==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-NOV-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 01-OCT-00 1E8V . COMPND 2 MOLECULE: HEMAGGLUTININ-NEURAMINIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: NEWCASTLE DISEASE VIRUS; . AUTHOR S.CRENNELL,T.TAKIMOTO,A.PORTNER,G.TAYLOR . 893 2 12 12 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 30180.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 556 62.3 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 . 296 33.1 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 . 12 1.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 2 0.2 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 . 98 11.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 59 6.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 44 4.9 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 0 2 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 . 4 2 8 2 8 4 6 2 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 0 140 0, 0.0 3,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 41.8 8.7 21.3 14.4 2 125 A A - 0 0 62 1,-0.1 120,-0.0 119,-0.0 2,-0.0 -0.433 360.0 -90.3 -76.8 155.9 10.7 24.1 12.7 3 126 A P - 0 0 34 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.347 47.6-172.9 -65.3 145.0 12.5 26.7 14.8 4 127 A I - 0 0 89 -3,-0.1 57,-0.2 83,-0.1 56,-0.1 -0.999 29.1 -98.6-144.8 144.2 10.5 29.9 15.5 5 128 A H - 0 0 1 55,-0.8 84,-0.2 -2,-0.3 5,-0.1 -0.206 58.6 -83.4 -54.5 151.3 11.2 33.3 17.1 6 129 A D > - 0 0 39 82,-2.6 3,-2.4 1,-0.1 4,-0.5 -0.209 45.7-104.6 -55.5 145.9 10.1 33.6 20.7 7 130 A P G > S+ 0 0 104 0, 0.0 3,-1.1 0, 0.0 -1,-0.1 0.778 114.2 76.5 -45.2 -30.0 6.4 34.5 21.1 8 131 A D G 3 S+ 0 0 30 1,-0.2 405,-1.3 404,-0.1 404,-1.0 0.647 97.8 45.1 -59.4 -14.5 7.4 38.1 22.0 9 132 A F G X S+ 0 0 0 -3,-2.4 3,-3.3 402,-0.2 4,-0.3 0.609 76.8 124.8-104.9 -17.1 8.1 38.8 18.3 10 133 A I T < S+ 0 0 91 -3,-1.1 402,-0.1 -4,-0.5 50,-0.1 -0.221 84.0 17.3 -50.0 122.0 5.1 37.3 16.6 11 134 A G T 3 S+ 0 0 56 2,-0.1 -1,-0.3 48,-0.1 400,-0.1 0.267 112.5 82.0 95.2 -8.6 3.5 40.0 14.5 12 135 A G < + 0 0 4 -3,-3.3 398,-2.1 398,-0.1 2,-0.5 0.375 66.5 92.3-109.7 5.7 6.6 42.1 14.6 13 136 A I S S- 