==== 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 1E8U . 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) . 32601.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 558 62.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 16 1.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 304 34.0 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 . 6 0.7 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 . 92 10.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 69 7.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 41 4.6 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 3 0 3 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 PARALLEL BRIDGES PER LADDER . 5 3 7 4 7 4 5 5 1 3 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 3 5 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 97 0, 0.0 121,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 59.2 9.6 51.3 4.6 2 125 A A - 0 0 30 119,-0.2 59,-0.1 1,-0.2 120,-0.0 -0.332 360.0-143.8 -56.8 120.2 10.3 54.5 6.6 3 126 A P - 0 0 58 0, 0.0 -1,-0.2 0, 0.0 58,-0.1 0.727 39.5-145.6 -58.0 -22.8 7.6 54.8 9.3 4 127 A I - 0 0 93 56,-0.3 56,-0.2 82,-0.1 57,-0.1 0.484 13.0 -86.5 66.9 147.2 7.7 58.5 8.7 5 128 A H - 0 0 7 54,-0.5 84,-0.2 1,-0.2 5,-0.1 -0.357 62.2 -75.0 -77.5 164.3 7.3 61.3 11.3 6 129 A D >> - 0 0 37 82,-2.2 3,-2.7 1,-0.1 4,-0.6 -0.273 48.9-106.6 -58.8 148.4 3.7 62.6 12.1 7 130 A P T 34 S+ 0 0 92 0, 0.0 3,-0.2 0, 0.0 -1,-0.1 0.637 115.3 75.7 -53.0 -13.2 2.3 64.8 9.3 8 131 A D T 34 S+ 0 0 48 1,-0.2 404,-1.2 404,-0.1 405,-1.2 0.749 98.7 42.2 -71.7 -23.6 2.8 67.7 11.6 9 132 A F T X4 S+ 0 0 0 -3,-2.7 3,-3.3 402,-0.2 4,-0.2 0.575 79.9 127.2 -99.3 -12.0 6.6 67.6 10.9 10 133 A I T 3< S+ 0 0 104 -4,-0.6 402,-0.1 1,-0.3 50,-0.1 -0.213 84.8 11.9 -49.7 126.3 6.5 67.1 7.2 11 134 A G T 3 S+ 0 0 55 48,-0.1 -1,-0.3 2,-0.1 400,-0.1 0.443 109.9 90.6 83.1 -0.8 8.6 69.7 5.5 12 135 A G < + 0 0 2 -3,-3.3 398,-2.2 47,-0.1 2,-0.4 0.283 64.2 93.5-109.9 11.6 10.0 70.7 8.9 13 136 A I S S- 0 0 10 -4,-0.2 46,-0.1 396,-0.2 396,-0.1 -0.884 95.5 -7.9-110.9 135.2 13.1 68.4 8.9 14 137 A G S S+ 0 0 21 394,-0.4 271,-3.2 -2,-0.4 