|||)) 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 #5 is loaded. File /home/renz/code/ccl/lib/symlib read. SOURCE: cpl.io.coordinates.__init__ TYPE: result ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ Coordinates file: ./1I8F.pdb.sub ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ a = 100.261 angstrom b = 95.738 angstrom c = 62.157 angstrom alpha= 90 degree beta = 92.69 degree gamma= 90 degree C2 monoclinic No. 5 Positions: 4 position 1: x, y, z 1 0 0 0 0 1 0 0 0 0 1 0 position 2: -x, y, -z -1 0 0 0 0 1 0 0 0 0 -1 0 position 3: x+1/2, y+1/2, z 1 0 0 0.5 0 1 0 0.5 0 0 1 0 position 4: -x+1/2, y+1/2, -z -1 0 0 0.5 0 1 0 0.5 0 0 -1 0 80 AA or 9.12 kDa per monomer Input substructure ATOM 146 NH2 ARG A 29 26.741 69.549 14.238 1.00 35.22 N ATOM 198 NH2 ARG A 35 48.758 66.690 5.836 1.00 54.07 N ATOM 229 NH2 ARG A 39 56.283 70.051 20.880 1.00 51.61 N ATOM 427 NH2 ARG A 63 43.555 78.851 5.845 1.00 30.46 N ATOM 471 NH2 ARG A 69 32.691 76.766 22.646 1.00 53.74 N ATOM 708 NH2 ARG B 29 23.226 67.995 14.676 1.00 37.68 N ATOM 760 NH2 ARG B 35 30.147 49.536 9.741 1.00 52.37 N ATOM 984 NH2 ARG B 63 41.688 60.194 7.738 1.00 26.66 N ATOM 1028 NH2 ARG B 69 32.221 68.754 23.848 1.00 47.36 N ATOM 1230 NH2 ARG C 29 20.247 69.975 14.219 1.00 39.14 N ATOM 1282 NH2 ARG C 35 13.487 48.044 8.819 1.00 47.85 N ATOM 1313 NH2 ARG C 39 14.994 41.156 23.531 1.00 35.16 N ATOM 1502 NH2 ARG C 63 26.151 50.140 9.480 1.00 28.64 N ATOM 1546 NH2 ARG C 69 25.477 63.775 24.638 1.00 43.66 N ATOM 1784 NH2 ARG D 29 19.170 73.474 13.564 1.00 42.05 N ATOM 1836 NH2 ARG D 35 -1.381 64.220 6.987 1.00 55.49 N ATOM 1867 NH2 ARG D 39 -6.822 59.306 20.889 1.00 51.85 N ATOM 2064 NH2 ARG D 63 8.468 56.070 8.888 1.00 31.81 N ATOM 2108 NH2 ARG D 69 16.982 66.226 24.257 1.00 40.85 N ATOM 2327 NH2 ARG E 29 21.766 76.261 13.441 1.00 34.92 N ATOM 2379 NH2 ARG E 35 2.470 86.107 3.569 1.00 54.52 N ATOM 2410 NH2 ARG E 39 -6.247 88.171 17.228 1.00 51.28 N ATOM 2603 NH2 ARG E 63 1.936 73.119 6.428 1.00 31.66 N ATOM 2647 NH2 ARG E 69 13.602 74.399 23.113 1.00 52.94 N ATOM 2909 NH2 ARG F 29 25.390 75.978 13.591 1.00 35.22 N ATOM 2961 NH2 ARG F 35 22.948 96.352 2.773 1.00 67.89 N ATOM 3175 NH2 ARG F 63 11.954 89.022 4.111 1.00 36.28 N ATOM 3219 NH2 ARG F 69 17.498 81.007 22.107 1.00 40.74 N ATOM 3431 NH2 ARG G 29 27.607 72.833 13.563 1.00 36.84 N ATOM 3483 NH2 ARG G 35 42.652 87.836 3.741 1.00 46.19 N ATOM 3514 NH2 ARG G 39 44.940 97.674 16.320 1.00 44.59 N ATOM 3699 NH2 ARG G 63 30.405 91.594 4.428 1.00 37.91 N ATOM 3743 NH2 ARG G 69 26.038 82.555 21.988 1.00 37.11 N SOURCE: ncsymm.py TYPE: result ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 0 1 2 3 4 5 6 _____ _____ _____ _____ _____ _____ _____ 984 427 2603 1502 3175 2064 3699 146 3431 1784 708 2327 1230 2909 1028 471 2647 1546 3219 2108 3743 - - - - - - - Sites in each row are related by NCS. Sites in each column belong to a rigid nominal monomer. Site 0 984 41.6880 60.1940 7.7380 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 1 427 43.5550 78.8510 5.8450 Polar -82.7279 90.1335 51.2382 Matrix 0.6261 -0.7734 0.0996 0.7736 0.6321 0.0452 -0.0978 0.0487 0.9940 Vector 63.2699 7.7982 -1.0891 Site 2 2603 1.9360 73.1190 6.4280 Polar 97.2096 90.1724 154.4686 Matrix -0.9023 0.4283 -0.0485 -0.4269 -0.8724 0.2381 0.0597 0.2356 0.9700 Vector 14.4002 141.8979 -17.9587 Site 3 1502 26.1510 50.1400 9.4800 Polar -97.2721 -89.8671 51.2383 Matrix 0.6261 0.7736 -0.0978 -0.7734 0.6321 0.0487 0.0996 0.0452 0.9940 Vector -45.7515 44.0553 -5.5686 Site 4 3175 11.9540 89.0220 4.1110 Polar 82.7904 -89.8276 154.4685 Matrix -0.9023 -0.4269 0.0597 0.4283 -0.8724 0.2356 -0.0485 0.2381 0.9700 Vector 74.6403 121.8525 -15.6738 Site 5 2064 8.4680 56.0700 8.8880 Polar 97.6841 89.9200 103.0823 Matrix -0.2263 0.9651 -0.1319 -0.9655 -0.2044 0.1612 0.1286 0.1639 0.9781 Vector -39.1063 107.3675 -14.4576 Site 6 3699 30.4050 91.5940 4.4280 Polar 82.4945 -90.0410 103.0524 Matrix -0.2258 -0.9659 0.1264 0.9657 -0.2049 0.1594 -0.1281 0.1581 0.9791 Vector 96.7316 62.1524 -8.1533 Sites not related by NCS: 198 229 760 1282 1313 1836 1867 2379 2410 2961 3483 3514 Missing sites completed None ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~