0 0 11 -4,-0.3 -2,-0.1 396,-0.2 396,-0.1 -0.879 99.9 -10.1-108.4 124.2 8.8 40.5 11.9 14 137 A G S S+ 0 0 20 -2,-0.5 271,-3.2 394,-0.5 2,-0.2 0.686 100.1 120.8 69.5 21.1 8.7 41.8 8.3 15 138 A K S S- 0 0 113 269,-0.2 2,-0.6 -3,-0.2 -1,-0.2 -0.614 80.1 -80.5-109.6 170.4 5.7 44.1 8.7 16 139 A E - 0 0 32 -2,-0.2 3,-0.2 1,-0.2 337,-0.1 -0.626 47.1-162.0 -70.1 115.9 5.3 47.8 8.2 17 140 A L + 0 0 18 -2,-0.6 2,-0.5 335,-0.4 337,-0.2 0.863 67.8 28.9 -71.4 -40.7 6.8 49.0 11.5 18 141 A I E -a 354 0A 23 335,-1.8 337,-2.7 -3,-0.1 2,-0.6 -0.941 59.8-176.0-132.7 111.9 5.4 52.6 11.7 19 142 A V E +a 355 0A 76 -2,-0.5 2,-0.3 335,-0.2 337,-0.2 -0.932 29.7 133.2-105.6 121.4 2.2 53.7 10.1 20 143 A D - 0 0 38 335,-1.9 -2,-0.1 -2,-0.6 5,-0.0 -0.860 30.6-178.1-168.0 131.5 1.7 57.4 10.5 21 144 A N S S+ 0 0 70 -2,-0.3 335,-0.1 335,-0.1 -1,-0.1 0.625 83.8 55.1-106.4 -23.0 0.6 60.1 8.0 22 145 A A S S+ 0 0 90 2,-0.1 -2,-0.1 0, 0.0 0, 0.0 0.992 88.8 75.1 -73.5 -68.6 0.8 63.0 10.4 23 146 A S S S- 0 0 27 1,-0.1 2,-0.3 2,-0.1 -3,-0.1 0.002 85.1-106.8 -51.8 148.7 4.3 63.1 11.9 24 147 A D > - 0 0 117 1,-0.1 3,-1.8 2,-0.0 4,-0.3 -0.608 27.0-128.9 -75.0 136.7 7.4 64.2 10.1 25 148 A V G > S+ 0 0 5 -2,-0.3 3,-1.7 1,-0.3 -1,-0.1 0.908 105.5 56.5 -55.0 -42.3 9.6 61.2 9.1 26 149 A T G 3 S+ 0 0 43 1,-0.3 364,-0.4 363,-0.1 -1,-0.3 0.373 84.6 78.9 -74.6 4.0 12.7 62.7 10.6 27 150 A S G < S+ 0 0 17 -3,-1.8 418,-1.4 362,-0.1 2,-0.5 0.648 82.5 79.8 -82.3 -15.1 11.1 63.2 14.1 28 151 A F E < +F 444 0B 17 -3,-1.7 416,-0.2 -4,-0.3 354,-0.2 -0.819 67.4 169.8 -90.8 125.1 11.9 59.5 14.4 29 152 A Y E -F 443 0B 40 414,-2.6 414,-3.3 -2,-0.5 2,-0.1 -0.958 34.3-102.1-138.9 155.0 15.5 58.9 15.3 30 153 A P E -F 442 0B 3 0, 0.0 412,-0.2 0, 0.0 3,-0.1 -0.452 33.8-129.3 -77.3 148.6 17.8 56.0 16.4 31 154 A S - 0 0 12 410,-1.8 2,-0.2 1,-0.2 3,-0.1 0.003 44.9 -66.8 -79.6-171.5 18.9 55.7 20.0 32 155 A A S S- 0 0 70 1,-0.1 409,-0.4 360,-0.1 -1,-0.2 -0.543 77.7 -75.1 -74.2 152.0 22.4 55.2 21.3 33 156 A F - 0 0 29 360,-0.2 2,-0.3 -2,-0.2 407,-0.2 -0.230 53.1-134.1 -52.9 130.6 23.8 51.8 20.1 34 157 A Q - 0 0 52 405,-4.0 2,-0.6 -3,-0.1 405,-0.4 -0.694 10.5-124.4 -91.1 144.0 22.3 49.0 22.2 35 158 A E + 0 0 12 -2,-0.3 