==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=11-MAR-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 15-NOV-09 3KP8 . COMPND 2 MOLECULE: VKORC1/THIOREDOXIN DOMAIN PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: SYNECHOCOCCUS SP.; . AUTHOR W.LI,S.SCHULMAN,R.J.DUTTON,D.BOYD,J.BECKWITH,T.A.RAPOPORT . 94 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 5147.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 62 66.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 4.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 9 9.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 1.1 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 . 3 3.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 15 16.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 28 29.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 3.2 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 0 1 0 0 1 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 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 0 0 0 PARALLEL BRIDGES PER LADDER . 0 0 1 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 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 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 1 186 A S > 0 0 89 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 126.3 11.8 11.6 14.7 2 187 A P H > + 0 0 119 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.902 360.0 49.7 -60.9 -40.1 14.9 12.7 12.7 3 188 A L H > S+ 0 0 48 2,-0.2 4,-3.0 1,-0.2 5,-0.3 0.944 111.5 49.4 -59.8 -47.5 13.7 16.3 12.7 4 189 A A H > S+ 0 0 0 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.908 114.4 43.1 -60.5 -45.5 13.1 16.0 16.5 5 190 A V H X S+ 0 0 72 -4,-2.7 4,-2.4 2,-0.2 -1,-0.2 0.922 116.9 46.9 -66.6 -45.0 16.6 14.6 17.2 6 191 A G H X S+ 0 0 19 -4,-2.6 4,-2.2 -5,-0.2 -2,-0.2 0.927 115.3 45.1 -62.6 -46.1 18.3 17.0 14.9 7 192 A L H X S+ 0 0 0 -4,-3.0 4,-3.0 -5,-0.2 5,-0.2 0.899 111.4 53.2 -64.8 -43.1 16.4 20.0 16.2 8 193 A A H X S+ 0 0 0 -4,-2.4 4,-2.5 -5,-0.3 -2,-0.2 0.937 110.0 47.8 -59.4 -46.4 17.0 18.9 19.8 9 194 A A H X S+ 0 0 17 -4,-2.4 4,-2.6 2,-0.2 -1,-0.2 0.909 112.4 50.5 -57.0 -44.6 20.8 18.7 19.2 10 195 A H H X S+ 0 0 39 -4,-2.2 4,-2.1 2,-0.2 6,-0.2 0.934 109.5 49.0 -61.8 -46.7 20.7 22.1 17.6 11 196 A L H X>S+ 0 0 0 -4,-3.0 5,-2.4 1,-0.2 4,-0.7 0.914 112.5 49.6 -58.3 -42.9 18.8 23.7 20.5 12 197 A R H ><5S+ 0 0 113 -4,-2.5 3,-0.9 1,-0.2 -2,-0.2 0.937 110.1 50.9 -60.0 -45.8 21.3 22.1 22.9 13 198 A Q H 3<5S+ 0 0 131 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.826 117.0 38.3 -65.3 -33.9 24.3 23.4 20.9 14 199 A I H 3<5S- 0 0 59 -4,-2.1 59,-0.3 -5,-0.2 -1,-0.3 0.422 113.4-114.8 -95.2 1.0 23.0 27.0 20.8 15 200 A G T <<5 + 0 