==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=2-SEP-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 06-JUL-12 4FZH . COMPND 2 MOLECULE: HEMAGGLUTININ-NEURAMINIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: NEWCASTLE DISEASE VIRUS; . AUTHOR P.YUAN,R.G.PATERSON,G.P.LESER,R.A.LAMB,T.S.JARDETZKY . 1944 8 26 24 2 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 69554.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1136 58.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 24 1.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 567 29.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 5 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 12 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 25 1.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 2 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 . 216 11.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 122 6.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 105 5.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 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 3 4 4 1 1 1 3 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 6 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 9 13 16 4 11 10 10 5 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 . 9 0 14 7 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 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 0 120 0, 0.0 153,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -18.8 -26.8 27.2 32.1 2 125 A A - 0 0 48 1,-0.1 120,-0.0 152,-0.0 121,-0.0 -0.604 360.0-146.0 -88.4 144.7 -28.0 24.4 29.7 3 126 A P + 0 0 54 0, 0.0 -1,-0.1 0, 0.0 84,-0.0 0.713 36.9 177.7 -71.5 -29.4 -30.5 24.7 26.8 4 127 A I - 0 0 78 2,-0.0 2,-0.2 3,-0.0 56,-0.1 -0.144 31.1 -79.4 52.0-143.4 -31.9 21.2 27.4 5 128 A H - 0 0 16 54,-0.2 84,-0.2 82,-0.1 56,-0.1 -0.662 54.6 -64.1-136.8-175.1 -34.8 20.1 25.2 6 129 A D >> - 0 0 29 82,-1.7 3,-1.7 -2,-0.2 4,-0.8 -0.573 51.4-113.5 -76.5 146.4 -38.5 20.5 25.0 7 130 A P T 34 S+ 0 0 93 0, 0.0 3,-0.2 0, 0.0 -1,-0.1 0.703 111.4 65.2 -56.0 -22.5 -40.4 19.1 28.0 8 131 A D T 34 S+ 0 0 35 1,-0.2 405,-1.1 404,-0.1 404,-0.6 0.819 103.2 45.7 -73.0 -28.7 -42.1 16.4 25.8 9 132 A Y T X> S+ 0 0 0 -3,-1.7 3,-2.0 