==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=18-SEP-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 21-JUL-11 3T1E . COMPND 2 MOLECULE: HEMAGGLUTININ-NEURAMINIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: NEWCASTLE DISEASE VIRUS; . AUTHOR P.YUAN,K.SWANSON,G.P.LESER,R.G.PATERSON,R.A.LAMB,T.S.JARDETZ . 966 4 12 12 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 37416.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 607 62.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 18 1.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 306 31.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 10 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 10 1.0 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 10.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 74 7.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 79 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 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 4 2 0 0 0 0 1 1 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 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 0 0 0 PARALLEL BRIDGES PER LADDER . 12 4 5 7 4 6 6 0 5 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 . 3 1 4 2 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 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 1 123 A C 0 0 116 0, 0.0 2,-0.1 0, 0.0 967,-0.0 0.000 360.0 360.0 360.0 163.9 -19.7 -38.9 -3.7 2 124 A G - 0 0 28 966,-0.1 964,-0.0 964,-0.1 99,-0.0 -0.055 360.0 -79.0 106.4 152.0 -22.6 -41.1 -5.1 3 125 A A - 0 0 14 2,-0.1 2,-2.8 1,-0.1 963,-0.1 -0.742 29.9-133.9 -96.1 124.7 -26.0 -42.0 -3.8 4 126 A P S S+ 0 0 1 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.298 73.0 100.9 -74.2 56.8 -26.4 -44.8 -1.2 5 127 A V S S- 0 0 15 -2,-2.8 56,-0.1 56,-0.0 -2,-0.1 -0.980 78.0-107.6-142.0 132.4 -29.3 -46.6 -3.1 6 128 A H - 0 0 16 54,-0.8 83,-0.2 -2,-0.3 5,-0.1 -0.235 49.9 -91.5 -52.5 139.2 -29.1 -49.7 -5.3 7 129 A D > - 0 0 9 81,-2.1 3,-2.7 1,-0.2 4,-0.3 -0.189 40.2-110.4 -49.4 143.8 -29.6 -49.0 -9.0 8 130 A P G > S+ 0 0 58 0, 0.0 3,-1.9 0, 0.0 -1,-0.2 0.736 112.8 80.6 -54.8 -23.8 -33.3 -49.2 -9.8 9 131 A D G 3 S+ 0 0 54 1,-0.3 403,-1.8 403,-0.1 404,-1.2 0.781 97.1 45.2 -51.3 -28.0 -32.4 -52.4 -11.8 10 132 A Y G X> S+ 0 0 3 -3,-2.7 3,-3.8 401,-0.2 4,-0.6 0.564 79.7 126.9 -93.3 -9.9 -32.5 -54.0 -8.3 11 133 A I T <4 S+ 0 0 17 -3,-1.9 401,-0.1 -4,-0.3 944,-0.1 -0.283 86.4 12.3 -58.4 122.9 -35.7 -52.4 -7.1 12 134 A G T 34 S+ 0 0 28 2,-0.2 -1,-0.3 -2,-0.1 -2,-0.1 0.351 115.9 84.1 89.7 -4.5 -37.9 -55.3 -5.9 13 135 A G T <4 + 0 0 3 -3,-3.8 397,-1.7 1,-0.1 2,-0.6 0.580 67.5 83.0-104.7 -12.3 -34.9 -57.7 -6.1 14 136 A I S < S- 0 0 24 -4,-0.6 -2,-0.2 395,-0.2 395,-0.1 -0.857 96.9 -0.2-108.8 118.2 -33.1 -57.3 -2.8 15 137 A G S S+ 0 0 32 -2,-0.6 270,-2.2 393,-0.4 2,-0.2 0.688 96.2 110.2 92.6 22.6 -34.1 -59.0 0.4 16 138 A K S S- 0 0 41 -3,-0.3 2,-0.5 268,-0.2 -1,-0.3 -0.657 81.6 -74.5-120.8 176.9 -37.1 -61.1 -0.6 17 139 A E - 0 0 34 -2,-0.2 3,-0.1 1,-0.2 336,-0.1 -0.632 52.4-166.5 -70.2 120.2 -38.1 -64.8 -1.0 18 140 A L + 0 0 19 -2,-0.5 2,-0.6 335,-0.5 -1,-0.2 0.992 61.8 21.5 -83.1 -66.8 -36.4 -65.4 -4.4 19 141 A I E -a 354 0A 31 334,-1.2 336,-2.8 2,-0.0 2,-0.5 -0.925 66.5-176.1-106.4 121.0 -37.6 -68.6 -5.9 20 142 A V E +a 355 0A 70 -2,-0.6 2,-0.3 334,-0.2 336,-0.2 -0.926 21.6 135.2-120.7 109.8 -41.0 -69.9 -4.8 21 143 A D - 0 0 23 334,-0.8 5,-0.1 -2,-0.5 -2,-0.0 -0.958 31.0-169.6-147.5 134.8 -42.3 -73.3 -6.1 22 144 A D S S+ 0 0 55 -2,-0.3 4,-0.1 1,-0.1 -1,-0.1 0.870 90.7 43.6 -82.8 -41.9 -44.0 -76.2 -4.4 23 145 A T S S+ 0 0 104 2,-0.1 -1,-0.1 0, 0.0 -2,-0.0 0.845 94.5 88.3 -76.5 -36.7 -43.9 -78.7 -7.2 24 146 A S S S- 0 0 43 1,-0.1 2,-0.7 2,-0.0 -3,-0.1 -0.221 83.8-109.6 -69.6 156.3 -40.3 -78.1 -8.5 25 147 A D > - 0 0 109 1,-0.2 3,-2.4 2,-0.0 4,-0.4 -0.760 22.4-147.8 -92.0 112.5 -37.3 -80.0 -7.2 26 148 A V G > S+ 0 0 2 -2,-0.7 3,-2.0 1,-0.3 -1,-0.2 0.838 93.5 56.2 -48.0 -47.5 -35.2 -77.6 -5.1 27 149 A T G 3 S+ 0 0 33 1,-0.3 363,-0.5 362,-0.1 -1,-0.3 0.562 90.5 74.7 -70.7 -6.1 -31.8 -79.3 -5.9 28 150 A S G < S+ 0 0 33 -3,-2.4 -1,-0.3 361,-0.1 2,-0.2 0.663 82.6 80.5 -78.7 -18.1 -32.5 -78.9 -9.7 29 151 A F < + 0 0 47 -3,-2.0 353,-0.3 -4,-0.4 415,-0.2 -0.631 69.1 163.2 -76.6 152.4 -31.7 -75.2 -9.1 30 152 A Y E -C 443 0B 67 413,-1.7 413,-2.6 -2,-0.2 361,-0.1 -0.984 37.1 -86.8-174.2 154.1 -28.0 -74.7 -9.1 31 153 A P E -C 442 0B 4 0, 0.0 411,-0.2 0, 0.0 3,-0.1 -0.366 33.6-130.6 -74.4 146.8 -25.1 -72.2 -9.3 32 154 A S - 0 0 14 409,-1.8 3,-0.1 1,-0.2 411,-0.0 -0.155 46.6 -77.9 -72.7-178.8 -23.5 -71.1 -12.6 33 155 A A S S- 0 0 70 1,-0.1 408,-0.5 407,-0.1 2,-0.3 -0.276 75.7 -65.0 -71.4 176.3 -19.7 -71.2 -12.8 34 156 A F - 0 0 33 359,-0.2 406,-0.2 406,-0.1 -1,-0.1 -0.505 56.8-140.6 -76.5 125.3 -18.1 -68.3 -11.1 35 157 A Q B -D 439 0C 58 404,-2.4 2,-0.7 -2,-0.3 404,-0.5 -0.396 9.0-123.9 -79.7 155.5 -18.8 -64.9 -12.7 36 158 A E + 0 0 30 -2,-0.1 2,-0.2 402,-0.1 456,-0.1 -0.892 42.7 153.0-104.9 110.5 -16.4 -62.0 -13.1 37 159 A H - 0 0 14 -2,-0.7 2,-0.4 58,-0.1 454,-0.3 -0.660 54.0 -76.2-119.2 179.2 -17.6 -58.7 -11.6 38 160 A L - 0 0 35 58,-0.3 60,-0.8 -2,-0.2 2,-0.3 -0.677 55.3-123.4 -81.4 133.6 -15.8 -55.7 -10.3 39 161 A N + 0 0 16 -2,-0.4 -1,-0.1 450,-0.3 452,-0.0 -0.601 32.6 173.3 -92.5 132.6 -14.3 -56.4 -6.9 40 162 A F + 0 0 20 -2,-0.3 -1,-0.1 448,-0.1 59,-0.0 0.899 55.5 84.5 -97.2 -60.6 -15.0 -54.5 -3.7 41 163 A I S S- 0 0 3 1,-0.1 448,-0.3 447,-0.0 2,-0.1 -0.271 80.6-133.0 -54.5 115.3 -13.4 -56.2 -0.6 42 164 A P - 0 0 22 0, 0.0 393,-0.1 0, 0.0 -1,-0.1 -0.363 11.0-134.5 -78.2 148.4 -9.9 -54.8 -0.8 43 165 A A - 0 0 13 444,-0.3 442,-0.5 1,-0.2 444,-0.1 -0.496 34.9 -80.6 -97.1 172.6 -6.7 -56.9 -0.4 44 166 A P - 0 0 11 0, 0.0 -1,-0.2 0, 0.0 440,-0.1 -0.170 21.2-140.0 -73.7 162.4 -3.6 -56.2 1.7 45 167 A T S S+ 0 0 0 438,-0.3 840,-0.3 837,-0.1 2,-0.3 0.473 81.4 33.5 -96.3 -5.0 -0.8 -53.8 0.8 46 168 A T S S- 0 0 24 3,-0.2 794,-0.0 437,-0.1 435,-0.0 -0.852 82.2-107.3-142.5 175.8 2.0 -56.0 2.1 47 169 A G S S+ 0 0 57 -2,-0.3 3,-0.1 793,-0.1 25,-0.0 0.144 117.9 47.4 -91.7 16.6 3.1 -59.6 2.7 48 170 A S S S+ 0 0 45 23,-0.1 25,-0.6 1,-0.1 24,-0.3 0.656 92.3 76.3-114.9 -64.4 2.4 -59.0 6.4 49 171 A G - 0 0 5 23,-0.1 2,-0.4 21,-0.1 21,-0.2 -0.216 62.3-172.2 -51.9 136.5 -1.0 -57.5 6.7 50 172 A a E -I 69 0D 10 19,-1.9 19,-2.6 -7,-0.1 2,-0.2 -0.992 17.9-137.1-139.9 130.1 -3.8 -60.0 6.1 51 173 A T E +I 68 0D 3 382,-0.5 2,-0.3 -2,-0.4 17,-0.2 -0.576 39.8 145.9 -81.0 145.9 -7.5 -59.4 5.7 52 174 A R E +I 67 0D 86 15,-2.8 15,-2.6 -2,-0.2 383,-0.0 -0.968 31.8 50.4-164.9 178.6 -9.8 -61.8 7.6 53 175 A I E - 0 0 22 -2,-0.3 14,-0.4 13,-0.2 62,-0.2 0.914 68.1-160.2 44.1 69.1 -13.1 -62.5 9.5 54 176 A P E - 0 0 2 0, 0.0 2,-0.3 0, 0.0 12,-0.2 -0.406 13.1-169.5 -78.9 151.1 -15.6 -61.0 7.0 55 177 A S E -I 65 0D 0 10,-2.5 10,-2.3 -2,-0.1 2,-0.3 -0.996 6.0-179.1-143.3 137.7 -19.1 -59.9 7.7 56 178 A F E +I 64 0D 7 -2,-0.3 125,-0.4 8,-0.2 2,-0.3 -0.988 10.1 162.7-142.0 141.1 -21.9 -58.8 5.3 57 179 A D E -I 63 0D 27 6,-2.0 6,-3.3 -2,-0.3 2,-0.4 -0.958 13.3-166.2-154.6 147.6 -25.5 -57.6 5.4 58 180 A M E +I 62 0D 30 -2,-0.3 4,-0.2 4,-0.2 61,-0.1 -0.994 27.1 135.0-142.8 132.1 -27.8 -55.8 2.8 59 181 A S S S- 0 0 57 2,-2.5 3,-0.1 -2,-0.4 -1,-0.1 0.336 94.9 -28.8-127.0 -84.6 -31.1 -54.0 2.6 60 182 A A S S+ 0 0 23 1,-0.2 -54,-0.8 -56,-0.1 2,-0.3 0.299 143.0 43.0-104.4 -5.9 -31.2 -50.7 0.5 61 183 A T S S- 0 0 4 -56,-0.1 -2,-2.5 62,-0.1 2,-0.5 -0.970 84.5-131.8-136.6 144.6 -27.6 -50.3 1.4 62 184 A H E -IJ 58 86D 0 24,-4.3 24,-2.6 -2,-0.3 2,-0.5 -0.916 20.5-163.0-106.7 124.1 -24.9 -53.0 1.4 63 185 A b E +IJ 57 85D 1 -6,-3.3 -6,-2.0 -2,-0.5 2,-0.4 -0.902 12.1 172.0-110.1 127.4 -22.7 -53.3 4.5 64 186 A Y E +IJ 56 84D 2 20,-2.3 20,-3.9 -2,-0.5 2,-0.3 -0.995 3.3 172.6-135.2 140.6 -19.3 -55.1 4.6 65 187 A T E +IJ 55 83D 1 -10,-2.3 -10,-2.5 -2,-0.4 2,-0.3 -0.997 1.5 175.8-144.0 142.3 -16.6 -55.3 7.2 66 188 A H E - J 0 82D 4 16,-1.7 16,-2.2 -2,-0.3 2,-0.2 -0.992 28.4-116.7-147.0 148.6 -13.4 -57.4 7.6 67 189 A N E -IJ 52 81D 8 -15,-2.6 -15,-2.8 -14,-0.4 2,-0.6 -0.575 17.3-151.1 -85.0 140.6 -10.5 -57.5 10.1 68 190 A V E +IJ 51 80D 12 12,-2.2 12,-2.3 -2,-0.2 -17,-0.2 -0.919 20.4 179.0-114.4 108.6 -6.9 -56.6 9.1 69 191 A I E -I 50 0D 26 -19,-2.6 -19,-1.9 -2,-0.6 2,-0.2 -0.351 9.8-147.3 -99.2 179.5 -4.3 -58.4 11.2 70 192 A F B > +L 74 0E 28 4,-0.8 4,-2.6 8,-0.4 -21,-0.1 -0.739 62.4 52.2-140.0-174.8 -0.5 -58.3 11.0 71 193 A S T 4 S- 0 0 72 -2,-0.2 3,-0.3 1,-0.2 -1,-0.2 0.947 134.4 -43.3 43.3 61.8 2.8 -60.1 11.4 72 194 A G T 4 S- 0 0 57 -24,-0.3 -1,-0.2 1,-0.2 -23,-0.1 0.900 112.2 -51.9 52.8 49.3 1.5 -62.9 9.2 73 195 A a T 4 S+ 0 0 41 -25,-0.6 2,-0.2 1,-0.2 -1,-0.2 0.862 116.0 112.5 57.5 37.9 -2.0 -63.1 10.7 74 196 A R B < +L 70 0E 49 -4,-2.6 -4,-0.8 -3,-0.3 -1,-0.2 -0.710 41.4 56.1-123.3 180.0 -0.5 -63.4 14.2 75 197 A D > - 0 0 33 -2,-0.2 3,-1.4 1,-0.1 -5,-0.4 0.984 50.4-167.2 55.1 73.8 -0.6 -61.1 17.2 76 198 A H T 3 S+ 0 0 104 1,-0.3 -1,-0.1 -3,-0.1 55,-0.1 0.738 73.4 93.7 -47.5 -29.4 -4.2 -60.4 17.9 77 199 A S T 3 S+ 0 0 63 55,-0.1 2,-0.3 34,-0.0 -1,-0.3 0.648 93.7 28.3 -52.9 -18.5 -2.9 -57.7 20.1 78 200 A H < + 0 0 57 -3,-1.4 -8,-0.4 -4,-0.2 2,-0.3 -0.985 69.7 136.1-141.5 148.5 -3.2 -55.3 17.2 79 201 A S - 0 0 10 -2,-0.3 2,-0.2 30,-0.3 -10,-0.2 -0.920 35.9-128.4-176.0 163.3 -5.4 -55.0 14.2 80 202 A H E -J 68 0D 25 -12,-2.3 -12,-2.2 -2,-0.3 2,-0.4 -0.671 20.0-140.7-106.8 174.8 -7.4 -52.6 12.1 81 203 A Q E -JK 67 106D 3 25,-0.9 25,-3.2 -2,-0.2 2,-0.6 -0.987 6.2-153.4-143.3 130.7 -11.0 -52.9 11.1 82 204 A Y E -JK 66 105D 15 -16,-2.2 -16,-1.7 -2,-0.4 2,-0.5 -0.906 11.3-177.8-110.4 117.3 -12.5 -52.0 7.7 83 205 A L E -JK 65 104D 9 21,-2.5 21,-2.5 -2,-0.6 2,-0.4 -0.969 7.7-172.2-115.3 124.1 -16.2 -51.1 7.4 84 206 A A E -JK 64 103D 1 -20,-3.9 -20,-2.3 -2,-0.5 2,-0.4 -0.917 13.5-154.9-118.1 141.2 -17.6 -50.3 4.0 85 207 A L E +JK 63 102D 0 17,-5.6 17,-3.3 -2,-0.4 16,-0.3 -0.955 33.0 158.0-112.8 132.2 -21.0 -48.9 2.9 86 208 A G E -J 62 0D 0 -24,-2.6 -24,-4.3 -2,-0.4 2,-0.3 -0.895 33.6-129.1-154.5 176.7 -22.2 -49.7 -0.6 87 209 A V E - K 0 99D 3 12,-3.0 12,-1.9 -2,-0.3 2,-0.5 -0.923 25.4-118.4-134.0 148.0 -24.7 -50.2 -3.3 88 210 A L E + K 0 98D 0 -2,-0.3 -81,-2.1 10,-0.2 2,-0.3 -0.803 43.1 178.3 -87.8 125.6 -25.6 -52.9 -5.9 89 211 A R E - 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