|||)) 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 #76 is loaded. File /usr/local/rri/ccl/lib/symlib read. SOURCE: cpl.io.coordinates.__init__ TYPE: result ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ Coordinates file: ./1B4F.pdb.sub ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ a = 73.897 angstrom b = 73.897 angstrom c = 104.547 angstrom alpha= 90 degree beta = 90 degree gamma= 90 degree P41 tetragonal No. 76 Positions: 4 position 1: x, y, z 1 0 0 0 0 1 0 0 0 0 1 0 position 2: -x, -y, z+1/2 -1 0 0 0 0 -1 0 0 0 0 1 0.5 position 3: -y, x, z+1/4 0 -1 0 0 1 0 0 0 0 0 1 0.25 position 4: y, -x, z+3/4 0 1 0 0 -1 0 0 0 0 0 1 0.75 79 AA or 9.006 kDa per monomer Input substructure ATOM 150 SD MET A 23 58.725 54.881 9.738 1.00 39.42 S ATOM 312 SD MET A 44 49.487 60.609 14.093 1.00 29.02 S ATOM 320 SD MET A 45 47.434 68.360 8.678 1.00 46.77 S ATOM 328 SD MET A 46 56.847 66.835 9.609 1.00 38.46 S ATOM 536 SD MET A 70 44.914 56.195 9.262 1.00 37.69 S ATOM 569 SD MET A 74 40.232 57.418 8.159 1.00 37.27 S ATOM 780 SD MET B 23 33.959 70.958 -8.405 1.00 43.41 S ATOM 942 SD MET B 44 35.450 71.183 3.336 1.00 30.96 S ATOM 950 SD MET B 45 39.152 62.610 6.294 1.00 44.64 S ATOM 958 SD MET B 46 32.905 61.863 -0.846 1.00 38.93 S ATOM 1151 SD MET B 70 42.553 73.422 1.656 1.00 40.77 S ATOM 1184 SD MET B 74 46.582 73.156 6.075 1.00 35.36 S ATOM 1384 SD MET C 23 56.209 59.079 34.580 1.00 33.87 S ATOM 1546 SD MET C 44 51.050 49.847 39.472 1.00 27.26 S ATOM 1554 SD MET C 45 43.007 47.683 34.334 1.00 47.84 S ATOM 1562 SD MET C 46 44.479 57.049 35.005 1.00 42.02 S ATOM 1772 SD MET C 70 55.147 45.162 34.476 1.00 28.02 S ATOM 1805 SD MET C 74 53.923 40.447 33.464 1.00 28.10 S ATOM 2009 SD MET D 23 39.750 34.242 17.549 1.00 50.36 S ATOM 2171 SD MET D 44 39.862 35.819 29.226 1.00 34.34 S ATOM 2179 SD MET D 45 48.944 38.968 32.799 1.00 47.55 S ATOM 2187 SD MET D 46 48.951 32.943 24.965 1.00 37.22 S ATOM 2372 SD MET D 70 37.607 43.295 27.792 1.00 48.55 S ATOM 2405 SD MET D 74 38.235 46.839 31.761 1.00 45.53 S ATOM 2598 SD MET E 23 50.938 56.554 62.275 1.00 37.93 S ATOM 2760 SD MET E 44 60.431 51.182 66.572 1.00 27.29 S ATOM 2768 SD MET E 45 62.074 43.209 61.097 1.00 39.98 S ATOM 2776 SD MET E 46 52.917 44.862 62.439 1.00 38.94 S ATOM 2978 SD MET E 70 64.863 55.275 61.375 1.00 28.11 S ATOM 3011 SD MET E 74 69.529 54.138 60.261 1.00 29.16 S ATOM 3224 SD MET F 23 75.044 39.678 44.508 1.00 38.43 S ATOM 3386 SD MET F 44 73.726 39.914 56.079 1.00 29.49 S ATOM 3394 SD MET F 45 70.393 48.888 58.454 1.00 31.35 S ATOM 3402 SD MET F 46 76.794 48.958 51.443 1.00 37.18 S ATOM 3587 SD MET F 70 66.156 37.941 