|||)) 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: ./1EEI.pdb.sub ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ a = 68.9 angstrom b = 69.55 angstrom c = 130.66 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 0 103 AA or 11.742 kDa per monomer Input substructure ATOM 137 SD MET D 37 14.926 10.077 24.231 1.00 30.19 S ATOM 168 SD MET D 68 19.742 22.813 28.687 1.00 20.19 S ATOM 101 SD MET D 101 15.359 30.280 28.490 1.00 33.22 S ATOM 237 SD MET E 37 31.114 28.449 31.598 1.00 28.41 S ATOM 268 SD MET E 68 23.640 33.572 42.784 1.00 19.69 S ATOM 201 SD MET E 101 16.176 38.532 42.434 1.00 22.87 S ATOM 337 SD MET F 37 25.269 35.449 55.584 1.00 26.27 S ATOM 368 SD MET F 68 12.038 29.473 55.938 1.00 19.88 S ATOM 301 SD MET F 101 5.025 32.412 52.195 1.00 26.58 S ATOM 437 SD MET G 37 5.727 20.296 62.870 1.00 25.87 S ATOM 468 SD MET G 68 0.982 16.311 49.948 1.00 19.82 S ATOM 401 SD MET G 101 -2.992 21.146 44.236 1.00 30.55 S ATO 537 SD MET H 37 -0.494 5.354 43.456 1.00 35.28 S ATOM 568 SD MET H 68 5.803 12.238 32.813 1.00 19.76 S ATOM 501 SD MET H 101 3.177 19.991 29.405 1.00 23.73 S ATOM 1 SD MET A 23 0.214 31.240 51.698 1.00 39.42 S ATOM 2 SD MET A 23 71.771 84.669 71.271 1.00 39.42 S ATOM 3 SD MET A 23 -38.834 72.250 1.718 1.00 39.42 S ATOM 4 SD MET A 23 13.645 45.159 -54.271 1.00 39.42 S ATOM 5 SD MET A 23 -3.574 27.676 -15.688 1.00 39.42 S ATOM 6 SD MET A 23 21.876 -6.769 43.773 1.00 39.42 S SOURCE: ncsymm.py TYPE: result ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 0 1 2 3 4 _____ _____ _____ _____ _____ 268 368 568 468 168 201 301 501 401 101 337 437 137 [0] 237 Sites in each row are related by NCS. Sites in each column belong to a rigid nominal monomer. Site 0 268 23.6400 33.5720 42.7840 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 1 368 12.0380 29.4730 55.9380 Polar -133.4321 151.7481 72.1297 Matrix 0.5905 -0.6320 -0.5019 0.0223 0.6345 -0.7726 0.8067 0.4450 0.3888 Vector 40.7471 40.5996 5.4561 Site 2 568 5.8030 12.2380 32.8130 Polar -46.3347 -28.0693 143.9839 Matrix -0.0719 -0.5970 0.7990 -0.9973 0.0535 -0.0498 -0.0130 -0.8004 -0.5993 Vector -6.5701 36.1686 85.7766 Site 3 468 0.9820 16.3110 49.9480 Polar 133.6653 -28.0693 143.9839 Matrix -0.0719 -0.9973 -0.0130 -0.5970 0.0535 -0.8004 0.7990 -0.0498 -0.5993 Vector 36.7137 62.8028 58.4540 Site 4 168 19.7420 22.8130 28.6870 Polar 46.5679 151.7481 72.1297 Matrix 0.5905 0.0223 0.8067 -0.6320 0.6345 0.4450 -0.5019 -0.7726 0.3888 Vector -29.3690 -2.4360 49.6986 Sites not related by NCS: 1 2 3 4 5 6 Missing sites completed [0] -1.1787 5.1198 43.5687 ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~