2,-0.3 403,-0.1 483,-0.1 -0.782 46.0 147.7 -90.7 120.3 24.4 46.1 23.7 36 159 A H - 0 0 9 -2,-0.6 2,-0.2 401,-0.2 61,-0.1 -0.920 56.8 -58.5-144.8 170.6 23.2 42.6 22.6 37 160 A L - 0 0 9 59,-0.4 2,-0.9 -2,-0.3 61,-0.5 -0.322 52.1-136.3 -54.8 111.7 24.5 39.1 21.9 38 161 A N + 0 0 11 452,-0.3 -1,-0.1 -2,-0.2 452,-0.1 -0.658 27.5 177.2 -76.7 108.9 27.0 39.6 19.1 39 162 A F + 0 0 11 -2,-0.9 -1,-0.2 450,-0.1 -2,-0.1 0.397 52.1 92.0 -92.9 -2.1 26.1 36.7 16.7 40 163 A I S S- 0 0 5 450,-0.1 450,-0.3 395,-0.1 -1,-0.0 -0.872 78.8-125.2-101.9 112.5 28.7 37.7 14.0 41 164 A P - 0 0 11 0, 0.0 394,-0.4 0, 0.0 446,-0.1 -0.182 20.7-146.1 -53.9 136.3 32.1 36.0 14.4 42 165 A A - 0 0 22 446,-0.3 444,-0.3 1,-0.1 392,-0.1 -0.632 33.0 -83.5-100.2 161.0 35.1 38.3 14.5 43 166 A P - 0 0 2 0, 0.0 -1,-0.1 0, 0.0 387,-0.1 -0.267 29.7-158.8 -62.2 154.3 38.6 37.3 13.1 44 167 A T + 0 0 0 840,-0.1 2,-0.3 -3,-0.1 843,-0.3 0.313 69.5 54.3-114.6 1.4 40.9 35.2 15.3 45 168 A T S > S- 0 0 13 841,-0.1 3,-0.5 385,-0.1 437,-0.1 -0.913 90.1-104.7-132.2 165.4 44.2 36.1 13.7 46 169 A G T 3 S+ 0 0 56 -2,-0.3 385,-0.9 384,-0.3 383,-0.1 0.684 117.6 25.3 -63.4 -16.7 46.1 39.2 12.8 47 170 A S T 3 S+ 0 0 58 23,-0.2 -1,-0.2 383,-0.1 385,-0.2 0.377 81.1 129.7-131.1 3.8 45.3 38.9 9.1 48 171 A G < - 0 0 0 -3,-0.5 2,-0.6 383,-0.1 385,-0.4 -0.401 46.9-146.2 -62.0 136.3 42.1 37.0 8.8 49 172 A a E +G 69 0C 4 20,-3.3 20,-1.7 23,-0.2 2,-0.7 -0.876 18.8 179.9-114.6 106.1 39.6 38.8 6.5 50 173 A T E +G 68 0C 5 -2,-0.6 2,-0.3 383,-0.5 18,-0.2 -0.899 27.3 136.7-103.0 114.8 35.9 38.6 7.3 51 174 A R E +G 67 0C 47 16,-1.8 16,-2.9 -2,-0.7 384,-0.0 -0.897 27.3 60.1-147.3 177.1 33.8 40.6 4.8 52 175 A I E - 0 0 27 -2,-0.3 2,-0.2 14,-0.2 15,-0.2 0.984 61.0-159.6 63.7 68.5 30.7 40.7 2.6 53 176 A P E - 0 0 3 0, 0.0 2,-0.4 0, 0.0 13,-0.2 -0.508 10.2-173.2 -79.2 138.8 27.8 40.2 5.1 54 177 A S E +G 65 0C 0 11,-2.1 11,-1.7 -2,-0.2 2,-0.3 -0.999 8.4 174.8-134.9 132.8 24.4 39.1 3.9 55 178 A F E +G 64 0C 0 -2,-0.4 126,-0.5 9,-0.2 2,-0.3 -0.999 11.0 163.1-145.2 142.5 21.3 38.9 6.1 56 179 A D E -G 63 0C 13 7,-2.0 7,-2.8 -2,-0.3 2,-0.4 -0.971 14.0-161.9-155.5 140.4 17.6 38.2 5.8 57 180 A M E -G 62 0C 17 -2,-0.3 5,-0.3 5,-0.2 