|||)) Welcome to CPL M0.15.9 |||\\ Renz Research, Inc. Loading the Space-group Database ... __________ \ ____ / \ \ / / \ \/ / \ / \/ Yield! .................................................... File /home/renz/code/ccl/lib/symlib is open for read. ............................................................... The space-group #19 is loaded. File /home/renz/code/ccl/lib/symlib read. SOURCE: cpl.io.coordinates.__init__ TYPE: result ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ Coordinates file: ./1BCP.pdb.sub ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ a = 163.8 angstrom b = 98.2 angstrom c = 194.5 angstrom alpha= 90 degree beta = 90 degree gamma= 90 degree P212121 orthorhombic No. 19 Positions: 4 position 1: x, y, z 1 0 0 0 0 1 0 0 0 0 1 0 position 2: -x+1/2, -y, z+1/2 -1 0 0 0.5 0 -1 0 0 0 0 1 0.5 position 3: -x, y+1/2, -z+1/2 -1 0 0 0 0 1 0 0.5 0 0 -1 0.5 position 4: x+1/2, -y+1/2, -z 1 0 0 0.5 0 -1 0 0.5 0 0 -1 0 210 AA or 23.94 kDa per monomer Input substructure ATOM 534 SD MET A 68 -5.328 23.187 -43.369 1.00 12.61 S ATOM 1533 SD MET A 194 -7.747 25.927 -23.252 1.00 7.14 S ATOM 1582 SD MET A 202 -0.038 35.348 -31.295 1.00 5.94 S ATOM 1664 SD MET A 223 -10.652 33.798 -30.440 1.00 17.75 S ATOM 2432 SD MET B 89 -9.836 20.944 21.653 1.00 12.47 S ATOM 2861 SD MET B 145 -21.297 16.842 1.162 1.00 10.33 S ATOM 2926 SD MET B 152 -18.495 21.645 -8.624 1.00 9.22 S ATOM 4384 SD MET C 145 8.689 10.566 -4.863 1.00 13.74 S ATOM 4475 SD MET C 155 1.876 24.728 -13.691 1.00 7.48 S ATOM 4503 SD MET C 158 -2.687 21.293 -20.874 1.00 3.43 S ATOM 4909 SD MET D 11 6.743 36.653 3.134 1.00 10.60 S ATOM 4956 SD MET D 18 4.272 16.914 -6.771 1.00 4.44 S ATOM 5040 SD MET D 28 4.837 13.056 -3.092 1.00 7.40 S ATOM 5290 SD MET D 64 -0.386 22.657 5.373 1.00 5.08 S ATOM 5314 SD MET D 67 -4.455 28.441 2.001 1.00 2.00 S ATOM 5364 SD MET D 73 -1.842 28.495 -11.996 1.00 6.74 S ATOM 5427 SD MET D 80 4.623 31.408 3.031 1.00 3.20 S ATOM 5587 SD MET D 100 -0.394 27.954 2.037 1.00 5.71 S ATOM 5748 SD MET E 11 -4.593 9.571 -37.405 1.00 5.47 S ATOM 5795 SD MET E 18 -14.389 9.703 -18.473 1.00 7.54 S ATOM 5879 SD MET E 28 -15.028 6.195 -16.083 1.00 18.23 S ATOM 6129 SD MET E 64 -2.745 4.748 -23.147 1.00 2.00 S ATOM 6153 SD MET E 67 0.449 10.409 -24.338 1.00 4.71 S ATOM 6203 SD MET E 73 -8.409 21.139 -22.084 1.00 11.46 S ATOM 6266 SD MET E 80 -4.604 8.572 -31.823 1.00 2.26 S ATOM 6426 SD MET E 100 -2.970 8.660 -26.040 1.00 2.54 S ATOM 6753 SD MET F 32 -29.673 22.588 -29.792 1.00 13.50 S ATOM 6940 SD MET F 56 -19.102 10.004 -16.319 1.00 9.41 S ATOM 7799 SD MET G 68 37.100 63.261 79.059 1.00 44.10 S ATOM 8798 SD MET G 194 37.580 50.648 63.007 1.00 40.61 S ATOM 8847 SD MET G 202 35.199 64.920 61.269 1.00 48.87 S ATOM 8929 SD MET G 223 44.226 59.459 63.457 1.00 41.06 S ATOM 9697 SD MET H 89 30.671 16.372 34.360 1.00 26.37 S ATOM 10126 SD MET H 145 42.685 23.312 53.609 1.00 28.33 S ATOM 10191 SD MET H 152 43.718 34.098 56.864 1.00 22.93 S ATOM 11649 SD MET I 145 13.929 34.796 57.204 1.00 18.30 S ATOM 11740 SD MET I 155 26.925 47.087 55.176 1.00 17.93 S ATOM 11768 SD MET I 158 30.954 47.946 63.475 1.00 18.22 S ATOM 12174 SD MET J 11 24.792 45.260 34.303 1.00 12.77 S ATOM 12221 SD MET J 18 20.869 38.589 55.100 1.00 9.04 S ATOM 12305 SD MET J 28 18.353 33.828 54.855 1.00 17.40 S ATOM 12555 SD MET J 64 25.407 32.146 43.078 1.00 10.33 S ATOM 12579 SD MET J 67 31.886 36.488 42.342 1.00 16.06 S ATOM 12629 SD MET J 73 31.746 46.891 52.066 1.00 19.69 S ATOM 12692 SD MET J 80 24.559 41.042 38.165 1.00 3.81 S ATOM 12852 SD MET J 100 28.138 37.641 42.083 1.00 13.23 S ATOM 13013 SD MET K 11 30.667 50.691 83.712 1.00 21.24 S ATOM 13060 SD MET K 18 36.915 34.553 71.318 1.00 32.06 S ATOM 13144 SD MET K 28 35.784 30.467 71.910 1.00 35.87 S ATOM 13394 SD MET K 64 24.978 38.837 76.199 1.00 26.36 S ATOM 13418 SD MET K 67 24.264 44.407 72.747 1.00 13.54 S ATOM 13468 SD MET K 73 36.202 46.513 65.373 1.00 28.30 S ATOM 13531 SD MET K 80 29.399 46.483 80.232 1.00 22.05 S ATOM 13691 SD MET K 100 27.073 43.140 75.711 1.00 18.16 S ATOM 14018 SD MET L 32 57.321 45.255 73.311 1.00 56.92 S ATOM 14205 SD MET L 56 41.114 31.814 70.406 1.00 27.25 S SOURCE: ncsymm.py TYPE: result ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 0 1 _____ _____ 5314 12579 5587 12852 5290 12555 5427 12692 4909 12174 5364 12629 4956 12221 4475 11740 5040 12305 2926 10191 2861 10126 2432 9697 4384 11649 4503 11768 6203 13468 1533 8798 5795 13060 6940 14205 5879 13144 6153 13418 1664 8929 1582 8847 6426 13691 6129 13394 6266 13531 6753 14018 5748 13013 534 7799 Sites in each row are related by NCS. Sites in each column belong to a rigid nominal monomer. Site 0 5314 -4.4550 28.4410 2.0010 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 12579 31.8860 36.4880 42.3420 Polar 154.9218 -119.3538 180.0000 Matrix -0.9137 0.3764 -0.1535 0.3764 0.6407 -0.6692 -0.1535 -0.6692 -0.7270 Vector 166.9007 -40.2434 87.3258 Sites not related by NCS: None Missing sites completed None ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~