|||)) Welcome to CPL M0.15.9 |||\\ Renz Research, Inc. Loading the Space-group Database ... __________ \ ____ / \ \ / / \ \/ / \ / \/ Yield! .................................................... File /usr/local/rri/ccl/lib/symlib is open for read. ............................................................... The space-group #4 is loaded. File /usr/local/rri/ccl/lib/symlib read. SOURCE: cpl.io.coordinates.__init__ TYPE: result ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ Coordinates file: ./1EEF.pdb.sub ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ a = 88.54 angstrom b = 65.02 angstrom c = 101.93 angstrom alpha= 90 degree beta = 115.47 degree gamma= 90 degree P21 monoclinic No. 4 Positions: 2 position 1: x, y, z 1 0 0 0 0 1 0 0 0 0 1 0 position 2: -x, y+1/2, -z -1 0 0 0 0 1 0 0.5 0 0 -1 0 103 AA or 11.742 kDa per monomer Input substructure ATOM 251 SD MET D 31 13.965 -6.399 39.282 1.00 16.30 S ATOM 297 SD MET D 37 12.840 -18.664 34.910 1.00 16.53 S ATOM 542 SD MET D 68 8.463 -15.316 21.861 1.00 15.01 S ATOM 805 SD MET D 101 1.107 -12.740 18.541 1.00 32.55 S ATOM 1076 SD MET E 31 13.592 -16.902 22.439 1.00 14.98 S ATOM 1122 SD MET E 37 12.714 -16.411 9.453 1.00 16.97 S ATOM 1367 SD MET E 68 8.548 -2.555 8.593 1.00 12.91 S ATOM 1630 SD MET E 101 1.892 0.923 9.462 1.00 31.23 S ATOM 1901 SD MET F 31 13.703 -4.016 7.360 1.00 16.72 S ATOM 1947 SD MET F 37 13.083 8.523 3.788 1.00 17.66 S ATOM 2192 SD MET F 68 8.849 13.740 16.494 1.00 13.17 S ATOM 2455 SD MET F 101 1.457 13.790 19.842 1.00 33.16 S ATOM 2726 SD MET G 31 14.056 14.395 14.776 1.00 16.27 S ATOM 2772 SD MET G 37 13.251 21.682 25.603 1.00 15.00 S ATOM 3017 SD MET G 68 9.014 11.302 34.202 1.00 14.24 S ATOM 3280 SD MET G 101 2.041 7.893 35.573 1.00 25.65 S ATOM 3551 SD MET H 31 14.303 13.117 34.691 1.00 17.22 S ATOM 3597 SD MET H 37 13.128 5.027 45.025 1.00 15.44 S ATOM 3842 SD MET H 68 8.643 -6.607 37.561 1.00 13.00 S ATOM 4105 SD MET H 101 0.847 -8.716 34.587 1.00 30.70 S ATOM 4376 SD MET L 31 -8.062 27.580 85.957 1.00 18.86 S ATOM 4422 SD MET L 37 -9.089 14.995 82.478 1.00 17.80 S ATOM 4667 SD MET L 68 -13.663 17.306 69.135 1.00 14.87 S ATOM 4930 SD MET L 101 -21.453 19.307 66.119 1.00 36.15 S ATOM 5201 SD MET M 31 -8.494 15.976 70.065 1.00 21.59 S ATOM 5247 SD MET M 37 -9.115 15.182 57.121 1.00 18.01 S ATOM 5492 SD MET M 68 -13.574 28.799 55.162 1.00 13.81 S ATOM 5755 SD MET M 101 -20.857 32.527 56.022 1.00 36.81 S ATOM 6026 SD MET N 31 -8.500 27.456 54.083 1.00 15.65 S ATOM 6072 SD MET N 37 -9.230 39.603 49.470 1.00 15.50 S ATOM 6317 SD MET N 68 -13.536 45.954 61.871 1.00 12.48 S ATOM 6580 SD MET N 101 -21.262 46.268 65.128 1.00 34.29 S ATOM 6851 SD MET O 31 -8.187 46.374 60.101 1.00 