0 41 -3,-0.9 2,-0.5 -4,-0.7 -3,-0.2 0.734 50.2 170.9 68.5 26.4 21.7 26.9 24.4 16 201 A G < - 0 0 0 -5,-2.4 2,-0.4 -6,-0.2 56,-0.2 -0.582 19.6-161.3 -68.7 119.9 18.0 27.2 23.3 17 202 A T E -A 71 0A 25 54,-2.6 54,-2.6 -2,-0.5 2,-0.5 -0.868 20.6-150.4-122.4 135.5 16.3 26.6 26.6 18 203 A M E -Ab 70 43A 0 24,-2.8 26,-2.7 -2,-0.4 2,-0.5 -0.891 10.2-161.1-101.1 130.1 12.7 25.6 27.7 19 204 A Y E +Ab 69 44A 39 50,-3.3 50,-2.3 -2,-0.5 2,-0.3 -0.941 35.5 124.8-106.0 127.5 11.4 26.8 31.1 20 205 A G E - b 0 45A 0 24,-2.4 26,-3.4 -2,-0.5 27,-0.5 -0.852 55.4 -96.1-159.3-169.0 8.5 24.9 32.3 21 206 A A > - 0 0 0 -2,-0.3 3,-1.9 24,-0.2 6,-0.2 -1.000 24.1-135.0-130.6 134.0 6.8 22.8 35.0 22 207 A Y T 3 S+ 0 0 123 -2,-0.4 -1,-0.1 1,-0.3 23,-0.0 0.812 107.2 46.2 -57.5 -29.8 6.7 19.0 34.9 23 208 A W T 3 S+ 0 0 79 24,-0.2 -1,-0.3 4,-0.1 3,-0.0 0.434 84.9 111.2 -91.4 -3.8 3.0 19.0 35.8 24 209 A C <> - 0 0 14 -3,-1.9 4,-2.4 1,-0.1 5,-0.2 -0.616 62.6-144.4 -82.4 124.4 1.9 21.6 33.3 25 210 A P H > S+ 0 0 85 0, 0.0 4,-2.5 0, 0.0 -1,-0.1 0.874 100.5 49.7 -55.6 -41.5 -0.3 20.2 30.4 26 211 A H H > S+ 0 0 106 2,-0.2 4,-2.4 1,-0.2 5,-0.1 0.872 110.2 50.8 -65.1 -38.5 1.2 22.6 27.9 27 212 A C H > S+ 0 0 0 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.906 110.8 49.0 -64.0 -41.3 4.7 21.7 28.9 28 213 A Q H X S+ 0 0 83 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.912 110.7 50.7 -62.7 -41.5 3.8 18.0 28.6 29 214 A D H X S+ 0 0 78 -4,-2.5 4,-1.1 1,-0.2 -2,-0.2 0.906 109.7 51.3 -61.1 -42.0 2.4 18.7 25.1 30 215 A Q H >X S+ 0 0 0 -4,-2.4 4,-0.7 1,-0.2 3,-0.6 0.918 110.9 46.5 -61.2 -47.3 5.6 20.5 24.2 31 216 A K H >X S+ 0 0 47 -4,-2.3 4,-1.7 1,-0.2 3,-1.1 0.886 105.9 61.3 -63.6 -37.7 7.8 17.6 25.3 32 217 A E H 3< S+ 0 0 133 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.774 93.4 62.9 -63.5 -26.9 5.5 15.1 23.4 33 218 A L H << S+ 0 0 77 -4,-1.1 -1,-0.3 -3,-0.6 -2,-0.2 0.848 112.7 37.1 -63.6 -32.9 6.2 16.8 20.1 34 219 A F H X< S- 0 0 7 -3,-1.1 3,-1.4 -4,-0.7 -2,-0.2 0.767 91.6-173.3 -86.1 -28.9 9.8 15.8 20.6 35 220 A G G >< S- 0 0 41 -4,-1.7 3,-2.0 1,-0.3 -1,-0.2 -0.433 71.7 -11.3 61.8-140.1 9.1 12.4 22.2 36 221 A A G > S+ 0 0 86 1,-0.3 3,-1.8 2,-0.2 -1,-0.3 0.744 128.2 75.7 -60.6 -22.7 12.3 10.8 23.4 37 222 A A G X S+ 0 0 12 -3,-1.4 3,-1.6 1,-0.3 4,-0.4 0.687 73.3 82.4 -64.1 -16.1 14.3 13.4 21.5 38 223 A F G X + 0 0 21 -3,-2.0 3,-1.4 1,-0.3 -1,-0.3 0.744 68.1 85.0 -60.9 -19.9 13.4 15.8 24.2 39 224 A D G < S+ 0 0 149 -3,-1.8 -1,-0.3 1,-0.3 -2,-0.1 0.807 90.7 46.7 -53.8 -31.6 16.3 14.4 26.2 40 225 A Q G < S+ 0 0 62 -3,-1.6 -1,-0.3 -4,-0.1 -2,-0.2 0.674 87.9 103.0 -83.6 -18.5 18.7 16.7 24.5 41 226 A V S < S- 0 0 7 -3,-1.4 2,-0.1 -4,-0.4 -24,-0.1 -0.513 80.6-117.1 -72.3 