==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 16-MAR-05 1Z4Y . COMPND 2 MOLECULE: HEMAGGLUTININ-NEURAMINIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SIMIAN VIRUS 5; . AUTHOR P.YUAN,T.B.THOMPSON,B.A.WURZBURG,R.G.PATERSON,R.A.LAMB,T.S.J . 443 2 6 5 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16396.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 292 65.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 6 1.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 159 35.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 1.4 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 . 52 11.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 33 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 23 5.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 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 1 0 2 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 3 1 2 1 4 3 4 1 1 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 . 0 0 3 1 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 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 1 118 A I 0 0 132 0, 0.0 55,-0.2 0, 0.0 54,-0.1 0.000 360.0 360.0 360.0 147.3 149.5 -19.8 -137.7 2 119 A N - 0 0 4 53,-1.6 78,-0.2 52,-0.3 5,-0.1 -0.136 360.0 -90.0 -60.8 157.2 151.5 -22.7 -136.3 3 120 A D >> - 0 0 59 76,-2.4 3,-2.6 1,-0.1 4,-1.8 -0.273 37.0-108.4 -65.6 151.8 152.8 -22.7 -132.7 4 121 A N T 34 S+ 0 0 127 1,-0.3 4,-0.4 2,-0.2 -1,-0.1 0.702 116.3 70.2 -55.5 -19.4 156.2 -21.3 -131.9 5 122 A R T 34 S+ 0 0 75 1,-0.2 406,-2.3 74,-0.1 407,-0.5 0.622 112.4 24.8 -75.8 -9.9 157.3 -24.9 -131.3 6 123 A Y T X4 S+ 0 0 0 -3,-2.6 3,-2.8 404,-0.2 403,-0.2 0.634 92.3 90.1-125.5 -25.0 157.0 -25.7 -135.0 7 124 A I T 3< S+ 0 0 31 -4,-1.8 3,-0.3 1,-0.3 -3,-0.1 0.766 100.3 39.6 -49.2 -27.1 157.4 -22.5 -137.1 8 125 A N T 3 S+ 0 0 91 -4,-0.4 -1,-0.3 1,-0.2 -2,-0.1 0.201 106.8 63.3-109.0 17.9 161.2 -23.1 -137.2 9 126 A G S < S+ 0 0 0 -3,-2.8 400,-2.2 400,-0.1 2,-0.3 0.085 77.7 110.6-126.9 26.0 161.2 -26.9 -137.7 10 127 A I B S+A 408 0A 15 -3,-0.3 266,-0.2 398,-0.2 398,-0.1 -0.804 75.4 2.5-110.1 144.4 159.5 -27.2 -141.0 11 128 A N S S+ 0 0 32 396,-0.5 265,-2.6 -2,-0.3 2,-0.3 0.917 96.8 116.2 51.7 58.8 160.8 -28.2 -144.5 12 129 A Q S S- 0 0 66 -3,-0.3 2,-0.7 263,-0.3 -1,-0.2 -0.896 75.0-101.1-143.6 