|||)) 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 #19 is loaded. File /usr/local/rri/ccl/lib/symlib read. SOURCE: cpl.io.coordinates.__init__ TYPE: result ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ Coordinates file: ./1QAW.pdb.sub ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ a = 65.93 angstrom b = 117.96 angstrom c = 147.63 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 76 AA or 8.664 kDa per monomer Input substructure ATOM 63 CA LEU A 15 -3.361 57.342 38.901 1.00 64.15 C ATOM 126 CA LEU A 24 18.371 52.891 36.382 1.00 58.97 C ATOM 242 CA LEU A 38 4.262 62.253 40.356 1.00 64.65 C ATOM 287 CA LEU A 44 5.875 62.198 32.790 1.00 61.08 C ATOM 591 CA LEU B 15 1.847 39.405 38.612 1.00 56.14 C ATOM 654 CA LEU B 24 22.971 38.439 31.131 1.00 47.58 C ATOM 770 CA LEU B 38 9.757 43.369 41.238 1.00 53.35 C ATOM 815 CA LEU B 44 10.137 47.324 34.595 1.00 57.62 C ATOM 1142 CA LEU C 15 6.938 24.568 28.577 1.00 50.58 C ATOM 1205 CA LEU C 24 26.759 29.107 18.779 1.00 36.52 C ATOM 1321 CA LEU C 38 15.218 27.202 31.601 1.00 54.12 C ATOM 1366 CA LEU C 44 14.519 34.026 28.117 1.00 40.57 C ATOM 1679 CA LEU D 15 10.495 17.394 11.655 1.00 48.23 C ATOM 1742 CA LEU D 24 28.328 27.836 2.681 1.00 31.94 C ATOM 1858 CA LEU D 38 19.220 18.752 14.309 1.00 39.69 C ATOM 1903 CA LEU D 44 17.713 26.308 14.900 1.00 34.02 C ATOM 2216 CA LEU E 15 10.981 20.193 -6.913 1.00 42.76 C ATOM 2279 CA LEU E 24 26.907 35.211 -11.757 1.00 35.89 C ATOM 2395 CA LEU E 38 19.922 20.609 -5.189 1.00 39.44 C ATOM 2440 CA LEU E 44 18.923 26.640 -0.498 1.00 32.81 C ATOM 2753 CA LEU F 15 8.208 32.001 -21.102 1.00 51.95 C ATOM 2816 CA LEU F 24 23.101 48.701 -19.893 1.00 40.32 C ATOM 2932 CA LEU F 38 17.292 32.169 -20.909 1.00 49.73 C ATOM 2977 CA LEU F 44 17.116 34.909 -13.662 1.00 39.91 C ATOM 3281 CA LEU G 15 2.725 48.689 -26.310 1.00 63.06 C ATOM 3344 CA LEU G 24 17.864 63.775 -19.392 1.00 57.87 C ATOM 3460 CA LEU G 38 11.686 49.798 -27.556 1.00 56.10 C ATOM 3505 CA LEU G 44 13.037 48.491 -19.930 1.00 45.29 C ATOM 3811 CA LEU H 15 -3.222 65.761 -21.154 1.00 80.25 C ATOM 3874 CA LEU H 24 13.411 76.225 -10.091 1.00 68.49 C ATOM 3990 CA LEU H 38 5.504 68.007 -23.098 1.00 75.12 C ATOM 4035 CA LEU H 44 7.981 62.969 -17.694 1.00 62.43 C ATOM 4339 CA LEU I 15 -7.684 77.424 -6.845 1.00 82.80 C ATOM 4402 CA LEU I 24 10.845 81.883 5.069 1.00 76.44 C ATOM 4518 CA LEU I 38 0.678 80.851 -8.856 1.00 84.34 C ATOM 4563 CA LEU I 44 3.966 74.109 -7.357 1.00 76.65 C ATOM 4863 CA LEU J 15 -9.001 79.978 11.874 1.00 84.89 C ATOM 4926 CA LEU J 24 11.317 78.567 20.964 1.00 77.69 C ATOM 5042 CA LEU J 38 -1.213 84.409 10.478 1.00 89.14 C ATOM 5087 CA LEU J 44 