|||)) 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 #4 is loaded. File /home/renz/code/ccl/lib/symlib read. SOURCE: cpl.io.coordinates.__init__ TYPE: result ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ Coordinates file: ./1LOJ.pdb.sub ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ a = 65.254 angstrom b = 109.956 angstrom c = 83.756 angstrom alpha= 90 degree beta = 95.81 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 81 AA or 9.234 kDa per monomer Input substructure ATOM 306 SD MET A 47 46.287 6.957 44.760 1.00 36.75 S ATOM 889 SD MET B 47 32.898 8.689 45.575 1.00 37.42 S ATOM 1482 SD MET C 47 25.731 17.884 52.426 1.00 37.75 S ATOM 2089 SD MET D 47 30.554 27.650 60.554 1.00 37.86 S ATOM 2672 SD MET E 47 43.360 31.062 63.324 1.00 38.83 S ATOM 3263 SD MET F 47 54.818 25.312 58.982 1.00 40.14 S ATOM 3854 SD MET G 47 55.829 14.490 50.884 1.00 39.60 S ATOM 4445 SD MET H 47 35.979 -8.532 65.117 1.00 42.90 S ATOM 5041 SD MET I 47 49.402 -7.248 66.377 1.00 39.59 S ATOM 5616 SD MET J 47 56.757 1.627 73.514 1.00 45.73 S ATOM 6217 SD MET K 47 51.656 11.817 81.025 1.00 44.04 S ATOM 6787 SD MET L 47 38.862 15.408 83.671 1.00 41.42 S ATOM 7362 SD MET M 47 27.454 9.680 79.094 1.00 37.28 S ATOM 7943 SD MET N 47 26.676 -0.887 70.475 1.00 42.22 S SOURCE: ncsymm.py TYPE: result ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 0 1 2 3 4 5 6 7 8 9 10 11 12 _____ _____ _____ _____ _____ _____ _____ _____ _____ _____ _____ _____ _____ 306 1482 7943 5616 3263 2672 889 5041 6217 7362 2089 6787 3854 13 _____ 4445 Sites in each row are related by NCS. Sites in each column belong to a rigid nominal monomer. Site 0 306 46.2870 6.9570 44.7600 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 1482 25.7310 17.8840 52.4260 Polar -52.2843 -91.2699 102.8589 Matrix -0.2222 0.7841 0.5795 -0.7579 0.2350 -0.6086 -0.6134 -0.5744 0.5421 Vector -16.4962 -15.1951 -12.1193 Site 2 7943 26.6760 -0.8870 70.4750 Polar 44.8672 -52.2524 180.0000 Matrix -0.6270 0.6122 0.4818 0.6122 0.0046 0.7907 0.4818 0.7907 -0.3777 Vector -22.8148 35.7954 -27.8164 Site 3 5616 56.7570 1.6270 73.5140 Polar 127.7363 -91.6548 66.0157 Matrix 0.4068 -0.7140 -0.5699 0.7305 0.6288 -0.2663 0.5485 -0.3080 0.7774 Vector -12.9001 -5.3371 28.0879 Site 4 3263 54.8180 25.3120 58.9820 Polar -127.7157 88.7301 102.8589 Matrix -0.2222 -0.7579 -0.6134 0.7841 0.2350 -0.5744 0.5795 -0.6086 0.5421 Vector -22.6151 9.5445 6.8815 Site 5 2672 43.3600 31.0620 63.3240 Polar -127.7167 88.7287 154.2847 Matrix -0.9004 -0.3227 -0.2918 0.3636 -0.1895 -0.9121 0.2391 -0.9273 0.2880 Vector -31.7699 1.1121 0.1552 Site 6 889 32.8980 8.6890 45.5750 Polar -38.6066 101.5341 179.9932 Matrix -0.9689 0.1950 0.1526 0.1950 0.2213 0.9555 0.1526 0.9555 -0.2525 Vector -29.5363 45.9213 -52.6690 Site 7 5041 49.4020 -7.2480 66.3770 Polar 135.7728 51.3398 180.0000 Matrix -0.6203 -0.6245 -0.4746 -0.6245 0.0270 0.7806 -0.4746 0.7806 -0.4067 Vector -27.6154 16.0443 -43.2014 Site 8 6217 51.6560 11.8170 81.0250 Polar -127.7765 88.4189 117.4422 Matrix -0.4602 -0.6817 -0.5688 0.7207 0.0873 -0.6877 0.5185 -0.7264 0.4511 Vector -26.8475 -7.7237 25.8800 Site 9 7362 27.4540 9.6800 79.0940 Polar 52.1830 88.5075 139.6996 Matrix -0.7619 0.5330 0.3679 -0.4885 -0.1000 -0.8668 -0.4252 -0.8402 0.3366 Vector -26.7429 -28.1294 10.0892 Site 10 2089 30.5540 27.6500 60.5540 Polar -52.2833 -91.2713 154.2847 Matrix -0.9004 0.3636 0.2391 -0.3227 -0.1895 -0.9273 -0.2918 -0.9121 0.2880 Vector -29.0463 -9.8987 -8.3016 Site 11 6787 38.8620 15.4080 83.6710 Polar 127.7957 -91.5469 168.8734 Matrix -0.9803 -0.1265 -0.1516 0.1783 -0.2371 -0.9550 0.0849 -0.9632 0.2550 Vector 30.9495 -29.5005 12.3276 Site 12 3854 55.8290 14.4900 50.8840 Polar 127.7161 -91.2700 51.4276 Matrix 0.6236 -0.6143 -0.4835 0.6223 0.7644 -0.1684 0.4731 -0.1959 0.8590 Vector -8.4760 9.0496 6.8122 Site 13 4445 35.9790 -8.5320 65.1170 Polar -52.0848 -91.2729 36.8449 Matrix 0.8003 0.4751 0.3657 -0.4708 0.8757 -0.1073 -0.3712 -0.0863 0.9245 Vector -1.6227 86.1247 14.0681 Sites not related by NCS: None Missing sites completed None ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~