19.20 S ATOM 6897 SD MET O 37 -8.926 54.661 70.348 1.00 18.21 S ATOM 7142 SD MET O 68 -13.505 44.773 79.909 1.00 15.22 S ATOM 7405 SD MET O 101 -20.305 41.627 81.364 1.00 31.01 S ATOM 7676 SD MET P 31 -8.041 46.502 79.959 1.00 20.83 S ATOM 7722 SD MET P 37 -8.838 39.302 90.939 1.00 18.87 S ATOM 7967 SD MET P 68 -13.306 27.196 84.373 1.00 12.91 S ATOM 8230 SD MET P 101 -21.079 24.747 81.699 1.00 40.32 S SOURCE: ncsymm.py TYPE: result ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 0 1 2 3 4 5 6 7 8 9 _____ _____ _____ _____ _____ _____ _____ _____ _____ _____ 6317 5492 4667 1367 542 7967 3842 2192 7142 3017 6851 6026 5201 1901 1076 4376 251 2726 7676 3551 6580 5755 4930 1630 805 8230 4105 2455 7405 3280 6897 6072 5247 1947 1122 4422 297 2772 7722 3597 Sites in each row are related by NCS. Sites in each column belong to a rigid nominal monomer. Site 0 6317 -13.5360 45.9540 61.8710 Polar 0.0000 0.0000 0.0000 Matrix 1.0000 0.0000 0.0000 0.0000 1.0000 -0.0000 -0.0000 0.0000 1.0000 Vector 0.0000 0.0000 0.0000 Site 1 5492 -13.5740 28.7990 55.1620 Polar 89.5334 -179.5067 72.0002 Matrix 0.9999 -0.0138 0.0018 0.0026 0.3091 0.9510 -0.0137 -0.9509 0.3091 Vector 0.4956 43.4700 16.4497 Site 2 4667 -13.6630 17.3060 69.1350 Polar -89.5349 0.4874 144.0014 Matrix 0.9997 -0.0197 -0.0106 -0.0097 -0.8089 0.5879 -0.0202 -0.5876 -0.8089 Vector 0.4204 72.5508 -19.8174 Site 3 1367 8.5480 -2.5550 8.5930 Polar 89.5167 -179.9273 67.6705 Matrix 1.0000 -0.0064 0.0070 -0.0041 0.3800 0.9250 -0.0086 -0.9250 0.3799 Vector -21.3017 73.0918 62.6750 Site 4 542 8.4630 -15.3160 21.8610 Polar 89.4477 -179.8836 139.6493 Matrix 0.9998 -0.0183 0.0027 -0.0157 -0.7619 0.6475 -0.0098 -0.6474 -0.7621 Vector -20.9996 104.8234 28.5094 Site 5 7967 -13.3060 27.1960 84.3730 Polar -90.4651 -179.5127 144.0014 Matrix 0.9997 -0.0097 -0.0202 -0.0197 -0.8089 -0.5876 -0.0106 0.5879 -0.8089 Vector -0.1172 47.0507 -58.6748 Site 6 3842 8.6430 -6.6070 37.5610 Polar 90.7803 0.3702 148.3641 Matrix 0.9996 -0.0218 -0.0191 -0.0286 -0.8511 -0.5243 -0.0048 0.5246 -0.8513 Vector -21.3000 82.4146 -12.0524 Site 7 2192 8.8490 13.7400 16.4940 Polar 95.7599 7.1896 4.4109 Matrix 0.9999 0.0093 -0.0081 -0.0099 0.9971 -0.0759 0.0074 0.0760 0.9971 Vector -22.0892 31.0510 42.8758 Site 8 7142 -13.5050 44.7730 79.9090 Polar 90.4666 0.4933 72.0002 Matrix 0.9999 0.0026 -0.0137 -0.0138 0.3091 -0.9509 0.0018 0.9510 0.3091 Vector -0.3817 2.2147 -46.4265 Site 9 3017 9.0140 11.3020 34.2020 Polar -90.8832 -179.4027 76.3236 Matrix 0.9997 -0.0016 -0.0229 -0.0219 0.2366 -0.9714 0.0070 0.9716 0.2365 Vector -22.1616 36.7297 -3.1902 Sites not related by NCS: None Missing sites completed None ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~