402,-0.2 4,-0.5 0.698 83.2 118.6 -83.1 -21.3 -38.8 14.7 25.0 10 133 A I T 3< S+ 0 0 94 -4,-0.8 402,-0.1 1,-0.2 403,-0.1 -0.255 76.4 20.3 -63.9 124.6 -37.4 14.7 28.5 11 134 A G T 34 S+ 0 0 46 48,-0.2 -1,-0.2 -2,-0.1 400,-0.1 0.103 108.0 77.0 107.4 -19.1 -36.8 11.1 29.9 12 135 A G T X4 S+ 0 0 4 -3,-2.0 398,-0.7 398,-0.3 3,-0.6 0.672 71.2 95.2 -95.6 -19.7 -36.6 9.3 26.6 13 136 A I T 3< S+ 0 0 5 -4,-0.5 396,-0.1 1,-0.2 3,-0.1 -0.407 91.2 5.3 -75.1 148.0 -33.2 10.3 25.4 14 137 A G T 3 S+ 0 0 28 394,-0.3 271,-0.8 1,-0.2 2,-0.3 0.855 105.6 105.1 51.9 45.2 -30.1 8.1 26.0 15 138 A K S < S- 0 0 93 -3,-0.6 2,-0.5 269,-0.2 -1,-0.2 -0.866 82.1 -72.4-141.1 178.6 -32.0 5.2 27.5 16 139 A E - 0 0 46 -2,-0.3 3,-0.1 1,-0.2 337,-0.1 -0.646 41.3-168.0 -77.0 123.0 -33.2 1.7 26.8 17 140 A L + 0 0 10 336,-0.7 2,-0.4 -2,-0.5 337,-0.2 0.888 63.1 24.8 -82.0 -42.7 -36.1 2.0 24.3 18 141 A I E +a 354 0A 20 335,-1.6 337,-3.7 2,-0.0 2,-0.4 -0.970 50.9 173.2-136.1 121.9 -37.6 -1.5 24.3 19 142 A V E +a 355 0A 58 -2,-0.4 2,-0.3 335,-0.2 337,-0.1 -0.868 23.3 136.2-128.3 107.6 -37.7 -4.4 26.7 20 143 A D - 0 0 62 335,-0.6 -2,-0.0 -2,-0.4 337,-0.0 -0.957 25.1-177.8-141.7 121.2 -39.9 -7.4 25.9 21 144 A D S S+ 0 0 83 -2,-0.3 -1,-0.1 1,-0.1 4,-0.1 0.644 90.3 56.3 -86.2 -15.9 -38.7 -11.0 26.4 22 145 A A S S+ 0 0 83 2,-0.1 -1,-0.1 0, 0.0 2,-0.1 0.863 95.0 71.9 -81.5 -42.6 -42.0 -12.1 25.0 23 146 A S S S- 0 0 11 1,-0.1 2,-0.3 2,-0.0 -3,-0.1 -0.361 87.0-112.8 -75.3 155.6 -41.9 -10.3 21.7 24 147 A D > - 0 0 114 1,-0.1 3,-1.9 -2,-0.1 4,-0.3 -0.691 21.3-126.5 -86.7 142.6 -39.6 -11.3 18.8 25 148 A V G > S+ 0 0 10 -2,-0.3 3,-1.8 1,-0.3 -1,-0.1 0.938 109.8 52.7 -53.4 -45.9 -36.9 -8.9 18.0 26 149 A T G 3 S+ 0 0 47 1,-0.3 364,-0.5 362,-0.1 -1,-0.3 0.337 87.0 83.0 -80.9 5.4 -37.9 -8.8 14.4 27 150 A S G < S+ 0 0 15 -3,-1.9 418,-3.2 362,-0.1 2,-0.5 0.611 79.6 78.3 -77.3 -16.2 -41.4 -8.0 15.3 28 151 A F E < +F 444 0B 23 -3,-1.8 354,-0.3 -4,-0.3 416,-0.2 -0.829 65.5 173.2 -95.8 131.7 -40.3 -4.3 15.6 29 152 A Y E -F 443 0B 34 414,-2.4 414,-2.5 -2,-0.5 2,-0.2 -0.960 34.1 -99.0-141.3 156.2 -39.9 -2.4 12.3 30 153 A P E -F 442 0B 0 0, 0.0 412,-0.2 0, 0.0 3,-0.1 -0.465 36.3-132.3 -70.1 140.4 -39.2 1.0 11.0 31 154 A S - 0 0 8 410,-2.9 2,-0.2 1,-0.2 3,-0.1 -0.029 43.4 -72.3 -70.7-175.9 -42.2 3.1 9.8 32 155 A A S S- 0 0 36 1,-0.1 409,-0.4 408,-0.1 -1,-0.2 -0.536 73.9 -75.5 -72.7 155.2 -42.1 4.8 6.4 33 156 A F - 0 0 28 -2,-0.2 2,-0.2 360,-0.2 407,-0.2 -0.234 56.3-129.3 -61.6 143.5 -39.8 7.9 6.5 34 157 A Q - 0 0 52 405,-3.6 2,-0.6 -3,-0.1 405,-0.5 -0.625 9.3-113.4-105.0 149.4 -41.2 10.8 8.3 35 158 A E + 0 0 24 -2,-0.2 2,-0.3 497,-0.1 61,-0.1 -0.677 50.8 145.1 -79.6 119.3 -41.6 14.5 7.5 36 159 A H - 0 0 8 -2,-0.6 2,-0.5 59,-0.0 497,-0.2 -0.971 54.6 -88.9-150.3 164.6 -39.5 16.8 9.6 37 160 A L - 0 0 24 -2,-0.3 61,-0.7 59,-0.2 2,-0.4 -0.646 47.9-125.2 -81.2 120.8 -37.5 20.1 9.3 38 161 A N - 0 0 12 -2,-0.5 492,-0.2 492,-0.3 -1,-0.1 -0.505 26.0-176.6 -79.8 124.1 -34.0 19.3 8.2 39 162 A F + 0 0 15 -2,-0.4 -1,-0.1 490,-0.1 397,-0.0 0.479 59.6 90.2 -96.6 -4.7 -31.2 20.7 10.4 40 163 A I S S- 0 0 2 490,-0.2 490,-0.2 397,-0.1 -2,-0.1 -0.846 79.5-125.1 -98.1 115.9 -28.3 19.5 8.2 41 164 A P - 0 0 21 0, 0.0 394,-0.2 0, 0.0 486,-0.1 -0.135 20.7-139.9 -54.8 153.2 -27.2 22.1 5.7 42 165 A A - 0 0 28 486,-0.4 484,-0.4 1,-0.2 486,-0.1 -0.816 32.5 -76.5-116.6 159.1 -27.1 21.2 2.0 43 166 A P + 0 0 12 0, 0.0 -1,-0.2 0, 0.0 3,-0.1 0.141 32.4 177.0 -55.8 159.7 -24.5 22.2 -0.5 44 167 A T + 0 0 4 386,-0.1 479,-0.1 1,-0.1 481,-0.1 0.505 61.8 82.3-121.5 -57.9 -24.0 25.4 -2.4 45 168 A T - 0 0 13 479,-0.2 -1,-0.1 1,-0.2 477,-0.1 -0.270 65.9-149.9 -49.6 132.2 -20.8 24.8 -4.4 46 169 A G S S+ 0 0 19 475,-0.1 902,-0.5 -3,-0.1 385,-0.3 0.041 89.6 49.7 -90.3 23.9 -21.5 23.0 -7.6 47 170 A S S S+ 0 0 66 1,-0.3 24,-0.2 383,-0.2 23,-0.1 0.587 96.1 45.7-122.4 -79.3 -18.0 21.5 -7.3 48 171 A G S S- 0 0 0 22,-0.9 -1,-0.3 1,-0.1 25,-0.2 -0.222 72.2-125.7 -74.5 162.2 -16.8 19.9 -4.0 49 172 A a - 0 0 1 23,-0.9 20,-1.5 383,-0.1 2,-0.3 -0.359 6.2-133.0 -97.5 177.5 -18.8 17.4 -2.0 50 173 A T E +G 68 0C 8 383,-0.7 385,-0.3 18,-0.2 18,-0.2 -0.911 41.1 150.0-135.7 117.0 -19.8 17.3 1.7 51 174 A R E +G 67 0C 3 16,-1.0 16,-1.3 -2,-0.3 384,-0.0 -0.591 25.9 55.4-130.7 178.0 -19.2 14.0 3.6 52 175 A I E - 0 0 12 14,-0.2 15,-0.7 -2,-0.2 63,-0.2 0.928 55.4-165.5 59.2 70.3 -18.5 12.2 6.8 53 176 A P E -G 66 0C 3 0, 0.0 2,-0.4 0, 0.0 13,-0.2 -0.527 7.3-164.9 -82.1 151.4 -21.1 13.1 9.5 54 177 A S E -G 65 0C 0 