170.3 164.4 -29.0 -143.5 13 130 A F - 0 0 41 -2,-0.3 335,-0.1 1,-0.1 336,-0.1 -0.891 37.7-169.2 -93.5 117.9 166.9 -31.8 -143.2 14 131 A Y + 0 0 8 -2,-0.7 2,-0.3 333,-0.2 335,-0.2 0.735 56.6 47.4 -85.9 -23.5 166.8 -32.6 -139.5 15 132 A F B S-f 349 0B 21 333,-2.3 335,-0.6 2,-0.0 2,-0.2 -0.864 72.4-122.9-124.9 156.5 169.8 -34.9 -139.1 16 133 A S > - 0 0 54 -2,-0.3 4,-2.6 333,-0.1 3,-0.3 -0.511 39.8-102.9 -86.8 159.4 173.5 -35.0 -140.0 17 134 A I H > S+ 0 0 28 1,-0.2 4,-0.8 2,-0.2 -1,-0.1 0.904 124.6 49.8 -48.7 -46.6 174.9 -38.0 -142.0 18 135 A A H >4 S+ 0 0 59 1,-0.2 3,-0.6 2,-0.2 4,-0.3 0.885 111.1 48.2 -61.1 -41.6 176.4 -39.4 -138.8 19 136 A E H >4 S+ 0 0 73 -3,-0.3 3,-1.9 1,-0.2 425,-0.2 0.855 99.7 66.7 -68.8 -36.0 173.1 -39.0 -136.8 20 137 A G H >< S+ 0 0 0 -4,-2.6 3,-1.2 1,-0.3 -1,-0.2 0.806 91.3 64.4 -55.2 -30.5 171.1 -40.7 -139.6 21 138 A R T << S+ 0 0 141 -4,-0.8 -1,-0.3 -3,-0.6 -2,-0.2 0.735 105.3 44.1 -66.9 -22.2 172.9 -43.9 -138.9 22 139 A N T < S+ 0 0 98 -3,-1.9 422,-3.8 -4,-0.3 2,-0.4 -0.054 84.5 125.1-114.7 32.2 171.4 -44.1 -135.4 23 140 A L E < +B 443 0A 5 -3,-1.2 2,-0.3 420,-0.2 420,-0.2 -0.762 29.9 172.2 -97.8 140.3 167.8 -43.2 -136.1 24 141 A T E -B 442 0A 53 418,-2.5 418,-2.4 -2,-0.4 2,-0.4 -0.937 32.8-104.8-139.9 158.2 164.9 -45.4 -135.1 25 142 A L E -B 441 0A 19 -2,-0.3 416,-0.2 416,-0.2 365,-0.1 -0.713 30.6-143.7 -90.1 134.8 161.1 -45.1 -135.1 26 143 A G E - 0 0 7 414,-3.4 3,-0.1 -2,-0.4 -1,-0.1 -0.218 37.7 -70.0 -85.6 179.2 159.2 -44.5 -131.9 27 144 A P E - 0 0 99 0, 0.0 413,-0.6 0, 0.0 2,-0.2 -0.302 59.5 -95.1 -67.9 153.6 155.8 -45.9 -130.9 28 145 A L E -B 439 0A 57 411,-0.2 2,-0.3 -3,-0.1 411,-0.2 -0.526 42.6-142.3 -70.4 136.3 152.8 -44.6 -132.7 29 146 A L E -B 438 0A 44 409,-3.2 2,-0.7 -2,-0.2 409,-0.5 -0.784 9.8-122.3-103.3 146.6 151.2 -41.7 -130.8 30 147 A N + 0 0 146 -2,-0.3 407,-0.1 407,-0.1 409,-0.0 -0.791 41.3 154.1 -95.7 111.7 147.4 -41.1 -130.5 31 148 A M - 0 0 18 -2,-0.7 2,-0.3 405,-0.2 57,-0.1 -0.840 54.1 -85.9-126.4 161.8 146.1 -37.8 -131.6 32 149 A P - 0 0 84 0, 0.0 57,-0.3 0, 0.0 2,-0.2 -0.568 52.0-118.4 -70.0 129.7 142.7 -36.7 -132.9 33 150 A S - 0 0 66 -2,-0.3 404,-0.0 1,-0.1 402,-0.0 -0.486 19.6-162.6 -71.9 135.1 142.6 -37.4 -136.7 34 151 A F + 0 0 12 -2,-0.2 -1,-0.1 2,-0.1 401,-0.1 0.308 68.2 92.1 -97.1 6.7 142.1 -34.4 -138.9 35 152 A I S S- 0 0 6 399,-0.1 -2,-0.1 40,-0.0 399,-0.0 -0.907 80.1-124.4-107.2 113.4 141.2 -36.7 -141.9 36 153 A P - 0 0 45 0, 0.0 398,-0.3 0, 0.0 2,-0.2 -0.204 19.6-137.1 -60.1 141.5 137.4 -37.3 -142.2 37 154 A T - 0 0 76 396,-0.1 2,-0.1 1,-0.1 393,-0.1 -0.554 19.7-106.6 -96.8 158.1 135.9 -40.8 -142.2 38 155 A A - 0 0 15 394,-0.3 -1,-0.1 391,-0.2 27,-0.0 -0.447 17.9-149.1 -78.8 158.7 133.2 -42.2 -144.4 39 156 A T S S+ 0 0 131 -2,-0.1 -1,-0.1 390,-0.1 3,-0.0 0.221 75.1 58.4-115.4 14.2 129.8 -42.9 -142.8 40 157 A T S S- 0 0 48 1,-0.1 390,-1.6 25,-0.0 3,-0.5 -0.957 84.7-117.5-137.5 155.2 128.7 -45.8 -144.9 41 158 A P S S+ 0 0 89 0, 0.0 385,-0.1 0, 0.0 -1,-0.1 0.825 114.6 39.3 -63.3 -31.0 130.3 -49.2 -145.5 42 159 A E S S+ 0 0 89 388,-0.1 25,-2.9 23,-0.1 389,-0.1 0.515 84.1 119.7-100.1 -3.7 130.7 -48.6 -149.2 43 160 A G - 0 0 6 -3,-0.5 388,-2.8 23,-0.2 2,-0.5 -0.326 53.6-144.1 -60.8 142.2 131.7 -44.9 -149.2 44 161 A a E +G 64 0C 2 20,-2.8 20,-2.7 23,-0.3 2,-0.6 -0.937 20.9 178.8-119.3 118.2 135.2 -44.4 -150.7 45 162 A T E +G 63 0C 4 -2,-0.5 2,-0.3 387,-0.4 18,-0.2 -0.966 28.9 143.7-113.5 117.2 137.7 -41.8 -149.5 46 163 A R E +G 62 0C 45 16,-2.2 16,-2.8 -2,-0.6 -2,-0.0 -0.919 29.9 47.1-147.2 173.4 140.9 -41.9 -151.5 47 164 A I E - 0 0 30 -2,-0.3 15,-0.2 14,-0.2 -1,-0.2 0.975 63.1-166.2 57.8 68.8 143.8 -40.0 -153.1 48 165 A P E - 0 0 1 0, 0.0 2,-0.3 0, 0.0 13,-0.2 -0.392 10.2-165.7 -82.0 160.8 145.0 -37.7 -150.3 49 166 A S E -G 60 0C 0 11,-1.9 11,-1.7 -2,-0.1 2,-0.4 -0.975 6.4-171.6-145.3 132.2 147.3 -34.7 -150.7 50 167 A F E -G 59 0C 0 -2,-0.3 2,-0.4 9,-0.2 122,-0.3 -0.988 7.8-178.6-136.0 129.9 149.1 -32.9 -147.8 51 168 A S E -G 58 0C 9 7,-2.5 7,-3.1 -2,-0.4 2,-0.4 -0.989 5.0-174.6-128.3 128.4 151.1 -29.7 -147.7 52 169 A L E +G 57 0C 11 -2,-0.4 2,-0.3 5,-0.2 5,-0.2 -0.968 9.4 168.7-124.6 138.9 152.7 -28.3 -144.6 53 170 A T - 0 0 36 3,-2.3 -51,-0.1 -2,-0.4 -42,-0.1 -0.878 51.1 -83.4-141.3 171.2 154.5 -25.0 -144.2 54 171 A K S S+ 0 0 105 -2,-0.3 -52,-0.3 1,-0.2 -45,-0.1 0.876 126.5 30.8 -40.9 -50.4 156.0 -22.6 -141.7 55 172 A T S S- 0 0 50 1,-0.2 -53,-1.6 -54,-0.1 2,-0.3 0.831 127.3 -29.0 -86.2 -34.1 152.6 -21.0 -141.1 56 173 A H - 0 0 22 -55,-0.2 -3,-2.3 22,-0.1 2,-0.3 -0.971 53.5-105.9-167.2-179.2 150.0 -23.8 -141.6 57 174 A W E -GH 52 77C 0 20,-2.8 20,-2.0 -2,-0.3 