|||)) 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: ./1CR7.pdb.sub ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ a = 128.32 angstrom b = 126.82 angstrom c = 85.61 angstrom alpha= 90 degree beta = 116.14 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 0 236 AA or 26.904 kDa per monomer Input substructure ATOM 850 SD MET A 50 40.340 78.508 32.481 1.00 64.23 S ATOM 873 SD MET A 73 17.784 82.826 15.427 1.00 12.05 S ATOM 150 SD MET B 50 35.992 77.065 35.380 1.00 37.47 S ATOM 173 SD MET B 73 58.883 66.416 48.770 1.00 9.51 S ATOM 250 SD MET C 50 52.513 35.476 40.212 1.00 66.90 S ATOM 273 SD MET C 73 28.447 46.126 29.354 1.00 12.37 S ATOM 350 SD MET D 50 23.601 57.204 -3.603 1.00 75.49 S ATOM 373 SD MET D 73 47.516 54.435 12.330 1.00 21.93 S ATOM 450 SD MET E 50 -23.798 96.305 44.299 1.00 77.56 S ATOM 473 SD MET E 73 -46.381 91.974 61.472 1.00 7.26 S ATOM 550 SD MET F 50 -28.021 97.411 41.773 1.00 55.84 S ATOM 573 SD MET F 73 -5.091 108.981 28.023 1.00 25.08 S ATOM 650 SD MET G 50 -11.605 139.347 36.898 1.00 71.64 S ATOM 673 SD MET G 73 -35.732 128.606 47.702 1.00 10.79 S ATOM 750 SD MET H 50 -40.515 117.264 80.557 1.00 87.57 S ATOM 773 SD MET H 73 -16.602 120.219 64.564 1.00 21.90 S SOURCE: ncsymm.py TYPE: result ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 0 1 2 3 4 5 6 7 _____ _____ _____ _____ _____ _____ _____ _____ 473 373 - 873 273 773 673 173 450 350 - 850 250 750 650 150 Sites in each row are related by NCS. Sites in each column belong to a rigid nominal monomer. Site 0 473 -46.3810 91.9740 61.4720 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 1 373 47.5160 54.4350 12.3300 Polar -45.6641 89.9263 117.3925 Matrix -0.4601 -0.6360 0.6195 0.6341 0.2530 0.7307 -0.6215 0.7290 0.2869 Vector 111.4728 47.8942 -55.7211 Site 2 573 -5.0910 108.9810 28.0230 Polar - - - Matrix - - - - - - - - - Vector - - - Site 3 873 17.7840 82.8260 15.4270 Polar 89.9790 0.0519 179.8474 Matrix 1.0000 0.0007 -0.0018 0.0007 -1.0000 -0.0027 -0.0018 0.0027 -1.0000 Vector 26.3029 174.7091 -0.1811 Site 4 273 28.4470 46.1260 29.3540 Polar 140.8355 142.6471 71.4844 Matrix 0.4896 0.6290 -0.6039 -0.0977 0.7278 0.6788 0.8665 -0.2733 0.4178 Vector -34.4093 -11.0305 68.3117 Site 5 773 -16.6020 120.2190 64.5640 Polar 127.8344 -48.8026 179.9901 Matrix -0.4588 -0.6382 0.6183 -0.6382 -0.2475 -0.7290 0.6183 -0.7290 -0.2937 Vector 85.2640 126.2500 55.6737 Site 6 673 -35.7320 128.6060 47.7020 Polar -76.3307 -151.2125 146.8801 Matrix 0.4951 0.6255 -0.6031 0.1141 -0.7349 -0.6685 -0.8613 0.2621 -0.4352 Vector -98.2538 59.9716 9.4258 Site 7 173 58.8830 66.4160 48.7700 Polar 115.5994 -89.4743 179.4113 Matrix -0.9998 -0.0164 0.0105 0.0021 -0.6266 -0.7794 0.0194 -0.7792 0.6265 Vector 51.8641 112.0788 130.4064 Sites not related by NCS: 550 573 Missing sites completed None ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~