11,-1.7 11,-1.4 -2,-0.2 2,-0.4 -0.997 9.2-177.4-139.5 136.1 -20.8 12.4 13.3 55 178 A F E +G 64 0C 0 -2,-0.4 2,-0.3 9,-0.2 9,-0.2 -0.993 10.5 174.7-139.9 132.8 -23.7 12.6 15.8 56 179 A D E -G 63 0C 17 7,-2.1 7,-1.3 -2,-0.4 2,-0.7 -0.976 19.2-145.0-141.9 130.9 -24.1 12.2 19.6 57 180 A M E -G 62 0C 20 -2,-0.3 5,-0.2 5,-0.2 2,-0.1 -0.798 12.4-162.3-104.9 109.5 -27.3 12.8 21.7 58 181 A S - 0 0 21 3,-2.7 -44,-0.1 -2,-0.7 62,-0.1 -0.368 35.5-114.1 -76.0 161.0 -27.1 14.2 25.2 59 182 A A S S+ 0 0 73 60,-0.1 -48,-0.2 1,-0.1 -54,-0.2 0.614 122.1 30.9 -68.2 -12.3 -29.8 14.0 27.7 60 183 A T S S- 0 0 34 1,-0.3 28,-0.3 -56,-0.1 2,-0.2 0.773 130.3 -9.4-103.4 -65.6 -29.8 17.7 27.2 61 184 A H - 0 0 0 26,-0.1 -3,-2.7 59,-0.1 2,-0.3 -0.495 60.6-114.2-125.8-173.7 -28.7 18.5 23.7 62 185 A Y E -GH 57 86C 0 24,-2.5 24,-1.1 -5,-0.2 2,-0.4 -0.864 14.2-154.0-123.5 164.0 -27.3 17.1 20.5 63 186 A b E +GH 56 85C 0 -7,-1.3 -7,-2.1 -2,-0.3 2,-0.3 -0.954 18.9 166.4-140.6 121.8 -24.1 17.5 18.6 64 187 A Y E +GH 55 84C 1 20,-1.8 20,-2.9 -2,-0.4 2,-0.3 -0.946 2.7 168.2-132.4 152.9 -23.6 17.0 14.8 65 188 A T E -GH 54 83C 0 -11,-1.4 -11,-1.7 -2,-0.3 2,-0.3 -0.994 10.9-167.7-157.0 158.9 -20.9 17.8 12.3 66 189 A H E -GH 53 82C 7 16,-1.8 16,-2.0 -2,-0.3 -14,-0.2 -0.976 21.0-124.9-151.4 144.9 -19.7 17.2 8.8 67 190 A N E -GH 51 81C 5 -16,-1.3 -16,-1.0 -15,-0.7 2,-0.4 -0.535 21.7-154.5 -79.1 150.8 -16.6 17.8 6.6 68 191 A V E -GH 50 80C 18 12,-1.9 12,-1.7 -18,-0.2 2,-0.6 -0.954 7.6-144.3-132.5 116.9 -16.8 19.7 3.3 69 192 A I E - H 0 79C 5 -20,-1.5 10,-0.2 -2,-0.4 3,-0.1 -0.663 7.1-154.4 -80.8 121.4 -14.4 19.3 0.4 70 193 A L S S+ 0 0 41 8,-2.3 -22,-0.9 -2,-0.6 2,-0.4 0.869 80.8 14.7 -65.4 -37.5 -13.9 22.7 -1.3 71 194 A S S S- 0 0 80 7,-0.4 -1,-0.2 -24,-0.2 3,-0.1 -0.995 123.5 -9.6-139.2 133.3 -12.9 21.1 -4.6 72 195 A G S S- 0 0 38 -2,-0.4 -23,-0.9 1,-0.2 -1,-0.1 0.030 76.1-101.6 69.3 169.1 -13.4 17.5 -5.8 73 196 A a S S+ 0 0 24 -25,-0.2 -1,-0.2 -3,-0.1 -25,-0.0 0.385 73.1 135.2-105.1 -0.5 -14.4 14.8 -3.3 74 197 A R > - 0 0 190 -3,-0.1 3,-1.0 1,-0.1 -3,-0.1 -0.233 60.2-124.2 -58.2 137.7 -10.9 13.4 -2.8 75 198 A D T 3 S+ 0 0 42 1,-0.2 -1,-0.1 -6,-0.0 412,-0.0 0.904 102.4 48.4 -45.2 -67.4 -10.0 12.8 0.8 76 199 A H T 3 S+ 0 0 79 -7,-0.0 -1,-0.2 