2,-0.1 -0.978 5.2-165.9-133.3 123.6 14.9 37.3 8.4 58 181 A S - 0 0 28 3,-2.6 -44,-0.1 -2,-0.4 62,-0.1 -0.267 47.7 -86.0 -90.7-176.1 11.5 35.7 7.8 59 182 A A S S+ 0 0 67 1,-0.2 -54,-0.3 60,-0.1 -48,-0.1 0.580 127.7 32.1 -70.5 -6.3 8.6 35.5 10.1 60 183 A T S S- 0 0 51 1,-0.4 -55,-0.8 -56,-0.1 2,-0.3 0.765 124.3 -3.1-118.4 -41.1 10.1 32.4 11.6 61 184 A H - 0 0 0 -57,-0.2 -3,-2.6 26,-0.1 -1,-0.4 -0.929 57.8-122.2-149.5 170.4 14.0 32.5 11.5 62 185 A Y E -GH 57 86C 0 24,-2.9 24,-2.1 -2,-0.3 2,-0.4 -0.849 13.9-153.7-118.4 157.7 17.0 34.6 10.4 63 186 A b E +GH 56 85C 0 -7,-2.8 -7,-2.0 -2,-0.3 2,-0.3 -0.990 14.0 175.5-132.7 137.2 19.9 33.8 8.1 64 187 A Y E +GH 55 84C 0 20,-2.2 20,-2.5 -2,-0.4 2,-0.3 -0.984 2.6 166.6-140.1 150.6 23.4 35.4 8.1 65 188 A T E +GH 54 83C 0 -11,-1.7 -11,-2.1 -2,-0.3 2,-0.3 -0.984 6.8 179.6-162.2 150.9 26.6 34.8 6.2 66 189 A H E - H 0 82C 3 16,-1.4 16,-2.5 -2,-0.3 2,-0.2 -0.988 29.3-109.5-152.2 155.2 30.0 36.3 5.4 67 190 A N E -GH 51 81C 6 -16,-2.9 -16,-1.8 -2,-0.3 2,-0.4 -0.576 27.0-159.7 -85.6 147.3 33.1 35.5 3.5 68 191 A V E -GH 50 80C 7 12,-2.7 12,-2.2 -18,-0.2 2,-0.4 -0.999 9.5-177.2-131.6 132.0 36.4 34.6 5.2 69 192 A I E -G 49 0C 11 -20,-1.7 -20,-3.3 -2,-0.4 10,-0.1 -0.997 18.0-148.2-128.3 125.6 40.0 34.8 3.7 70 193 A L S S+ 0 0 65 -2,-0.4 -23,-0.2 8,-0.3 -1,-0.1 0.880 88.8 34.3 -60.6 -47.4 42.9 33.6 5.7 71 194 A S S S- 0 0 48 1,-0.3 2,-0.3 -23,-0.1 -1,-0.2 0.788 121.5 -49.0 -85.6 -31.5 45.7 35.9 4.6 72 195 A G - 0 0 9 3,-0.1 3,-0.4 -23,-0.1 -1,-0.3 -0.903 51.9 -88.2 170.0 165.9 44.1 39.2 3.8 73 196 A a S S+ 0 0 34 -2,-0.3 -1,-0.1 1,-0.2 -3,-0.0 0.740 121.0 56.4 -67.5 -18.6 41.2 41.0 2.1 74 197 A R S S+ 0 0 168 -3,-0.1 -1,-0.2 -5,-0.0 2,-0.1 0.837 80.8 102.0 -80.2 -35.6 43.3 41.3 -1.1 75 198 A D + 0 0 36 -3,-0.4 -3,-0.1 1,-0.1 3,-0.0 -0.284 42.5 177.4 -56.2 126.5 44.0 37.5 -1.5 76 199 A H + 0 0 71 1,-0.1 -1,-0.1 -2,-0.1 3,-0.1 0.398 52.5 93.5-114.2 3.3 41.8 36.0 -4.2 77 200 A S S S- 0 0 95 1,-0.2 2,-0.3 57,-0.0 -1,-0.1 0.935 96.6 -17.2 -63.8 -51.3 43.0 32.4 -4.3 78 201 A H + 0 0 64 2,-0.0 -8,-0.3 33,-0.0 2,-0.3 -0.994 59.2 165.2-158.3 154.5 40.5 30.7 -1.9 79 202 A S - 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