2.107 77.969 7.601 1.00 79.26 C ATOM 5387 CA LEU K 15 -7.396 72.309 28.705 1.00 70.99 C ATOM 5450 CA LEU K 24 14.053 67.771 32.667 1.00 63.59 C ATOM 5566 CA LEU K 38 0.224 77.400 28.895 1.00 81.55 C ATOM 5611 CA LEU K 44 2.837 73.585 22.596 1.00 69.93 C SOURCE: ncsymm.py TYPE: result ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 0 1 2 3 4 5 6 7 8 9 10 _____ _____ _____ _____ _____ _____ _____ _____ _____ _____ _____ 1742 4402 1205 126 5450 4926 3874 2279 2816 654 3344 2440 5087 1903 815 287 5611 4563 2977 3505 1366 4035 2395 5042 1858 770 242 5566 4518 2932 3460 1321 3990 2216 4863 1679 591 63 5387 4339 2753 3281 1142 3811 Sites in each row are related by NCS. Sites in each column belong to a rigid nominal monomer. Site 0 1742 28.3280 27.8360 2.6810 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 4402 10.8450 81.8830 5.0690 Polar -72.4750 176.8026 163.6371 Matrix 0.8168 0.5468 0.1841 0.5768 -0.7818 -0.2368 0.0144 0.2996 -0.9540 Vector -27.7186 87.8451 -1.1489 Site 2 1205 26.7590 29.1070 18.7790 Polar -107.5279 -3.1955 32.7263 Matrix 0.9852 0.0743 -0.1548 0.0168 0.8557 0.5173 0.1709 -0.5122 0.8417 Vector -2.5356 3.4506 25.8671 Site 3 126 18.3710 52.8910 36.3820 Polar -107.5255 -3.1957 98.1823 Matrix 0.8932 0.3801 -0.2402 0.2749 -0.0387 0.9607 0.3559 -0.9241 -0.1391 Vector -16.7539 43.7031 52.5034 Site 4 5450 14.0530 67.7710 32.6670 Polar 107.5250 176.8034 130.9103 Matrix 0.8453 0.5146 -0.1438 0.4343 -0.5048 0.7460 0.3114 -0.6930 -0.6502 Vector -23.9222 67.7250 44.8128 Site 5 4926 11.3170 78.5670 20.9640 Polar -107.5250 -3.1974 163.6371 Matrix 0.8168 0.5768 0.0144 0.5468 -0.7818 0.2996 0.1841 -0.2368 -0.9540 Vector -28.0096 84.1799 24.8114 Site 6 3874 13.4110 76.2250 -10.0910 Polar -72.4750 176.8034 130.9103 Matrix 0.8453 0.4343 0.3114 0.5146 -0.5048 -0.6930 -0.1438 0.7460 -0.6502 Vector -23.1425 77.5573 -24.8277 Site 7 2279 26.9070 35.2110 -11.7570 Polar 72.4721 -3.1953 32.7263 Matrix 0.9852 0.0168 0.1709 0.0743 0.8557 -0.5122 -0.1548 0.5173 0.8417 Vector -1.9794 10.4844 -23.9500 Site 8 2816 23.1010 48.7010 -19.8930 Polar 72.4734 -3.1955 65.4538 Matrix 0.9453 0.1193 0.3035 0.2160 0.4684 -0.8567 -0.2443 0.8754 0.4171 Vector -7.8450 31.5767 -38.3801 Site 9 654 22.9710 38.4390 31.1310 Polar 107.5266 176.8045 65.4538 Matrix 0.9453 0.2160 -0.2443 0.1193 0.4684 0.8754 0.3035 -0.8567 0.4171 Vector -8.7813 19.7420 45.4402 Site 10 3344 17.8640 63.7750 -19.3920 Polar -72.4745 176.8042 98.1823 Matrix 0.8932 0.2749 0.3559 0.3801 -0.0387 -0.9241 -0.2402 0.9607 -0.1391 Vector -15.7343 56.5812 -38.7074 Sites not related by NCS: None Missing sites completed None ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~