2,-0.4 -0.903 15.8-154.1-125.5 155.1 149.0 -27.0 -143.4 58 175 A b E -GH 51 76C 0 -7,-3.1 -7,-2.5 -2,-0.3 2,-0.3 -0.974 13.2-176.9-126.5 140.2 146.5 -28.0 -146.1 59 176 A Y E +GH 50 75C 0 16,-2.7 16,-3.4 -2,-0.4 2,-0.3 -0.992 6.8 162.7-139.6 147.4 144.8 -31.3 -146.7 60 177 A T E +GH 49 74C 0 -11,-1.7 -11,-1.9 -2,-0.3 2,-0.3 -0.992 5.3 172.9-159.5 153.1 142.5 -32.8 -149.3 61 178 A H E - H 0 73C 2 12,-1.7 12,-2.3 -2,-0.3 2,-0.3 -0.982 33.7-100.2-158.5 161.2 141.1 -36.1 -150.6 62 179 A N E -GH 46 72C 7 -16,-2.8 -16,-2.2 -2,-0.3 2,-0.5 -0.652 28.4-159.0 -88.7 140.9 138.6 -37.4 -153.0 63 180 A V E -GH 45 71C 22 8,-3.4 8,-2.8 -2,-0.3 2,-0.5 -0.976 9.5-178.8-123.8 125.1 135.2 -38.7 -151.9 64 181 A I E -G 44 0C 41 -20,-2.7 -20,-2.8 -2,-0.5 3,-0.2 -0.989 21.8-143.6-122.7 127.2 133.0 -41.1 -153.9 65 182 A L S S+ 0 0 123 -2,-0.5 2,-0.5 1,-0.2 -1,-0.1 0.842 85.9 31.8 -60.1 -40.3 129.6 -42.1 -152.5 66 183 A N S S- 0 0 76 1,-0.3 -1,-0.2 -23,-0.1 -23,-0.2 -0.842 120.4 -41.3-127.1 100.9 129.4 -45.7 -153.7 67 184 A G 0 0 18 -25,-2.9 -23,-0.3 -2,-0.5 -1,-0.3 0.067 360.0 360.0 74.0 169.8 132.6 -47.7 -154.0 68 185 A a 0 0 81 -25,-0.1 -1,-0.2 -3,-0.1 -25,-0.0 0.300 360.0 360.0 -90.8 360.0 135.9 -46.5 -155.4 69 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 70 191 A S 0 0 44 0, 0.0 29,-0.3 0, 0.0 33,-0.3 0.000 360.0 360.0 360.0 165.1 132.8 -37.4 -156.8 71 192 A N E -H 63 0C 26 -8,-2.8 -8,-3.4 27,-0.1 2,-0.5 -0.856 360.0-133.3-126.1 161.8 133.5 -34.6 -154.3 72 193 A Q E -HI 62 97C 2 25,-2.0 25,-2.8 -2,-0.3 2,-0.4 -0.960 11.9-151.8-124.9 115.6 136.7 -33.2 -153.0 73 194 A F E -HI 61 96C 25 -12,-2.3 -12,-1.7 -2,-0.5 2,-0.4 -0.714 14.6-169.4 -85.9 128.0 137.2 -32.6 -149.2 74 195 A V E +HI 60 95C 0 21,-3.2 21,-2.5 -2,-0.4 2,-0.3 -0.944 6.9 176.5-120.4 142.7 139.5 -29.7 -148.3 75 196 A S E -HI 59 94C 1 -16,-3.4 -16,-2.7 -2,-0.4 2,-0.3 -0.944 3.6-179.0-139.5 156.4 140.9 -29.0 -144.9 76 197 A M E +HI 58 93C 2 17,-1.7 16,-2.8 -2,-0.3 17,-1.4 -0.975 18.8 114.8-159.2 145.6 143.4 -26.5 -143.4 77 198 A G E -HI 57 91C 4 -20,-2.0 -20,-2.8 -2,-0.3 2,-0.2 -0.921 44.9 -80.2-175.1-157.0 144.9 -25.6 -140.0 78 199 A I E - I 0 90C 16 12,-2.1 12,-2.4 -2,-0.3 2,-0.4 -0.772 29.9-114.5-130.3 172.2 147.8 -25.3 -137.7 79 200 A I E + I 0 89C 0 -2,-0.2 -76,-2.4 10,-0.2 10,-0.2 -0.908 34.6 169.2-112.3 137.4 