==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=16-OCT-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 01-OCT-00 1E8T . COMPND 2 MOLECULE: HEMAGGLUTININ-NEURAMINIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: NEWCASTLE DISEASE VIRUS; . AUTHOR S.CRENNELL,T.TAKIMOTO,A.PORTNER,G.TAYLOR . 895 2 12 12 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 32264.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 564 63.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 17 1.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 305 34.1 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 . 7 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 13 1.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 101 11.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 67 7.5 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 . 2 0.2 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 1 2 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 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 2 6 6 6 4 5 5 2 2 2 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 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 1 124 A G 0 0 86 0, 0.0 121,-0.1 0, 0.0 152,-0.0 0.000 360.0 360.0 360.0 53.2 10.6 51.2 3.5 2 125 A A - 0 0 51 119,-0.2 59,-0.1 1,-0.2 120,-0.0 0.031 360.0-164.3 -36.3 117.1 10.2 54.6 5.0 3 126 A P - 0 0 50 0, 0.0 -1,-0.2 0, 0.0 58,-0.1 0.713 35.4-143.5 -77.6 -24.0 7.9 54.4 8.2 4 127 A I - 0 0 93 56,-0.2 56,-0.2 2,-0.0 57,-0.1 0.632 4.4-117.0 64.8 136.2 7.5 58.2 8.0 5 128 A H - 0 0 12 54,-0.5 85,-0.1 1,-0.2 84,-0.1 0.866 63.8 -54.5 -63.1-109.0 7.3 60.5 11.1 6 129 A D >> - 0 0 27 83,-0.1 3,-2.7 1,-0.0 4,-0.5 -0.973 44.7-111.6-137.9 148.3 3.9 62.3 11.3 7 130 A P G >4 S+ 0 0 105 0, 0.0 3,-0.5 0, 0.0 405,-0.1 0.734 115.3 70.4 -54.0 -19.1 2.2 64.4 8.7 8 131 A D G 34 S+ 0 0 43 1,-0.2 404,-2.4 404,-0.1 405,-0.9 0.715 98.0 48.7 -70.4 -22.2 2.9 67.4 11.0 9 132 A F G X4 S+ 0 0 1 -3,-2.7 3,-2.5 402,-0.2 401,-0.2 0.583 76.0 122.9 -97.4 -10.8 6.6 67.1 10.2 10 133 A I T << S+ 0 0 115 -4,-0.5 402,-0.1 -3,-0.5 50,-0.0 -0.255 85.2 12.4 -57.6 133.2 6.7 67.0 6.4 11 134 A G T 3 S+ 0 0 52 2,-0.1 -1,-0.3 48,-0.1 400,-0.1 0.402 115.3 83.3 80.1 -1.8 8.8 69.8 5.0 12 135 A G < + 0 0 1 -3,-2.5 398,-2.2 398,-0.1 2,-0.5 0.269 65.1 92.0-116.6 11.4 10.1 70.5 8.4 13 136 A I S S- 0 0 12 -4,-0.2 46,-0.2 396,-0.2 -2,-0.1 -0.917 102.1 -8.8-110.6 130.1 12.9 67.9 8.7 14 137 A G S S+ 0 0 19 -2,-0.5 271,-2.7 394,-0.4 2,-0.2 0.766 102.9 125.1 59.6 27.6 16.5 68.8 7.7 15 138 A K S S- 0 0 98 269,-0.2 2,-0.8 -3,-0.2 -1,-0.2 -0.596 78.2 -82.8-109.1 172.7 15.5 72.1 6.2 16 139 A E - 0 0 32 -2,-0.2 3,-0.2 1,-0.2 337,-0.1 -0.716 46.9-163.3 -77.0 109.9 16.6 75.6 6.8 17 140 A L + 0 0 8 -2,-0.8 2,-0.5 335,-0.3 -1,-0.2 0.934 67.8 24.1 -62.6 -54.6 14.5 76.4 9.8 18 141 A I E -a 354 0A 22 335,-2.6 337,-2.6 345,-0.1 2,-0.8 -0.940 62.5-170.5-125.2 112.0 14.6 80.2 10.0 19 142 A V E +a 355 0A 55 -2,-0.5 2,-0.3 335,-0.2 337,-0.2 -0.867 28.3 144.2-103.9 105.7 15.3 82.3 7.0 20 143 A D + 0 0 29 335,-1.9 -2,-0.1 -2,-0.8 5,-0.0 -0.998 29.1 175.0-144.1 142.5 15.9 85.9 8.0 21 144 A N S S+ 0 0 59 -2,-0.3 -1,-0.1 335,-0.1 335,-0.1 0.464 87.0 42.8-118.5 -16.1 18.2 88.7 6.8 22 145 A A S S+ 0 0 89 2,-0.1 3,-0.1 3,-0.0 -2,-0.1 0.902 91.0 82.0 -94.1 -67.2 16.9 91.5 9.0 23 146 A S S S- 0 0 24 1,-0.1 2,-0.1 2,-0.1 -3,-0.1 -0.031 87.6-105.4 -47.5 135.3 16.3 90.1 12.5 24 147 A D > - 0 0 93 1,-0.1 3,-1.6 2,-0.1 4,-0.4 -0.426 26.1-133.0 -62.3 132.7 19.4 89.9 14.8 25 148 A V G > S+ 0 0 2 1,-0.3 3,-2.0 2,-0.2 -1,-0.1 0.940 105.5 53.0 -56.1 -47.2 20.4 86.2 15.0 26 149 A T G 3 S+ 0 0 26 1,-0.3 364,-0.5 363,-0.1 -1,-0.3 0.453 88.0 79.4 -70.7 0.6 20.7 86.4 18.8 27 150 A S G < S+ 0 0 22 -3,-1.6 418,-1.5 362,-0.1 2,-0.3 0.736 84.1 76.7 -75.5 -21.7 17.2 87.8 19.1 28 151 A F E < +F 444 0B 9 -3,-2.0 354,-0.3 -4,-0.4 416,-0.3 -0.661 69.1 164.7 -84.8 142.4 16.2 84.1 18.6 29 152 A Y E -F 443 0B 45 414,-2.8 414,-3.6 -2,-0.3 2,-0.2 -0.993 37.6 -96.9-158.2 158.9 16.6 82.0 21.7 30 153 A P E -F 442 0B 0 0, 0.0 412,-0.2 0, 0.0 3,-0.1 -0.548 32.8-145.3 -80.4 143.9 15.8 78.7 23.4 31 154 A S - 0 0 10 410,-1.8 2,-0.1 1,-0.2 411,-0.0 0.010 45.1 -57.7 -87.0-160.8 12.9 78.4 25.9 32 155 A A S S- 0 0 71 1,-0.1 2,-1.9 408,-0.1 409,-0.5 -0.455 75.4 -77.4 -78.1 158.3 12.7 76.2 29.0 33 156 A F - 0 0 34 1,-0.2 407,-0.2 407,-0.1 -1,-0.1 -0.381 46.7-156.8 -62.4 85.6 13.2 72.4 28.4 34 157 A Q - 0 0 77 -2,-1.9 2,-0.3 405,-0.6 -1,-0.2 0.756 65.3 -18.8 -28.9 -56.9 9.6 71.7 27.1 35 158 A E B -G 439 0C 38 404,-0.6 404,-1.1 -3,-0.1 2,-0.7 -0.926 58.6-113.5-149.8 173.8 9.9 68.1 28.0 36 159 A H - 0 0 72 -2,-0.3 402,-0.2 402,-0.1 -2,-0.0 -0.915 41.5-143.0-115.2 94.5 12.3 65.2 28.9 37 160 A L - 0 0 14 -2,-0.7 3,-0.1 400,-0.3 60,-0.1 -0.131 6.5-150.8 -55.3 155.1 11.9 62.8 26.0 38 161 A N + 0 0 151 60,-0.2 -1,-0.1 1,-0.1 4,-0.1 0.372 66.9 101.4-114.8 6.5 12.0 59.0 26.7 39 162 A F + 0 0 11 2,-0.1 -1,-0.1 1,-0.1 -2,-0.0 0.744 68.5 79.6 -64.9 -20.6 13.4 57.5 23.5 40 163 A I S S- 0 0 15 -3,-0.1 -1,-0.1 397,-0.0 25,-0.0 -0.776 82.6-131.4 -95.4 117.0 16.9 57.2 25.1 41 164 A P - 0 0 47 0, 0.0 394,-0.2 0, 