2,-0.2 0.703 99.2 122.2 59.2 25.6 16.6 69.3 7.7 15 138 A K S S- 0 0 104 269,-0.3 2,-0.6 -3,-0.2 -1,-0.2 -0.677 78.4 -85.9-112.9 167.2 15.6 72.7 6.3 16 139 A E - 0 0 35 -2,-0.2 3,-0.1 1,-0.2 337,-0.1 -0.638 46.6-165.6 -70.4 117.8 16.8 76.2 6.9 17 140 A L + 0 0 12 -2,-0.6 2,-0.5 336,-0.3 -1,-0.2 0.932 64.5 30.9 -75.2 -50.1 14.5 77.1 9.8 18 141 A I E -a 354 0A 23 335,-2.4 337,-2.9 345,-0.1 2,-0.6 -0.954 61.5-171.5-120.2 120.5 14.7 80.9 10.2 19 142 A V E +a 355 0A 60 -2,-0.5 2,-0.3 335,-0.2 337,-0.2 -0.944 26.2 142.1-110.9 118.1 15.4 83.2 7.2 20 143 A D + 0 0 24 335,-2.2 -2,-0.1 -2,-0.6 5,-0.0 -0.953 29.3 178.6-159.1 136.1 16.0 86.8 8.1 21 144 A N S S+ 0 0 64 -2,-0.3 -1,-0.1 335,-0.1 335,-0.1 0.481 86.4 38.1-114.1 -9.6 18.3 89.6 6.9 22 145 A A S S+ 0 0 89 2,-0.1 3,-0.1 3,-0.0 -2,-0.1 0.840 89.5 84.9-104.5 -66.8 17.2 92.4 9.2 23 146 A S S S- 0 0 26 1,-0.1 2,-0.1 2,-0.1 5,-0.1 -0.021 90.0-100.8 -43.6 135.3 16.5 91.1 12.8 24 147 A D > - 0 0 96 1,-0.2 3,-2.1 2,-0.1 4,-0.3 -0.430 30.5-133.3 -60.0 128.1 19.6 90.8 15.0 25 148 A V G > S+ 0 0 4 1,-0.3 3,-1.8 2,-0.2 -1,-0.2 0.911 104.6 53.7 -52.0 -47.7 20.4 87.1 15.0 26 149 A T G 3 S+ 0 0 23 1,-0.3 364,-0.4 363,-0.1 -1,-0.3 0.387 84.1 85.4 -72.7 6.5 20.8 86.9 18.7 27 150 A S G < S+ 0 0 20 -3,-2.1 418,-2.0 362,-0.1 2,-0.3 0.681 80.1 77.1 -77.4 -16.7 17.3 88.4 19.2 28 151 A F E < +F 444 0B 17 -3,-1.8 354,-0.3 -4,-0.3 416,-0.3 -0.735 68.4 166.1 -90.1 143.4 16.2 84.8 18.8 29 152 A Y E -F 443 0B 48 414,-2.6 414,-3.5 -2,-0.3 2,-0.2 -0.986 37.7 -93.7-155.9 160.0 16.8 82.7 21.9 30 153 A P E -F 442 0B 0 0, 0.0 412,-0.2 0, 0.0 3,-0.1 -0.521 34.0-143.4 -79.0 145.1 15.9 79.4 23.6 31 154 A S - 0 0 10 410,-2.0 2,-0.1 1,-0.3 412,-0.0 -0.064 46.6 -58.5 -86.7-163.8 13.0 79.2 26.0 32 155 A A S S- 0 0 70 1,-0.1 2,-2.2 408,-0.1 409,-0.5 -0.360 77.7 -73.0 -73.7 162.5 12.9 77.1 29.2 33 156 A F - 0 0 35 1,-0.2 407,-0.2 407,-0.1 -1,-0.1 -0.329 49.2-159.6 -61.9 79.7 13.5 73.3 28.7 34 157 A Q - 0 0 72 -2,-2.2 2,-0.3 405,-0.2 -1,-0.2 0.727 63.5 -9.3 -27.2 -50.4 10.1 72.6 27.2 35 158 A E E -G 439 0C 29 404,-1.0 404,-1.2 -3,-0.1 2,-0.7 -0.973 52.8-123.6-154.0 168.3 10.4 