==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 14-JUL-10 3NXP . COMPND 2 MOLECULE: PRETHROMBIN-1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR Z.CHEN,L.A.BUSH-PELC,E.DI CERA . 388 3 7 7 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17737.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 218 56.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 1.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 83 21.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.8 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 . 3 0.8 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 . 24 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 44 11.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 38 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.3 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 1 0 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 0 PARALLEL BRIDGES PER LADDER . 7 4 3 2 3 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 ANTIPARALLEL BRIDGES PER LADDER . 1 1 0 0 0 1 0 1 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 1 169 A Q 0 0 229 0, 0.0 77,-0.1 0, 0.0 79,-0.1 0.000 360.0 360.0 360.0 -50.9 26.5 -39.0 7.3 2 170 A a - 0 0 55 1,-0.1 77,-0.2 77,-0.1 78,-0.1 -0.116 360.0-103.9 -55.6 150.0 24.1 -36.3 8.6 3 171 A V B -a 79 0A 30 75,-2.3 77,-2.5 1,-0.0 3,-0.3 -0.657 40.9-154.8 -81.3 121.7 24.9 -34.6 11.9 4 172 A P > > + 0 0 63 0, 0.0 3,-1.6 0, 0.0 5,-0.6 -0.404 63.4 32.0 -93.9 171.8 22.7 -35.9 14.8 5 173 A D G > 5S- 0 0 95 1,-0.3 3,-1.7 2,-0.2 5,-0.1 0.764 123.5 -71.4 57.7 34.0 21.6 -34.3 18.1 6 174 A R G 3 5S- 0 0 15 -3,-0.3 -1,-0.3 1,-0.3 51,-0.1 0.817 95.3 -56.7 49.4 34.3 21.4 -30.8 16.7 7 175 A G G X 5S+ 0 0 1 -3,-1.6 3,-0.9 53,-0.2 46,-0.5 0.621 100.5 133.0 80.2 14.4 25.2 -30.9 16.6 8 176 A Q T < 5S+ 0 0 79 -3,-1.7 -3,-0.1 -4,-0.3 -2,-0.1 0.697 79.0 43.0 -70.7 -19.0 25.8 -31.6 20.4 9 177 A Q T 3 - 0 0 10 4,-2.1 3,-2.1 -2,-0.3 58,-0.3 -0.263 38.1 -93.0 -82.1 172.3 28.3 -18.6 10.8 18 186 A T T 3 S+ 0 0 44 56,-2.8 57,-0.1 1,-0.3 -1,-0.1 0.680 126.9 50.2 -56.4 -21.4 25.7 -19.1 8.1 19 187 A H T 3 S- 0 0 91 55,-0.3 -1,-0.3 2,-0.1 56,-0.1 0.112 124.7 -96.8-113.6 19.4 26.1 -15.4 7.2 20 188 A G S < S+ 0 0 50 -3,-2.1 -2,-0.1 1,-0.2 0, 0.0 0.593 71.9 148.1 81.5 14.5 29.9 -15.3 7.0 21 189 A L - 0 0 80 1,-0.0 -4,-2.1 44,-0.0 -1,-0.2 -0.716 49.2-123.6 -84.5 121.9 30.6 -14.0 10.5 22 190 A P B -B 16 0B 91 0, 0.0 44,-0.5 0, 0.0 -6,-0.2 -0.429 28.6-118.6 -63.5 132.8 34.0 -15.3 11.9 23 191 A b B -C 65 0C 6 -8,-2.9 2,-0.3 26,-0.2 42,-0.2 -0.409 23.4-126.5 -67.2 147.1 33.4 -17.1 15.2 24 192 A L - 0 0 43 40,-3.0 40,-0.3 -2,-0.1 2,-0.2 -0.686 35.6 -92.6 -89.9 155.0 35.2 -15.6 18.2 25 193 A A > - 0 0 42 -2,-0.3 3,-2.1 1,-0.1 24,-0.3 -0.462 30.1-127.9 -67.9 136.4 37.4 -17.9 20.2 26 194 A W T 3 S+ 0 0 12 22,-2.7 -1,-0.1 1,-0.3 23,-0.1 0.788 111.3 47.7 -58.2 -31.7 35.5 -19.4 23.1 27 195 A A T 3 S+ 0 0 76 21,-0.4 -1,-0.3 19,-0.1 5,-0.1 0.509 93.7 124.3 -80.9 -6.1 38.2 -18.2 25.6 28 196 A S S X> S- 0 0 34 -3,-2.1 3,-1.7 3,-0.1 4,-0.6 0.199 77.2 -81.7 -63.8 176.1 38.2 -14.7 24.1 29 197 A A H >> S+ 0 0 81 1,-0.3 4,-1.1 2,-0.2 3,-0.6 0.837 126.4 21.6 -45.7 -63.8 37.7 -11.2 25.7 30 198 A Q H 34 S+ 0 0 67 1,-0.2 40,-0.3 2,-0.2 -1,-0.3 0.108 115.6 71.2 -95.5 20.9 33.9 -10.9 25.8 31 199 A A H <4 S+ 0 0 5 -3,-1.7 -2,-0.2 -6,-0.1 -1,-0.2 0.374 113.9 24.0-106.2 -3.0 33.6 -14.7 25.7 32 200 A K H << S+ 0 0 111 -3,-0.6 -2,-0.2 -4,-0.6 -3,-0.1 0.510 127.2 43.8-131.5 -22.7 34.9 -15.1 29.2 33 201 A A S < S+ 0 0 83 -4,-1.1 -3,-0.2 -5,-0.3 -4,-0.1 0.624 132.6 18.9-101.6 -20.3 34.2 -11.7 30.9 34 202 A L S S+ 0 0 118 -5,-0.1 -4,-0.1 1,-0.0 -1,-0.1 -0.099 120.7 61.8-139.8 34.1 30.6 -11.3 29.6 35 203 A S S S+ 0 0 5 3,-0.0 -2,-0.1 34,-0.0 -5,-0.0 -0.061 77.8 79.2-152.9 38.5 29.8 -14.9 28.6 36 204 A K + 0 0 131 -3,-0.1 4,-0.1 3,-0.0 -3,-0.0 0.463 68.3 83.5-123.1 -11.1 30.0 -17.0 31.8 37 205 A H S S+ 0 0 208 2,-0.1 2,-0.3 0, 0.0 -2,-0.0 0.687 79.4 87.9 -59.8 -20.7 26.6 -16.1 33.3 38 206 A Q S S- 0 0 45 1,-0.0 2,-0.7 345,-0.0 -3,-0.0 -0.660 83.9-124.0 -89.0 138.0 25.2 -18.9 31.1 39 207 A D - 0 0 158 -2,-0.3 2,-0.2 16,-0.1 -2,-0.1 -0.716 34.6-172.5 -87.6 110.7 25.1 -22.5 32.2 40 208 A F - 0 0 56 -2,-0.7 2,-0.6 -4,-0.1 15,-0.2 -0.587 27.1-113.6-100.7 161.3 26.9 -24.8 29.8 41 209 A N > - 0 0 74 13,-2.1 3,-1.4 -2,-0.2 15,-0.1 -0.869 18.8-151.0 -95.9 121.1 27.3 -28.6 29.5 42 210 A S T 3 S+ 0 0 106 -2,-0.6 -1,-0.1 1,-0.3 4,-0.1 0.754 89.1 72.5 -66.5 -28.4 30.9 -29.6 30.2 43 211 A A T 3 S+ 0 0 77 11,-0.1 2,-0.4 2,-0.1 -1,-0.3 0.726 86.1 80.1 -57.9 -23.9 30.7 -32.8 27.9 44 212 A V S < S- 0 0 13 -3,-1.4 2,-0.6 10,-0.1 -35,-0.1 -0.744 84.2-136.2 -85.7 136.7 30.8 -30.3 25.0 45 213 A Q - 0 0 119 -2,-0.4 2,-1.7 2,-0.0 -2,-0.1 -0.847 4.8-151.6-107.3 113.7 34.3 -29.1 24.3 46 214 A L + 0 0 68 -2,-0.6 2,-0.4 -4,-0.1 -19,-0.1 -0.588 29.7 179.5 -88.6 82.2 34.7 -25.4 23.6 47 215 A V > - 0 0 58 -2,-1.7 3,-2.7 3,-0.1 -21,-0.1 -0.712 46.1 -56.2 -99.4 130.8 37.7 -25.6 21.3 48 216 A E T 3 S- 0 0 121 -2,-0.4 -22,-2.7 1,-0.3 -21,-0.4 -0.111 109.9 -36.5 44.7-122.4 39.4 -22.6 19.7 49 217 A N T 3 S+ 0 0 45 -24,-0.3 2,-0.3 -23,-0.1 -1,-0.3 -0.144 96.4 