0.0 3,-0.1 -0.328 20.0-120.6 -62.6 143.3 17.3 54.2 27.3 42 165 A A - 0 0 26 1,-0.2 452,-0.2 -4,-0.1 451,-0.1 -0.246 51.7 -71.4 -73.7 167.3 18.8 54.8 30.7 43 166 A P - 0 0 3 0, 0.0 450,-1.0 0, 0.0 451,-0.2 -0.416 47.3-120.8 -59.9 144.6 22.0 52.8 31.4 44 167 A T S S+ 0 0 70 5,-0.2 449,-0.5 448,-0.2 2,-0.3 0.852 96.8 40.1 -58.2 -30.4 21.0 49.2 31.9 45 168 A T S > S- 0 0 29 447,-0.3 3,-0.7 24,-0.3 447,-0.3 -0.775 80.3-127.7-117.2 160.4 22.5 49.3 35.4 46 169 A G T 3 S+ 0 0 5 445,-0.9 386,-0.3 444,-0.9 446,-0.1 0.619 110.8 49.5 -80.2 -12.0 22.5 51.9 38.1 47 170 A S T 3 S+ 0 0 61 23,-0.3 25,-3.5 444,-0.3 -1,-0.2 0.287 105.9 69.0-107.2 5.6 26.2 51.8 38.5 48 171 A G B < -l 72 0D 3 -3,-0.7 384,-0.3 23,-0.3 2,-0.3 -0.357 69.4-128.0-110.5-165.5 27.0 52.1 34.8 49 172 A a E -M 69 0E 0 20,-1.5 20,-1.8 23,-0.5 2,-0.4 -0.891 8.6-138.7-144.3 168.3 26.7 54.7 32.1 50 173 A T E +M 68 0E 1 383,-1.0 2,-0.3 -2,-0.3 18,-0.2 -0.976 43.2 158.1-123.7 135.2 25.5 55.6 28.6 51 174 A R E +M 67 0E 24 16,-2.4 16,-3.0 -2,-0.4 384,-0.1 -0.939 33.9 45.0-152.4 174.4 28.0 57.6 26.6 52 175 A I E S- 0 0 15 -2,-0.3 -1,-0.2 14,-0.2 2,-0.1 0.964 70.2-158.6 49.3 68.8 29.2 58.8 23.2 53 176 A P E - 0 0 2 0, 0.0 2,-0.3 0, 0.0 13,-0.2 -0.462 13.1-172.1 -79.0 149.7 25.8 59.6 21.7 54 177 A S E +M 65 0E 0 11,-2.1 11,-2.2 -2,-0.1 2,-0.3 -0.996 6.5 173.8-141.1 140.9 25.2 59.8 18.0 55 178 A F E +M 64 0E 0 -2,-0.3 126,-0.5 9,-0.2 2,-0.3 -0.986 8.8 167.5-154.1 139.0 22.1 61.1 16.2 56 179 A D E -M 63 0E 12 7,-1.9 7,-3.0 -2,-0.3 2,-0.4 -0.993 13.1-161.2-149.8 142.1 21.0 61.8 12.6 57 180 A M E -M 62 0E 18 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.987 5.5-174.9-133.3 134.8 17.5 62.4 11.2 58 181 A S E > -M 61 0E 33 3,-3.1 3,-0.7 -2,-0.4 -44,-0.1 -0.748 51.0 -79.5-117.3 171.3 16.2 62.2 7.7 59 182 A A T 3 S+ 0 0 73 -2,-0.3 -54,-0.5 1,-0.2 -47,-0.1 0.681 126.9 25.3 -42.1 -30.9 12.8 63.1 6.2 60 183 A T T 3 S+ 0 0 32 1,-0.2 2,-0.3 -56,-0.2 -56,-0.2 0.571 124.8 10.8-115.6 -12.9 11.2 59.9 7.4 61 184 A H E < -M 58 0E 1 -3,-0.7 -3,-3.1 26,-0.1 2,-0.3 -0.995 56.2-130.1-161.9 162.6 13.1 58.6 10.4 62 185 A Y E -MN 57 86E 0 24,-2.5 24,-2.5 -2,-0.3 2,-0.4 -0.824 15.3-149.2-116.3 157.9 15.8 59.3 13.1 63 186 A b E +MN 56 85E 0 -7,-3.0 -7,-1.9 -2,-0.3 2,-0.4 -0.984 16.3 177.9-129.5 137.9 18.8 57.2 14.1 64 187 A Y E +MN 55 84E 0 20,-2.3 20,-3.1 -2,-0.4 2,-0.3 -1.000 3.8 169.0-142.2 142.9 20.3 57.1 17.5 65 188 A T E +MN 54 83E 0 -11,-2.2 -11,-2.1 -2,-0.4 2,-0.3 -0.994 1.8 170.2-152.5 150.0 23.1 55.2 19.1 66 189 A H E - 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