150.0 -27.5 -135.5 80 201 A E E - I 0 88C 60 8,-1.4 8,-0.7 -2,-0.4 2,-0.1 -0.996 33.6-104.2-148.0 146.2 150.1 -27.1 -131.7 81 202 A P E - I 0 87C 31 0, 0.0 2,-0.2 0, 0.0 5,-0.1 -0.383 26.4-147.5 -73.1 145.6 151.5 -29.1 -128.8 82 203 A T > - 0 0 46 4,-1.9 3,-2.0 -2,-0.1 6,-0.0 -0.561 37.0 -96.5-102.0 170.7 149.4 -31.2 -126.4 83 204 A S T 3 S+ 0 0 139 1,-0.3 -1,-0.0 -2,-0.2 0, 0.0 0.628 124.1 62.1 -65.9 -10.4 150.1 -31.7 -122.8 84 205 A A T 3 S- 0 0 70 2,-0.3 -1,-0.3 3,-0.1 0, 0.0 0.555 116.9-114.2 -88.4 -10.2 151.8 -35.0 -123.7 85 206 A G S < S+ 0 0 20 -3,-2.0 328,-0.1 1,-0.4 -2,-0.1 -0.071 81.3 106.8 103.3 -33.0 154.3 -33.1 -125.7 86 207 A F S S- 0 0 38 1,-0.1 -4,-1.9 -5,-0.1 -1,-0.4 -0.384 72.6 -84.6 -83.2 161.9 153.3 -34.4 -129.2 87 208 A P E -I 81 0C 0 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.063 24.6-161.1 -58.1 163.3 151.4 -32.5 -131.9 88 209 A F E -I 80 0C 51 -8,-0.7 -8,-1.4 -57,-0.1 2,-1.1 -0.897 18.6-139.2-148.7 111.1 147.8 -31.9 -132.6 89 210 A F E -I 79 0C 2 -57,-0.3 2,-0.7 -2,-0.3 -10,-0.2 -0.666 23.5-155.7 -78.7 102.2 146.8 -30.9 -136.1 90 211 A R E -I 78 0C 111 -12,-2.4 -12,-2.1 -2,-1.1 2,-0.4 -0.729 4.6-143.0 -86.2 113.4 144.1 -28.3 -135.4 91 212 A T E +I 77 0C 56 -2,-0.7 -14,-0.3 -14,-0.2 3,-0.1 -0.625 22.7 174.5 -77.3 127.5 141.6 -27.8 -138.2 92 213 A L E + 0 0 53 -16,-2.8 2,-0.3 -2,-0.4 -15,-0.2 0.511 67.0 15.1-109.7 -11.5 140.6 -24.2 -138.6 93 214 A K E -I 76 0C 34 -17,-1.4 -17,-1.7 2,-0.0 -1,-0.3 -0.962 60.0-163.2-162.2 146.7 138.5 -24.5 -141.7 94 215 A T E -I 75 0C 80 -2,-0.3 2,-0.3 -19,-0.2 -19,-0.2 -0.933 7.0-175.9-132.1 151.9 136.8 -27.2 -143.7 95 216 A L E -I 74 0C 15 -21,-2.5 -21,-3.2 -2,-0.3 2,-0.4 -0.992 12.2-161.9-148.4 146.9 135.5 -27.2 -147.3 96 217 A Y E -I 73 0C 104 -2,-0.3 2,-1.2 -23,-0.2 -23,-0.2 -0.897 11.1-153.6-134.8 102.5 133.6 -29.8 -149.4 97 218 A L E +I 72 0C 25 -25,-2.8 -25,-2.0 -2,-0.4 2,-0.4 -0.659 34.5 152.5 -79.0 99.0 133.7 -29.1 -153.1 98 219 A S + 0 0 66 -2,-1.2 -27,-0.1 -27,-0.2 4,-0.1 -0.891 18.9 115.0-131.8 98.9 130.5 -30.9 -154.2 99 220 A D S S- 0 0 97 -2,-0.4 -1,-0.1 -29,-0.3 3,-0.1 0.234 88.6 -85.5-153.2 18.9 128.9 -29.4 -157.3 100 221 A G S S+ 0 0 78 -30,-0.3 2,-0.7 1,-0.2 -29,-0.1 0.273 89.4 120.6 93.1 -16.0 128.9 -31.9 -160.1 101 222 A V - 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