141.6-117.0 37.7 36.7 -20.7 17.7 50 218 A F < - 0 0 13 -3,-2.7 -35,-0.2 1,-0.1 12,-0.1 -0.566 58.9-104.0 -87.4 139.2 34.8 -23.8 16.5 51 219 A c + 0 0 0 -37,-3.2 2,-0.3 -2,-0.3 12,-0.2 -0.353 52.3 165.6 -58.5 137.5 30.9 -23.9 16.3 52 220 A R B -D 62 0D 8 10,-2.0 10,-2.5 8,-0.1 -44,-0.1 -0.960 39.6-135.3-151.5 159.0 29.5 -25.9 19.2 53 221 A N > + 0 0 0 -46,-0.5 3,-0.5 -2,-0.3 8,-0.1 -0.740 38.7 152.6-122.0 81.7 26.2 -26.5 20.9 54 222 A P T 3 + 0 0 2 0, 0.0 -13,-2.1 0, 0.0 -10,-0.1 0.519 67.6 51.7 -90.5 -3.4 26.9 -26.3 24.6 55 223 A D T 3 S- 0 0 12 -15,-0.2 -16,-0.1 -3,-0.1 -15,-0.0 0.114 111.1-102.6-123.5 20.4 23.5 -25.1 25.8 56 224 A G < + 0 0 34 -3,-0.5 2,-0.5 1,-0.2 323,-0.1 0.826 53.3 179.8 63.4 34.2 21.0 -27.6 24.3 57 225 A D > - 0 0 1 1,-0.2 3,-0.9 3,-0.2 -1,-0.2 -0.566 24.4-151.1 -72.1 114.8 20.0 -25.1 21.6 58 226 A E T 3 S+ 0 0 58 -2,-0.5 -1,-0.2 1,-0.2 319,-0.1 0.723 95.1 63.1 -57.8 -23.8 17.4 -26.8 19.4 59 227 A E T 3 S- 0 0 1 317,-0.5 2,-0.3 1,-0.3 -1,-0.2 0.844 108.7-127.9 -71.7 -36.4 18.6 -24.6 16.5 60 228 A G < + 0 0 0 -3,-0.9 -1,-0.3 316,-0.1 -53,-0.2 -0.851 50.8 4.0 129.4-160.3 22.0 -26.2 16.6 61 229 A V + 0 0 0 -2,-0.3 14,-1.7 14,-0.1 2,-0.3 -0.278 63.0 164.8 -64.2 148.5 25.7 -25.3 16.8 62 230 A W E -DE 52 74D 0 -10,-2.5 -10,-2.0 12,-0.3 2,-0.3 -0.909 18.8-155.2-151.4 173.5 26.6 -21.6 17.2 63 231 A b E - E 0 73D 0 10,-2.3 10,-2.4 -2,-0.3 2,-0.1 -0.984 30.0 -94.7-154.7 155.9 29.4 -19.3 18.2 64 232 A Y E - E 0 72D 7 -40,-0.3 -40,-3.0 -2,-0.3 8,-0.3 -0.402 42.4-164.8 -63.2 143.0 30.1 -15.8 19.5 65 233 A V B -C 23 0C 9 6,-2.1 6,-0.2 -42,-0.2 -42,-0.1 -0.933 28.8 -83.8-131.0 156.2 30.7 -13.1 16.9 66 234 A A S S+ 0 0 74 -44,-0.5 2,-0.3 -2,-0.3 -1,-0.0 -0.217 88.3 68.4 -51.1 146.2 32.1 -9.5 16.9 67 235 A G S S+ 0 0 55 4,-0.1 3,-0.1 0, 0.0 -1,-0.0 -0.995 93.9 1.5 143.1-136.9 29.5 -6.8 17.8 68 236 A K S > S- 0 0 101 -2,-0.3 3,-2.4 1,-0.1 -3,-0.2 -0.477 94.8 -75.8 -79.5 152.2 27.9 -6.2 21.2 69 237 A P T 3 S+ 0 0 65 0, 0.0 -1,-0.1 0, 0.0 -38,-0.1 -0.280 122.3 18.8 -47.8 118.5 28.8 -8.4 24.3 70 238 A G T 3 S+ 0 0 14 -40,-0.3 317,-0.1 1,-0.3 -4,-0.1 0.360 85.5 151.1 96.2 -4.4 27.0 -11.8 23.8 71 239 A D < + 0 0 31 -3,-2.4 -6,-2.1 -6,-0.2 -1,-0.3 -0.358 17.8 162.1 -60.6 140.5 26.4 -11.4 20.1 72 240 A F E -E 64 0D 27 -8,-0.3 2,-0.3 -49,-0.1 -8,-0.2 -0.965 23.2-160.1-154.4 164.2 26.3 -14.8 18.4 73 241 A G E -E 63 0D 3 -10,-2.4 -10,-2.3 -2,-0.3 2,-0.3 -0.930 25.7-106.0-143.5 168.4 25.2 -16.6 15.2 74 242 A Y E -E 62 0D 1 -2,-0.3 -56,-2.8 -12,-0.2 -55,-0.3 -0.708 29.3-131.9 -98.2 151.2 24.5 -20.2 14.0 75 243 A c - 0 0 0 -14,-1.7 