55.010 1.00 36.70 S ATOM 3620 SD MET F 74 62.683 38.431 58.574 1.00 36.25 S ATOM 3829 SD MET G 23 55.090 50.825 89.642 1.00 42.13 S ATOM 4000 SD MET G 44 60.502 60.351 93.593 1.00 30.91 S ATOM 4008 SD MET G 45 68.124 62.206 87.895 1.00 43.70 S ATOM 4016 SD MET G 46 66.776 52.995 89.232 1.00 44.17 S ATOM 4207 SD MET G 70 56.118 64.664 88.624 1.00 37.40 S ATOM 4240 SD MET G 74 57.131 69.371 87.414 1.00 31.75 S ATOM 4438 SD MET H 23 70.583 75.519 70.987 1.00 40.54 S ATOM 4600 SD MET H 44 70.843 74.053 82.508 1.00 29.42 S ATOM 4608 SD MET H 45 62.309 70.438 85.394 1.00 39.65 S ATOM 4616 SD MET H 46 61.605 76.798 78.411 1.00 39.11 S ATOM 4812 SD MET H 70 73.076 66.746 81.062 1.00 40.93 S ATOM 4845 SD MET H 74 72.939 63.101 85.085 1.00 37.61 S SOURCE: ncsymm.py TYPE: result ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 0 1 2 3 4 5 6 7 _____ _____ _____ _____ _____ _____ _____ _____ 1546 2760 4600 4000 2171 3386 312 942 1554 2768 4608 4008 2179 3394 320 950 1562 2776 4616 4016 2187 3402 328 958 1384 2598 4438 3829 2009 3224 150 780 2405 3620 4240 4845 1805 3011 1184 569 2372 3587 4207 4812 1772 2978 1151 536 Sites in each row are related by NCS. Sites in each column belong to a rigid nominal monomer. Site 0 1546 51.0500 49.8470 39.4720 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 2760 60.4310 51.1820 66.5720 Polar -91.5827 88.5981 90.2931 Matrix -0.0045 -0.9986 -0.0522 1.0000 -0.0043 -0.0033 0.0031 -0.0522 0.9986 Vector 42.4197 0.2937 -76.0942 Site 2 4600 70.8430 74.0530 82.5080 Polar -123.9151 178.5013 62.5707 Matrix 0.8318 -0.2689 -0.4855 -0.2304 0.6286 -0.7429 0.5049 0.7298 0.4609 Vector 34.9274 58.0402 -41.2485 Site 3 4000 60.5020 60.3510 93.5930 Polar 89.1104 88.5944 179.3240 Matrix -0.9987 0.0126 -0.0488 -0.0110 -0.9994 -0.0313 -0.0492 -0.0307 0.9983 Vector 40.4710 40.7884 -48.3457 Site 4 2171 39.8620 35.8190 29.2260 Polar -65.7810 107.5956 180.0000 Matrix -0.8480 0.2262 0.4793 0.2262 -0.6634 0.7132 0.4793 0.7132 0.5114 Vector 4.0105 -16.5428 6.5346 Site 5 3386 73.7260 39.9140 56.0790 Polar 128.3337 79.9803 106.1295 Matrix -0.2540 0.6339 -0.7305 -0.8502 0.2138 0.4811 0.4611 0.7433 0.4846 Vector 57.6382 4.1924 35.3259 Site 6 312 49.4870 60.6090 14.0930 Polar -88.3602 -91.1414 90.2042 Matrix -0.0032 1.0000 0.0086 -0.9988 -0.0027 -0.0486 -0.0486 -0.0088 0.9988 Vector -0.2657 40.8576 -23.7251 Site 7 942 35.4500 71.1830 3.3360 Polar 83.3647 -50.7491 105.7964 Matrix 0.2303 -0.6478 0.7262 0.8325 -0.2552 -0.4917 0.5038 0.7178 0.4805 Vector -17.9428 34.8824 -17.3391 Sites not related by NCS: None Missing sites completed None ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~