 75.7-127.4-107.0 116.8 113.8 46.7 49.2 41 164 A P - 0 0 10 0, 0.0 394,-0.3 0, 0.0 446,-0.1 -0.284 21.0-152.5 -59.4 132.7 111.6 47.8 52.1 42 165 A A - 0 0 25 446,-0.3 444,-0.3 444,-0.2 446,-0.1 -0.604 34.5 -78.3 -99.4 164.1 113.0 47.3 55.6 43 166 A P - 0 0 2 0, 0.0 -1,-0.2 0, 0.0 440,-0.0 -0.187 28.8-159.3 -60.9 156.9 110.9 46.8 58.8 44 167 A T S S+ 0 0 0 840,-0.1 843,-0.3 -3,-0.1 2,-0.3 0.294 71.7 50.2-119.0 5.3 109.2 49.8 60.4 45 168 A T S S- 0 0 12 841,-0.1 437,-0.1 436,-0.0 797,-0.1 -0.890 87.4-108.0-137.3 167.4 108.7 48.3 63.9 46 169 A G S S+ 0 0 55 -2,-0.3 385,-1.0 384,-0.3 383,-0.1 0.754 116.7 33.7 -70.2 -24.4 110.8 46.5 66.5 47 170 A S S S+ 0 0 59 23,-0.1 385,-0.3 383,-0.1 -1,-0.2 0.563 83.0 128.4-107.6 -11.5 109.2 43.1 65.9 48 171 A G - 0 0 0 383,-0.1 2,-0.7 23,-0.1 385,-0.4 -0.185 46.0-151.2 -50.3 129.8 108.5 43.2 62.2 49 172 A a E +G 69 0C 3 20,-3.2 20,-2.1 23,-0.2 2,-0.7 -0.884 16.2 179.0-111.2 104.4 109.9 40.1 60.4 50 173 A T E +G 68 0C 3 -2,-0.7 2,-0.3 383,-0.4 18,-0.2 -0.912 28.2 136.2-104.0 113.8 110.8 40.7 56.7 51 174 A R E +G 67 0C 47 16,-2.1 16,-3.1 -2,-0.7 384,-0.0 -0.895 26.4 57.4-147.1 176.4 112.2 37.4 55.2 52 175 A I E - 0 0 29 -2,-0.3 15,-0.2 14,-0.2 2,-0.2 0.992 61.2-160.1 63.0 69.7 112.2 35.0 52.3 53 176 A P E - 0 0 4 0, 0.0 2,-0.4 0, 0.0 13,-0.2 -0.531 9.9-172.5 -81.6 146.6 113.3 37.2 49.3 54 177 A S E +G 65 0C 0 11,-2.0 11,-1.8 -2,-0.2 2,-0.3 -0.998 7.2 177.1-137.2 136.5 112.6 36.1 45.8 55 178 A F E +G 64 0C 0 -2,-0.4 126,-0.5 9,-0.2 2,-0.3 -0.998 10.4 164.7-147.3 140.8 113.9 37.8 42.7 56 179 A D E -G 63 0C 14 7,-2.0 7,-3.0 -2,-0.3 2,-0.4 -0.981 12.2-164.5-152.8 140.7 113.8 37.4 38.9 57 180 A M E -G 62 0C 16 -2,-0.3 5,-0.3 5,-0.3 2,-0.2 -0.993 2.9-168.9-135.0 131.0 114.6 39.7 36.0 58 181 A S - 0 0 29 3,-2.9 -44,-0.1 -2,-0.4 62,-0.1 -0.443 49.4 -84.4-103.7-178.6 113.8 39.5 32.3 59 182 A A S S+ 0 0 68 1,-0.2 -54,-0.3 -2,-0.2 -48,-0.1 0.522 128.2 31.8 -66.4 -3.7 115.0 41.5 29.4 60 183 A T S S- 0 0 47 1,-0.4 -55,-0.4 -56,-0.1 2,-0.3 0.721 123.9 -0.5-121.7 -39.6 112.3 44.0 30.2 61 184 A H - 0 0 0 -57,-0.1 -3,-2.9 26,-0.1 -1,-0.4 -0.955 56.7-125.3-150.1 167.1 111.6 44.2 33.9 62 185 A Y E -GH 57 86C 0 24,-2.8 24,-2.1 -2,-0.3 2,-0.4 -0.831 16.8-154.0-116.1 156.4 112.5 42.8 37.3 63 186 A b E +GH 56 85C 0 -7,-3.0 -7,-2.0 -2,-0.3 2,-0.3 -0.985 13.9 175.0-131.1 141.7 110.3 41.2 40.0 64 187 A Y E +GH 55 84C 0 20,-2.3 20,-2.6 -2,-0.4 2,-0.3 -0.997 3.0 166.1-146.7 148.8 110.8 41.0 43.7 65 188 A T E +GH 54 83C 0 -11,-1.8 -11,-2.0 -2,-0.3 2,-0.3 -0.989 5.1 178.4-159.1 152.4 108.9 39.8 46.8 66 189 A H E - H 0 82C 2 16,-1.4 16,-2.6 -2,-0.3 2,-0.2 -0.979 30.0-107.7-153.0 158.9 109.3 38.9 50.4 67 190 A N E -GH 51 81C 7 -16,-3.1 -16,-2.1 -2,-0.3 2,-0.4 -0.628 25.3-158.0 -91.1 148.3 107.2 37.8 53.4 68 191 A V E -GH 50 80C 5 12,-2.7 12,-2.0 -2,-0.2 2,-0.5 -0.988 8.6-175.6-131.0 125.4 106.2 40.0 56.3 69 192 A I E -G 49 0C 9 -20,-2.1 -20,-3.2 -2,-0.4 10,-0.1 -0.983 15.1-152.0-119.9 127.4 105.2 38.8 59.8 70 193 A L S S+ 0 0 65 -2,-0.5 -1,-0.1 8,-0.2 -23,-0.1 0.921 88.6 38.9 -64.1 -50.1 104.0 41.4 62.3 71 194 A S S S- 0 0 48 1,-0.3 2,-0.2 -23,-0.1 -1,-0.2 0.662 123.4 -64.6 -80.6 -18.1 104.9 39.8 65.6 72 195 A G > - 0 0 9 3,-0.1 3,-0.9 -23,-0.1 -1,-0.3 -0.818 52.8 -76.7 150.6 170.6 108.2 38.2 64.8 73 196 A a T 3 S+ 0 0 34 -2,-0.2 -1,-0.1 1,-0.2 -3,-0.0 0.706 121.6 57.8 -72.8 -19.5 109.8 35.5 62.6 74 197 A R T 3 S+ 0 0 174 -3,-0.1 2,-0.4 -5,-0.1 -1,-0.2 0.548 82.4 98.1 -87.5 -9.3 108.6 32.7 64.8 75 198 A D < + 0 0 35 -3,-0.9 -3,-0.1 1,-0.1 -4,-0.0 -0.665 43.3 176.0 -81.4 132.6 104.9 33.5 64.5 76 199 A H + 0 0 70 -2,-0.4 -1,-0.1 1,-0.1 3,-0.1 0.253 51.2 99.2-120.0 10.8 103.1 31.4 61.9 77 200 A S S S- 0 0 89 1,-0.2 2,-0.3 55,-0.0 -1,-0.1 0.954 94.8 -21.0 -63.6 -53.9 99.5 32.7 62.4 78 201 A H + 0 0 65 32,-0.0 2,-0.3 2,-0.0 -8,-0.2 -0.973 61.1 165.2-153.8 165.0 99.3 35.2 59.5 79 202 A S - 0 0 4 -2,-0.3 33,-0.3 31,-0.2 2,-0.3 -0.972 18.4-138.6-169.2 172.9 101.5 37.2 57.2 80 203 A H E -H 68 0C 16 -12,-2.0 -12,-2.7 -2,-0.3 2,-0.4 -0.875 18.1-119.8-139.0 170.6 101.5 39.3 54.0 81 204 A Q E -HI 67 106C 2 25,-2.1 25,-3.4 -2,-0.3 2,-0.5 -0.895 7.9-142.7-118.0 145.2 103.8 39.7 51.0 82 205 A Y E -HI 66 105C 7 -16,-2.6 -16,-1.4 -2,-0.4 2,-0.4 -0.917 26.4-169.3 -99.5 131.9 105.5 42.8 49.6 83 206 A L E -HI 65 104C 0 21,-2.9 21,-2.7 -2,-0.5 2,-0.4 -0.969 7.8-179.2-127.4 138.8 105.6 42.7 45.8 84 207 A A E -HI 64 103C 0 -20,-2.6 -20,-2.3 -2,-0.4 2,-0.4 -0.998 12.7-173.9-141.9 140.7 107.5 44.9 43.4 85 208 A L E +HI 63 102C 0 17,-2.0 16,-2.6 -2,-0.4 17,-2.2 -0.999 31.1 136.3-128.4 128.1 107.8 45.2 39.6 86 209 A G E -HI 62 100C 0 -24,-2.1 -24,-2.8 -2,-0.4 2,-0.3 -0.869 39.2-117.6-155.8-170.9 110.3 47.6 38.2 87 210 A V E - I 0 99C 0 12,-2.4 12,-2.9 -2,-0.3 2,-0.3 -0.953 28.1-106.8-140.0 158.0 113.0 48.3 35.6 88 211 A L E + I 0 98C 0 -2,-0.3 -82,-2.9 10,-0.2 2,-0.3 -0.647 42.0 169.4 -85.6 141.6 116.7 49.2 35.6 89 212 A R E - 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