==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=16-AUG-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 15-NOV-12 4HZH . COMPND 2 MOLECULE: PROTHROMBIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR N.POZZI,W.NIU,D.W.GOHARA,Z.CHEN,E.DI CERA . 860 5 16 16 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 41717.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 456 53.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 8 0.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 158 18.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 6 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 5 0.6 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 . 98 11.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 78 9.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 59 6.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 11 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 2 1 1 2 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 11 12 5 6 6 1 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 . 4 2 1 0 0 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 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 0 241 0, 0.0 77,-0.1 0, 0.0 79,-0.0 0.000 360.0 360.0 360.0 -39.5 -7.1 -40.3 -26.1 2 170 A a - 0 0 49 1,-0.1 77,-0.2 77,-0.1 78,-0.1 -0.255 360.0 -76.9 -66.1 161.5 -3.9 -38.9 -24.6 3 171 A V B -a 79 0A 20 75,-3.8 77,-2.1 1,-0.0 3,-0.2 -0.466 55.1-166.8 -70.1 121.4 -2.2 -40.8 -21.7 4 172 A P > + 0 0 68 0, 0.0 3,-1.3 0, 0.0 5,-0.4 -0.394 60.8 26.9 -96.6 175.6 -4.0 -40.2 -18.3 5 173 A D T 3 S- 0 0 85 1,-0.3 3,-0.3 2,-0.1 55,-0.1 0.518 122.9 -75.2 55.4 8.9 -3.1 -41.0 -14.7 6 174 A R T 3 S- 0 0 10 -3,-0.2 -1,-0.3 1,-0.2 54,-0.2 0.976 86.8 -55.6 60.3 59.6 0.6 -40.7 -15.7 7 175 A G S X S+ 0 0 0 -3,-1.3 3,-0.5 1,-0.1 46,-0.4 0.479 101.0 123.0 65.1 9.3 1.0 -44.0 -17.5 8 176 A Q T 3 S+ 0 0 56 -3,-0.3 -1,-0.1 -4,-0.3 45,-0.1 0.730 81.8 42.2 -73.9 -21.3 -0.2 -46.3 -14.6 9 177 A Q T 3 S+ 0 0 136 -5,-0.4 2,-0.3 35,-0.1 -1,-0.2 0.417 88.1 121.3-100.7 -2.8 -2.9 -47.8 -16.9 10 178 A Y < + 0 0 29 -3,-0.5 43,-0.1 -6,-0.2 35,-0.1 -0.481 17.5 151.9 -73.2 124.9 -0.7 -48.0 -20.0 11 179 A Q + 0 0 80 -2,-0.3 -1,-0.1 41,-0.1 3,-0.1 0.269 36.0 121.8-129.2 4.9 -0.2 -51.5 -21.5 12 180 A G S S- 0 0 34 1,-0.1 2,-0.9 38,-0.0 -2,-0.0 0.018 72.8 -81.5 -64.9 175.5 0.4 -50.5 -25.2 13 181 A R S S+ 0 0 199 37,-0.1 2,-0.2 2,-0.0 -1,-0.1 -0.740 78.6 105.0 -95.7 104.7 3.5 -51.4 -27.2 14 182 A L + 0 0 72 -2,-0.9 37,-1.2 -3,-0.1 61,-0.1 -0.630 27.0 170.2-171.8 118.0 6.6 -49.2 -26.7 15 183 A A + 0 0 21 35,-0.2 8,-1.2 -2,-0.2 2,-0.3 -0.410 45.9 85.7-135.0 58.6 9.7 -50.2 -24.7 16 184 A V B -B 22 0B 62 6,-0.2 60,-0.2 1,-0.1 35,-0.1 -0.959 69.7 -99.6-146.9 166.6 12.5 -47.7 -25.2 17 185 A T - 0 0 14 4,-1.6 58,-0.3 -2,-0.3 59,-0.2 0.113 31.4-106.5 -75.3-173.8 13.6 -44.3 -23.7 18 186 A T S S+ 0 0 39 56,-1.6 57,-0.1 57,-0.2 -1,-0.1 0.789 122.5 46.1 -76.9 -35.2 13.1 -40.7 -24.7 19 187 A H S S- 0 0 93 55,-0.3 -1,-0.1 2,-0.1 56,-0.1 0.485 125.9 -95.5 -92.8 -6.1 16.8 -40.6 -25.7 20 188 A G S S+ 0 0 57 1,-0.2 -2,-0.1 0, 0.0 55,-0.0 0.881 71.0 142.2 98.2 49.1 16.8 -43.9 -27.6 21 189 A L - 0 0 89 44,-0.0 -4,-1.6 0, 0.0 -1,-0.2 -0.937 51.9-101.7-126.8 142.8 18.1 -46.6 -25.2 22 190 A P B -B 16 0B 79 0, 0.0 44,-1.0 0, 0.0 2,-0.7 -0.369 30.2-128.2 -68.9 132.5 17.0 -50.3 -24.8 23 191 A b E -C 65 0C 10 -8,-1.2 42,-0.2 42,-0.2 2,-0.1 -0.705 17.9-138.7 -82.3 113.8 14.7 -51.3 -21.9 24 192 A L E -C 64 0C 47 40,-2.9 40,-0.5 -2,-0.7 4,-0.0 -0.466 34.5 -98.6 -63.3 141.6 16.0 -54.2 -19.8 25 193 A A > - 0 0 35 -2,-0.1 3,-1.0 1,-0.1 24,-0.3 -0.188 17.5-127.9 -62.0 154.1 13.2 -56.6 -18.9 26 194 A W T 3 S+ 0 0 28 22,-2.1 23,-0.1 1,-0.2 -1,-0.1 0.713 113.6 52.5 -74.6 -22.0 11.5 -56.4 -15.5 27 195 A A T 3 S+ 0 0 79 21,-0.7 -1,-0.2 19,-0.1 2,-0.1 0.174 89.9 120.1 -95.6 15.2 12.3 -60.1 -15.1 28 196 A S S <> S- 0 0 21 -3,-1.0 4,-1.3 4,-0.1 5,-0.2 -0.401 77.0 -98.8 -85.9 162.5 16.0 -59.6 -15.9 29 197 A A H >>S+ 0 0 77 1,-0.2 4,-1.4 2,-0.2 5,-0.7 0.819 116.5 25.5 -49.2 -58.3 18.9 -60.3 -13.6 30 198 A Q H 4>S+ 0 0 61 1,-0.2 5,-1.8 2,-0.2 -1,-0.2 0.787 120.1 57.5 -80.7 -30.3 19.8 -57.0 -12.0 31 199 A A H 45S+ 0 0 10 -6,-0.2 -2,-0.2 3,-0.2 -1,-0.2 0.629 120.6 31.2 -72.3 -14.6 16.3 -55.6 -12.4 32 200 A K H <5S+ 0 0 95 -4,-1.3 -2,-0.2 -3,-0.1 -3,-0.2 0.801 127.5 26.3-102.3 -78.6 15.1 -58.6 -10.4 33 201 A A T <5S+ 0 0 86 -4,-1.4 -3,-0.2 -5,-0.2 3,-0.1 0.813 133.2 32.7 -63.9 -35.6 17.5 -59.9 -7.7 34 202 A L T - 0 0 71 13,-1.9 3,-0.8 1,-0.1 -1,-0.1 -0.886 18.9-159.6-102.7 123.6 2.6 -51.4 -6.7 42 210 A S T 3 S+ 0 0 107 -2,-0.6 -1,-0.1 1,-0.2 4,-0.1 0.002 78.7 82.1 -89.4 27.5 1.2 -54.7 -7.8 43 211 A A T 3 S+ 0 0 75 11,-0.1 2,-0.4 2,-0.1 -1,-0.2 0.690 75.7 76.9 -99.0 -27.9 -1.6 -53.1 -9.7 44 212 A V S < S- 0 0 8 -3,-0.8 2,-0.2 10,-0.1 -35,-0.1 -0.727 90.3-112.9 -89.5 131.4 0.4 -52.4 -12.9 45 213 A Q - 0 0 114 -2,-0.4 2,-0.4 1,-0.1 -2,-0.1 -0.442 19.3-150.5 -62.7 129.5 1.1 -55.2 -15.3 46 214 A L + 0 0 105 -2,-0.2 -20,-0.2 -4,-0.1 -1,-0.1 -0.240 29.7 178.0-100.2 45.4 4.8 -56.0 -15.3 47 215 A V > - 0 0 53 -2,-0.4 3,-2.2 2,-0.1 -21,-0.1 -0.235 48.2 -64.0 -65.7 127.1 4.9 -57.2 -18.9 48 216 A E T 3 S- 0 0 126 1,-0.3 -22,-2.1 -23,-0.1 -21,-0.7 -0.068 106.4 -38.0 45.2-102.1 8.1 -58.3 -20.5 49 217 A N T 3 S+ 0 0 42 -24,-0.3 -1,-0.3 -23,-0.1 -2,-0.1 0.079 93.6 143.7-139.4 19.5 10.2 -55.1 -20.7 50 218 A F < - 0 0 13 -3,-2.2 2,-0.2 1,-0.1 -35,-0.2 -0.325 61.0 -98.3 -65.9 142.8 7.4 -52.6 -21.5 51 219 A c + 0 0 0 -37,-1.2 2,-0.3 10,-0.1 12,-0.2 -0.469 57.9 161.2 -63.3 124.8 7.6 -49.1 -19.9 52 220 A R B -D 62 0C 2 10,-1.6 10,-2.4 -2,-0.2 -44,-0.1 -0.823 41.9-125.3-136.9 176.4 5.4 -49.0 -16.8 53 221 A N + 0 0 1 -46,-0.4 3,-0.4 -2,-0.3 8,-0.1 -0.597 37.3 156.5-128.7 73.6 4.9 -46.9 -13.7 54 222 A P S S+ 0 0 3 0, 0.0 -13,-1.9 0, 0.0 -11,-0.1 0.647 80.1 42.6 -76.6 -17.1 5.0 -49.2 -10.6 55 223 A D S S- 0 0 18 -15,-0.2 -2,-0.1 2,-0.0 -16,-0.0 0.501 111.7-117.3-101.3 -7.6 6.0 -46.5 -8.1 56 224 A G - 0 0 18 -3,-0.4 2,-0.3 1,-0.2 326,-0.1 0.953 38.1-163.7 70.5 52.5 3.6 -44.0 -9.5 57 225 A D > - 0 0 0 3,-0.4 3,-1.4 1,-0.1 -1,-0.2 -0.531 22.3-138.2 -72.4 129.8 6.1 -41.4 -10.7 58 226 A E T 3 S+ 0 0 53 321,-0.3 -1,-0.1 -2,-0.3 322,-0.1 0.519 105.7 59.1 -64.8 -5.6 4.7 -38.0 -11.4 59 227 A E T 3 S- 0 0 3 320,-0.3 2,-0.3 1,-0.3 -1,-0.3 0.674 109.8-127.2 -95.8 -24.8 7.0 -38.0 -14.4 60 228 A G < + 0 0 0 -3,-1.4 -3,-0.4 -54,-0.2 -1,-0.3 -0.859 50.0 2.6 124.4-151.1 5.4 -41.1 -15.9 61 229 A V + 0 0 0 -2,-0.3 14,-1.4 14,-0.3 2,-0.3 -0.421 60.8 162.2 -78.2 152.8 6.4 -44.6 -17.2 62 230 A W E -DE 52 74C 0 -10,-2.4 -10,-1.6 12,-0.2 2,-0.3 -0.890 19.9-155.1-154.6 179.3 10.0 -45.8 -17.2 63 231 A b E - E 0 73C 0 10,-1.9 10,-3.1 -2,-0.3 2,-0.3 -0.968 32.4 -95.2-156.2 162.7 12.4 -48.8 -17.4 64 232 A Y E -CE 24 72C 25 -40,-0.5 -40,-2.9 -2,-0.3 8,-0.3 -0.689 45.4-149.2 -80.5 139.6 15.8 -50.0 -16.4 65 233 A V E -C 23 0C 16 6,-1.9 2,-0.6 -2,-0.3 5,-0.2 -0.776 25.9 -85.3-116.8 157.3 18.4 -49.5 -19.1 66 234 A A S S+ 0 0 77 -44,-1.0 2,-0.3 -2,-0.3 6,-0.1 -0.430 90.4 71.4 -64.4 105.3 21.6 -51.3 -20.2 67 235 A G S S- 0 0 49 -2,-0.6 3,-0.1 4,-0.1 -3,-0.0 -0.902 94.7 -7.2-177.6-155.1 24.4 -49.8 -18.0 68 236 A K S > S- 0 0 140 -2,-0.3 3,-1.9 