123.6 16.6 19.9 24.9 42 227 A P - 0 0 34 0, 0.0 -24,-2.8 0, 0.0 2,-0.4 -0.400 42.6-175.4 -58.8 128.8 17.9 22.2 27.7 43 228 A Y E -b 18 0A 63 -26,-0.2 2,-0.5 -2,-0.1 -24,-0.2 -0.993 21.6-159.3-139.6 128.7 15.2 22.3 30.2 44 229 A V E -b 19 0A 24 -26,-2.7 -24,-2.4 -2,-0.4 2,-0.8 -0.931 17.9-140.4-107.4 121.9 14.7 24.3 33.5 45 230 A E E +b 20 0A 47 -2,-0.5 -24,-0.2 -26,-0.2 14,-0.1 -0.751 21.6 178.6 -82.9 112.2 12.2 23.0 36.0 46 231 A a S S+ 0 0 0 -26,-3.4 10,-2.5 -2,-0.8 -25,-0.2 0.622 74.0 42.8 -89.7 -16.3 10.4 26.0 37.4 47 232 A S > + 0 0 3 -27,-0.5 3,-1.4 8,-0.2 -1,-0.2 -0.448 55.7 150.3-131.6 62.5 8.0 24.1 39.7 48 233 A P T 3 S+ 0 0 72 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.814 81.8 50.6 -64.7 -25.6 9.9 21.3 41.5 49 234 A N T 3 S- 0 0 125 5,-0.2 -2,-0.1 1,-0.2 6,-0.1 0.420 112.8-123.0 -93.1 1.5 7.5 21.7 44.4 50 235 A G X - 0 0 4 -3,-1.4 3,-1.5 3,-0.1 -1,-0.2 -0.116 51.0 -10.1 90.2 176.7 4.3 21.5 42.3 51 236 A P T 3 S+ 0 0 87 0, 0.0 -4,-0.0 0, 0.0 -27,-0.0 -0.056 122.7 17.1 -52.2 142.3 1.2 23.7 41.6 52 237 A G T 3 S+ 0 0 91 1,-0.2 -2,-0.1 0, 0.0 3,-0.1 0.265 97.3 113.5 82.2 -10.0 0.6 26.7 43.8 53 238 A T S < S- 0 0 53 -3,-1.5 -1,-0.2 1,-0.1 2,-0.1 -0.555 81.0 -88.0 -93.7 156.3 4.1 27.0 45.2 54 239 A P - 0 0 120 0, 0.0 -5,-0.2 0, 0.0 -1,-0.1 -0.420 53.6-115.7 -60.9 137.3 6.6 29.8 44.5 55 240 A Q - 0 0 45 1,-0.2 -8,-0.2 -2,-0.1 -9,-0.1 -0.166 43.5 -67.1 -73.0 170.1 8.5 29.0 41.4 56 241 A A >> - 0 0 17 -10,-2.5 4,-2.1 1,-0.1 3,-0.9 -0.218 41.4-123.2 -57.1 139.9 12.2 28.3 41.2 57 242 A Q H 3> S+ 0 0 162 1,-0.3 4,-2.8 2,-0.2 5,-0.2 0.897 112.4 56.7 -51.0 -44.3 14.5 31.3 42.0 58 243 A E H 3> S+ 0 0 127 1,-0.2 4,-1.2 2,-0.2 -1,-0.3 0.824 107.7 48.5 -58.8 -33.5 16.2 30.9 38.6 59 244 A a H <4>S+ 0 0 0 -3,-0.9 5,-2.8 2,-0.2 4,-0.4 0.904 111.3 47.9 -74.2 -43.6 12.8 31.2 36.8 60 245 A T H ><5S+ 0 0 78 -4,-2.1 3,-1.0 1,-0.2 -2,-0.2 0.918 113.1 49.4 -58.2 -45.0 11.8 34.3 38.8 61 246 A E H 3<5S+ 0 0 150 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.779 109.1 51.5 -68.6 -26.9 15.2 35.9 38.0 62 247 A A T 3<5S- 0 0 45 -4,-1.2 -1,-0.3 -5,-0.2 -2,-0.2 0.479 117.2-117.3 -83.1 -5.5 14.8 35.0 34.3 63 248 A G T < 5 + 0 0 48 -3,-1.0 2,-0.4 -4,-0.4 -3,-0.2 0.773 48.0 174.9 74.2 28.6 11.4 36.7 34.4 64 249 A I < + 0 0 5 -5,-2.8 -1,-0.2 1,-0.2 3,-0.1 -0.524 12.8 161.0 -69.9 121.8 9.4 33.6 33.6 65 250 A T + 0 0 132 -2,-0.4 2,-0.3 1,-0.2 -1,-0.2 0.373 61.0 33.0-126.0 -0.0 5.7 34.4 33.8 66 251 A S S S- 0 0 52 -47,-0.0 -1,-0.2 13,-0.0 -47,-0.1 -0.988 84.2 -91.6-151.2 158.6 4.2 31.5 31.7 67 252 A Y S S+ 0 0 53 -2,-0.3 13,-0.2 1,-0.2 -41,-0.2 -0.964 100.4 23.8-120.6 135.0 4.9 27.8 31.0 68 253 A P S S+ 0 0 0 0, 0.0 11,-3.0 0, 0.0 2,-0.4 0.669 76.0 172.7 -77.9 