2,-1.1 -58,-0.3 -58,-0.2 -0.686 22.4-107.1-103.3 155.5 26.7 -22.3 11.8 76 244 A D + 0 0 107 -60,-0.4 2,-0.3 -2,-0.3 -16,-0.0 -0.661 49.5 156.2 -91.7 95.5 25.8 -24.3 8.7 77 245 A L - 0 0 23 -2,-1.1 2,-1.9 -16,-0.1 -75,-0.0 -0.874 50.4-114.0-113.8 152.1 25.8 -28.1 9.4 78 246 A N - 0 0 106 -2,-0.3 -75,-2.3 -77,-0.1 3,-0.1 -0.516 44.0-167.3 -84.9 72.6 24.0 -30.8 7.6 79 247 A Y B -a 3 0A 26 -2,-1.9 -77,-0.1 -77,-0.2 3,-0.1 -0.229 30.3 -95.5 -58.6 145.1 21.7 -31.8 10.4 80 248 A a - 0 0 38 -77,-2.5 2,-0.2 1,-0.1 -1,-0.1 -0.392 47.7-102.1 -59.1 136.0 19.7 -35.1 10.2 81 249 A E - 0 0 118 -3,-0.1 2,-0.5 -2,-0.1 -1,-0.1 -0.462 42.2-155.6 -60.4 130.9 16.2 -34.4 8.9 82 250 A E - 0 0 59 -2,-0.2 2,-1.4 -3,-0.1 3,-0.2 -0.946 12.9-149.7-122.2 114.4 13.9 -34.5 11.9 83 251 A A + 0 0 56 -2,-0.5 231,-0.0 1,-0.2 -2,-0.0 -0.683 18.0 176.6 -81.3 93.0 10.2 -35.2 11.7 84 252 A V + 0 0 2 -2,-1.4 2,-1.5 230,-0.3 -1,-0.2 0.847 69.4 79.4 -62.7 -34.7 8.9 -33.2 14.6 85 253 A E 0 0 38 -3,-0.2 -1,-0.2 179,-0.1 216,-0.2 -0.618 360.0 360.0 -76.9 90.1 5.5 -34.3 13.4 86 254 A E 0 0 132 -2,-1.5 -2,-0.1 175,-0.2 -1,-0.0 -0.436 360.0 360.0 -91.7 360.0 5.6 -37.8 14.9 87 ! 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 88 274 A T 0 0 207 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 171.5 -4.6 -27.2 38.0 89 275 A S - 0 0 32 2,-0.1 2,-0.4 259,-0.0 258,-0.1 -0.805 360.0-129.3-142.0 98.4 -2.8 -26.9 34.7 90 276 A E + 0 0 176 -2,-0.3 2,-0.3 256,-0.3 256,-0.0 -0.250 53.2 130.0 -58.5 102.7 0.7 -28.5 34.4 91 277 A Y - 0 0 40 -2,-0.4 2,-0.4 14,-0.0 -2,-0.1 -0.981 35.4-159.5-151.7 140.9 3.2 -26.0 33.0 92 278 A Q - 0 0 174 -2,-0.3 2,-0.4 12,-0.0 -2,-0.0 -0.990 26.5-110.0-128.9 142.5 6.6 -24.7 34.1 93 279 A T - 0 0 76 -2,-0.4 12,-0.0 1,-0.1 -2,-0.0 -0.505 25.3-178.5 -80.7 122.4 8.4 -21.5 33.2 94 280 A F + 0 0 76 -2,-0.4 2,-0.2 2,-0.1 -1,-0.1 0.764 62.0 62.6 -84.6 -32.3 11.4 -21.6 30.9 95 281 A F S S- 0 0 8 6,-0.1 9,-0.1 1,-0.0 287,-0.0 -0.622 88.3-102.4-102.5 157.7 12.4 -17.8 30.8 96 282 A N >> - 0 0 84 -2,-0.2 4,-3.4 1,-0.2 3,-1.7 -0.698 26.6-147.3 -74.3 115.3 13.6 -15.3 33.4 97 283 A P H 3> S+ 0 0 81 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.791 95.7 65.5 -53.5 -30.9 10.5 -13.2 34.2 98 284 A A H 34 S+ 0 0 39 1,-0.2 4,-0.1 2,-0.2 -2,-0.0 0.759 118.5 22.4 -68.0 -24.6 12.8 -10.2 34.8 99 285 A T H <4 S+ 0 0 9 -3,-1.7 -1,-0.2 2,-0.2 3,-0.1 0.682 128.1 47.4-107.5 -30.7 13.8 -10.2 31.1 100 286 A F H < S- 0 0 4 -4,-3.4 70,-0.5 1,-0.2 71,-0.3 0.782 103.4-135.5 -77.6 -26.4 10.8 -12.0 29.6 101 287 A G < - 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