1,-0.1 -3,-0.1 -0.531 94.0 -93.0 -62.2 111.3 25.7 -49.8 -14.5 69 237 A P T 3 S+ 0 0 77 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 0.079 113.4 37.6 -37.9 124.1 22.8 -51.8 -12.7 70 238 A G T 3 S+ 0 0 13 1,-0.5 320,-0.1 -5,-0.2 321,-0.1 -0.129 80.7 125.2 122.8 -35.3 20.3 -49.3 -11.3 71 239 A D < - 0 0 49 -3,-1.9 -6,-1.9 -6,-0.2 -1,-0.5 -0.265 39.3-174.9 -57.4 141.0 20.3 -46.8 -14.1 72 240 A F E -E 64 0C 21 -8,-0.3 2,-0.3 -3,-0.1 -8,-0.3 -0.956 14.4-147.9-144.3 157.1 16.9 -46.1 -15.6 73 241 A G E -E 63 0C 4 -10,-3.1 -10,-1.9 -2,-0.3 2,-0.2 -0.968 13.4-127.9-135.1 146.5 15.1 -44.2 -18.4 74 242 A Y E -E 62 0C 0 -2,-0.3 -56,-1.6 -12,-0.2 2,-0.5 -0.625 24.4-132.5 -89.1 148.9 11.8 -42.4 -19.1 75 243 A c - 0 0 0 -14,-1.4 2,-1.0 -58,-0.3 -14,-0.3 -0.890 19.0-117.9-112.9 125.6 9.8 -43.2 -22.2 76 244 A D + 0 0 111 -2,-0.5 2,-0.3 -59,-0.2 -60,-0.0 -0.443 50.0 159.9 -65.6 97.1 8.3 -40.5 -24.5 77 245 A L - 0 0 33 -2,-1.0 2,-1.5 -16,-0.1 -75,-0.0 -0.768 50.5-100.0-116.4 166.5 4.6 -41.0 -24.3 78 246 A N - 0 0 100 -2,-0.3 -75,-3.8 -77,-0.1 -2,-0.1 -0.552 49.3-177.2 -89.1 74.0 1.6 -38.7 -25.0 79 247 A Y B -a 3 0A 31 -2,-1.5 2,-0.4 -77,-0.2 -77,-0.1 -0.257 27.3-111.7 -71.3 156.2 0.6 -37.5 -21.5 80 248 A a - 0 0 40 -77,-2.1 2,-1.1 -78,-0.1 -1,-0.1 -0.749 37.2-101.5 -90.9 137.4 -2.4 -35.2 -20.8 81 249 A E - 0 0 97 -2,-0.4 2,-1.5 1,-0.1 -1,-0.1 -0.384 38.6-170.0 -61.9 94.5 -1.6 -31.7 -19.6 82 250 A E - 0 0 70 -2,-1.1 2,-0.2 2,-0.0 -1,-0.1 -0.577 13.5-151.6 -90.8 72.8 -2.3 -32.1 -15.9 83 251 A A - 0 0 24 -2,-1.5 235,-0.1 1,-0.2 -2,-0.0 -0.255 6.5-156.4 -50.4 107.9 -2.2 -28.4 -15.0 84 252 A V S S+ 0 0 5 233,-0.3 2,-0.5 -2,-0.2 -1,-0.2 0.623 76.4 71.7 -61.9 -12.5 -1.0 -28.4 -11.4 85 253 A E 0 0 38 179,-0.1 -2,-0.1 180,-0.0 219,-0.1 -0.926 360.0 360.0-117.9 127.0 -2.7 -25.0 -11.1 86 254 A E 0 0 199 -2,-0.5 -2,-0.0 175,-0.1 217,-0.0 -0.969 360.0 360.0-142.9 360.0 -6.5 -24.2 -11.1 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 0 190 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-148.1 5.1 -28.4 16.8 89 275 A S - 0 0 38 2,-0.0 261,-0.1 262,-0.0 260,-0.0 -0.871 360.0-130.2-138.9 101.1 5.5 -27.7 13.0 90 276 A E + 0 0 155 -2,-0.3 2,-0.3 259,-0.2 262,-0.1 0.021 36.2 152.8 -68.3 156.2 4.7 -30.9 11.2 91 277 A Y - 0 0 49 2,-0.0 2,-0.4 14,-0.0 14,-0.1 -0.917 25.9-146.9-168.5 151.5 6.6 -32.8 8.4 92 278 A Q - 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