156.8 6.5 26.8 28.7 69 254 A T E -AC 19 78A 4 -50,-2.3 -50,-3.3 9,-0.2 2,-0.4 -0.999 15.1-156.3-122.5 129.5 8.7 29.7 27.9 70 255 A W E -AC 18 77A 0 7,-3.2 7,-3.1 -2,-0.4 2,-0.5 -0.862 6.9-165.6 -99.5 136.7 11.5 29.3 25.4 71 256 A I E +AC 17 76A 41 -54,-2.6 -54,-2.6 -2,-0.4 2,-0.4 -0.968 20.2 168.0-118.3 110.9 14.6 31.5 25.3 72 257 A I E > - C 0 75A 0 3,-2.6 3,-2.0 -2,-0.5 -56,-0.1 -0.991 69.3 -10.2-129.9 123.4 16.4 30.9 22.0 73 258 A N T 3 S- 0 0 101 -2,-0.4 -1,-0.2 -59,-0.3 3,-0.1 0.893 128.6 -58.7 52.8 42.9 19.2 33.2 20.8 74 259 A G T 3 S+ 0 0 71 1,-0.2 2,-0.3 -3,-0.1 -1,-0.3 0.385 114.6 122.3 69.1 -3.8 18.3 35.6 23.7 75 260 A R E < -C 72 0A 154 -3,-2.0 -3,-2.6 14,-0.1 2,-0.5 -0.687 59.2-130.0 -93.7 144.7 14.8 35.9 22.2 76 261 A T E +C 71 0A 88 -2,-0.3 2,-0.5 -5,-0.2 -5,-0.2 -0.813 23.7 177.7-104.4 126.9 11.7 34.9 24.3 77 262 A Y E -C 70 0A 29 -7,-3.1 -7,-3.2 -2,-0.5 2,-0.2 -0.939 13.9-159.2-128.0 107.3 8.9 32.6 22.9 78 263 A T E +C 69 0A 66 -2,-0.5 -9,-0.2 -9,-0.2 -11,-0.1 -0.612 49.8 16.1 -92.6 148.1 6.1 31.9 25.3 79 264 A G S S- 0 0 24 -11,-3.0 -9,-0.2 -2,-0.2 2,-0.1 -0.096 102.9 -31.7 85.6 174.8 3.7 28.9 25.0 80 265 A V - 0 0 53 -13,-0.2 2,-0.4 -11,-0.1 -53,-0.1 -0.371 58.6-164.9 -63.9 139.5 3.9 25.6 23.1 81 266 A R - 0 0 78 -2,-0.1 -48,-0.1 -4,-0.1 -2,-0.1 -0.995 18.2-121.1-129.7 136.9 5.7 25.8 19.7 82 267 A S > - 0 0 49 -2,-0.4 4,-2.4 1,-0.1 5,-0.2 -0.191 32.2-107.3 -64.1 163.2 5.6 23.2 16.9 83 268 A L H > S+ 0 0 18 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.905 124.2 53.3 -58.3 -38.9 8.9 21.6 15.8 84 269 A E H > S+ 0 0 119 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.925 108.5 48.1 -61.0 -44.8 8.6 23.7 12.7 85 270 A A H > S+ 0 0 34 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.880 112.2 49.2 -63.2 -40.4 8.2 26.9 14.7 86 271 A L H X S+ 0 0 0 -4,-2.4 4,-1.8 2,-0.2 -1,-0.2 0.834 108.7 53.1 -69.5 -34.9 11.2 25.9 16.9 87 272 A A H X>S+ 0 0 0 -4,-2.2 5,-2.7 -5,-0.2 4,-1.1 0.939 111.2 46.5 -62.1 -47.6 13.3 25.2 13.8 88 273 A V H ><5S+ 0 0 121 -4,-2.4 3,-0.6 1,-0.2 -2,-0.2 0.933 113.1 49.1 -60.5 -46.1 12.5 28.7 12.5 89 274 A A H 3<5S+ 0 0 14 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.845 118.8 38.9 -61.6 -35.8 13.3 30.4 15.8 90 275 A S H 3<5S- 0 0 7 -4,-1.8 -1,-0.2 -5,-0.1 -2,-0.2 0.484 112.3-113.0 -96.9 -4.1 16.6 28.6 16.1 91 276 A G T <<5 + 0 0 60 -4,-1.1 -3,-0.2 -3,-0.6 -4,-0.1 0.803 61.9 153.4 73.5 31.2 17.7 28.7 12.5 92 277 A Y < - 0 0 67 -5,-2.7 -1,-0.3 -6,-0.2 -2,-0.1 -0.818 47.2-107.3 -93.5 129.9 17.4 25.0 11.9 93 278 A P 0 0 100 0, 0.0 -1,-0.1 0, 0.0 -5,-0.0 -0.288 360.0 360.0 -66.5 137.4 16.7 24.0 8.3 94 279 A L 0 0 191 -2,-0.0 -2,-0.1 -7,-0.0 -6,-0.1 -0.378 360.0 360.0 72.6 360.0 13.3 22.7 6.9