68.9 28.1 36 159 A H E -G 438 0C 89 -2,-0.3 402,-0.2 402,-0.2 -2,-0.0 -0.872 40.4-148.5-114.9 89.9 12.5 66.0 29.3 37 160 A L - 0 0 17 -2,-0.7 3,-0.1 400,-0.6 60,-0.1 -0.152 9.0-155.4 -58.2 154.6 12.2 63.4 26.5 38 161 A N + 0 0 149 60,-0.2 -1,-0.1 1,-0.1 4,-0.1 0.352 65.5 100.4-116.2 5.1 12.3 59.7 27.4 39 162 A F + 0 0 17 2,-0.1 -1,-0.1 1,-0.0 -2,-0.0 0.724 67.2 79.2 -66.7 -20.8 13.5 58.1 24.1 40 163 A I S S- 0 0 15 -3,-0.1 -1,-0.0 397,-0.1 25,-0.0 -0.788 84.7-127.7 -92.2 120.2 17.1 57.8 25.4 41 164 A P - 0 0 46 0, 0.0 394,-0.2 0, 0.0 3,-0.1 -0.293 19.9-122.7 -64.3 147.1 17.6 54.8 27.7 42 165 A A - 0 0 25 1,-0.2 452,-0.2 -4,-0.1 451,-0.1 -0.245 49.6 -67.9 -79.3 172.6 19.2 55.4 31.1 43 166 A P - 0 0 9 0, 0.0 450,-1.0 0, 0.0 451,-0.2 -0.272 44.6-123.0 -59.1 155.6 22.3 53.4 32.0 44 167 A T S S+ 0 0 67 5,-0.2 449,-0.3 448,-0.2 2,-0.3 0.827 94.7 36.8 -70.7 -28.4 21.6 49.7 32.5 45 168 A T S > S- 0 0 31 447,-0.3 3,-0.6 24,-0.3 447,-0.3 -0.818 80.7-123.3-121.2 160.8 23.0 49.9 36.0 46 169 A G T 3 S+ 0 0 5 444,-0.9 386,-0.2 445,-0.4 445,-0.1 0.662 114.6 43.2 -76.4 -14.8 22.9 52.5 38.8 47 170 A S T 3 S+ 0 0 57 23,-0.3 25,-2.8 444,-0.2 -1,-0.2 0.347 106.3 74.7-110.4 3.8 26.7 52.5 39.0 48 171 A G < - 0 0 4 -3,-0.6 384,-0.4 23,-0.3 2,-0.3 -0.169 67.4-135.7-100.9-163.4 27.3 52.6 35.2 49 172 A a E -L 69 0D 0 20,-1.8 20,-2.5 23,-0.3 2,-0.4 -0.969 10.1-136.2-152.5 167.1 27.0 55.2 32.5 50 173 A T E +L 68 0D 0 383,-1.2 2,-0.3 -2,-0.3 18,-0.2 -0.987 41.1 158.4-124.9 135.1 25.9 56.1 29.0 51 174 A R E +L 67 0D 21 16,-2.5 16,-3.1 -2,-0.4 384,-0.1 -0.915 34.2 46.3-151.3 173.5 28.3 58.2 27.0 52 175 A I E - 0 0 18 -2,-0.3 -1,-0.2 14,-0.2 2,-0.2 0.962 67.7-160.4 50.6 69.3 29.5 59.3 23.6 53 176 A P E - 0 0 3 0, 0.0 2,-0.3 0, 0.0 13,-0.2 -0.471 12.6-172.1 -80.0 148.3 26.1 60.1 21.9 54 177 A S E +L 65 0D 0 11,-2.0 11,-2.1 -2,-0.2 2,-0.3 -0.994 7.4 175.9-140.1 139.2 25.5 60.4 18.2 55 178 A F E +L 64 0D 1 -2,-0.3 126,-0.5 9,-0.2 2,-0.3 -0.998 9.5 164.5-149.3 141.3 22.3 61.6 16.5 56 179 A D E -L 63 0D 14 7,-2.0 7,-3.0 -2,-0.3 2,-0.4 -0.966 12.8-163.8-155.7 140.7 21.1 62.3 13.0 57 180 A M E -L 62 0D 17 -2,-0.3 5,-0.3 