37,-0.0 3,-0.1 0.705 87.4 112.4 -52.2 -26.8 -6.8 14.8 1.2 77 200 A S S < S- 0 0 32 -3,-1.0 -5,-0.0 1,-0.1 -7,-0.0 0.017 83.7 -74.2 -63.0 157.5 -8.2 18.0 -0.3 78 201 A H - 0 0 68 -9,-0.1 -8,-2.3 1,-0.1 2,-0.4 -0.182 58.3-169.8 -56.7 132.5 -8.8 21.2 1.6 79 202 A S E -H 69 0C 2 -10,-0.2 33,-1.0 -3,-0.1 -10,-0.2 -0.968 20.3-154.0-139.8 123.9 -11.9 20.9 3.8 80 203 A H E -H 68 0C 16 -12,-1.7 -12,-1.9 -2,-0.4 2,-0.3 -0.249 20.0-142.0 -74.5 174.6 -14.0 23.2 6.0 81 204 A Q E -HI 67 106C 2 25,-1.4 25,-2.9 -14,-0.2 2,-0.5 -0.960 7.9-160.4-143.5 127.2 -16.0 21.8 8.9 82 205 A Y E -HI 66 105C 15 -16,-2.0 -16,-1.8 -2,-0.3 2,-0.4 -0.933 13.7-176.7-105.7 126.2 -19.5 22.8 10.1 83 206 A L E -HI 65 104C 0 21,-2.2 21,-2.0 -2,-0.5 2,-0.3 -0.975 3.7-177.8-120.8 135.2 -20.3 21.9 13.7 84 207 A A E -HI 64 103C 1 -20,-2.9 -20,-1.8 -2,-0.4 2,-0.4 -0.949 17.8-158.7-132.9 156.2 -23.7 22.5 15.2 85 208 A L E +HI 63 102C 1 17,-2.0 17,-2.0 -2,-0.3 16,-1.6 -0.999 31.0 146.3-130.5 135.2 -25.4 22.1 18.6 86 209 A G E -HI 62 100C 0 -24,-1.1 -24,-2.5 -2,-0.4 2,-0.3 -0.767 30.7-123.1-156.4-169.8 -29.1 21.9 18.8 87 210 A V E - 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0 0 62 -16,-1.6 2,-0.3 -2,-0.7 -15,-0.2 0.860 68.7 -2.5 -81.7 -38.5 -29.3 26.5 18.7 102 225 A H E -I 85 0C 83 -17,-2.0 -17,-2.0 50,-0.0 2,-0.3 -0.992 64.8-169.5-151.4 153.9 -25.8 27.7 17.6 103 226 A S E -I 84 0C 46 -2,-0.3 2,-0.4 -19,-0.2 -19,-0.2 -0.989 11.0-161.1-146.3 152.8 -23.3 26.9 14.9 104 227 A I E -I 83 0C 49 -21,-2.0 -21,-2.2 -2,-0.3 2,-0.6 -0.995 7.6-159.4-134.4 129.3 -19.7 27.6 13.9 105 228 A N E -I 82 0C 38 -2,-0.4 2,-0.9 -23,-0.2 475,-0.3 -0.912 11.1-152.2-109.2 109.8 -18.4 27.2 10.3 106 229 A L E +I 81 0C 12 -25,-2.9 -25,-1.4 -2,-0.6 -2,-0.0 -0.706 29.8 157.6 -91.9 106.5 -14.6 26.7 10.2 107 230 A D + 0 0 13 -2,-0.9 -1,-0.2 -27,-0.2 -27,-0.1 0.290 35.0 125.1-101.3 4.3 -13.3 28.0 6.9 108 231 A D S S- 0 0 45 1,-0.1 -2,-0.0 2,-0.0 473,-0.0 0.201 76.6 -94.6 -70.2-175.4 -9.7 28.6 8.1 109 232 A T S S+ 0 0 124 2,-0.1 2,-0.3 -31,-0.0 -30,-0.1 0.743 93.5 95.5 -75.3 -24.9 -6.4 27.3 6.8 110 233 A Q S S- 0 0 76 1,-0.1 2,-0.6 -32,-0.1 22,-0.1 -0.509 74.0-131.9 -69.7 131.3 -6.1 24.3 9.1 111 234 A N - 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