5,-0.3 2,-0.2 -0.990 3.7-172.3-135.1 129.5 17.6 62.8 11.5 58 181 A S - 0 0 33 3,-2.8 -44,-0.1 -2,-0.4 62,-0.1 -0.452 50.4 -77.5-106.3-176.6 16.3 62.7 8.0 59 182 A A S S+ 0 0 74 1,-0.2 -54,-0.5 -2,-0.2 -48,-0.1 0.699 127.3 26.8 -56.5 -22.9 12.9 63.6 6.5 60 183 A T S S+ 0 0 41 1,-0.3 2,-0.3 -56,-0.2 -56,-0.3 0.704 125.0 4.4-115.6 -23.9 11.4 60.3 7.7 61 184 A H - 0 0 1 26,-0.1 -3,-2.8 -57,-0.1 2,-0.3 -0.974 57.0-126.8-155.8 166.1 13.2 59.1 10.7 62 185 A Y E -LM 57 86D 0 24,-2.4 24,-2.2 -2,-0.3 2,-0.4 -0.825 15.8-150.4-117.2 159.0 15.9 59.8 13.3 63 186 A b E +LM 56 85D 0 -7,-3.0 -7,-2.0 -2,-0.3 2,-0.3 -0.986 16.0 177.5-129.3 140.0 18.9 57.6 14.4 64 187 A Y E +LM 55 84D 0 20,-2.3 20,-3.3 -2,-0.4 2,-0.3 -0.997 3.4 171.4-144.7 145.5 20.5 57.6 17.8 65 188 A T E +LM 54 83D 0 -11,-2.1 -11,-2.0 -2,-0.3 2,-0.3 -0.995 1.3 171.3-153.6 149.4 23.3 55.7 19.4 66 189 A H E - M 0 82D 3 16,-2.0 16,-3.0 -2,-0.3 2,-0.4 -0.981 31.3-110.6-153.5 161.7 25.4 55.7 22.6 67 190 A N E -LM 51 81D 4 -16,-3.1 -16,-2.5 -2,-0.3 2,-0.4 -0.768 27.9-151.2 -98.2 141.0 28.0 53.6 24.5 68 191 A V E -LM 50 80D 5 12,-2.9 12,-1.6 -2,-0.4 2,-0.4 -0.946 8.5-168.2-118.9 133.0 27.1 51.8 27.7 69 192 A I E -LM 49 79D 0 -20,-2.5 -20,-1.8 -2,-0.4 -24,-0.3 -0.960 10.9-154.9-116.7 134.0 29.4 50.9 30.6 70 193 A L S S+ 0 0 91 8,-0.6 2,-0.5 -2,-0.4 -23,-0.3 0.892 82.2 27.9 -76.1 -42.5 28.3 48.6 33.4 71 194 A S S S- 0 0 87 3,-0.1 3,-0.4 -23,-0.1 -23,-0.3 -0.960 125.0 -33.4-126.9 116.4 30.5 49.7 36.2 72 195 A G S S- 0 0 18 -25,-2.8 -23,-0.3 -2,-0.5 -3,-0.1 -0.395 76.6 -92.1 74.1-156.6 31.8 53.3 36.4 73 196 A a + 0 0 22 -25,-0.1 2,-0.2 -2,-0.1 -1,-0.2 0.097 60.6 155.7-144.7 21.1 32.5 55.1 33.1 74 197 A R > - 0 0 151 -3,-0.4 2,-0.7 1,-0.2 3,-0.6 -0.373 47.6-132.8 -59.3 119.6 36.2 54.3 32.6 75 198 A D T 3 S+ 0 0 85 1,-0.2 -1,-0.2 -2,-0.2 4,-0.1 0.219 102.4 56.1 -59.9 19.1 36.9 54.6 28.8 76 199 A H T 3 S+ 0 0 81 -2,-0.7 -1,-0.2 2,-0.1 3,-0.1 0.723 80.4 93.6-116.6 -51.8 38.7 51.2 29.2 77 200 A S S < S- 0 0 40 -3,-0.6 -5,-0.0 1,-0.1 0, 0.0 0.086 91.2 -77.2 -45.0 156.4 36.2 48.7 30.7 78 201 A H - 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