|||)) 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 #154 is loaded. File /usr/local/rri/ccl/lib/symlib read. SOURCE: cpl.io.coordinates.__init__ TYPE: result ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ Coordinates file: ./1GT7.pdb.sub ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ a = 225.76 angstrom b = 225.76 angstrom c = 285.645 angstrom alpha= 90 degree beta = 90 degree gamma= 120 degree P3221 trigonal No. 154 Positions: 6 position 1: x, y, z 1 0 0 0 0 1 0 0 0 0 1 0 position 2: -y, x-y, z+2/3 0 -1 0 0 1 -1 0 0 0 0 1 0.666667 position 3: -x+y, -x, z+1/3 -1 1 0 0 -1 0 0 0 0 0 1 0.333333 position 4: y, x, -z 0 1 0 0 1 0 0 0 0 0 -1 0 position 5: x-y, -y, -z+1/3 1 -1 0 0 0 -1 0 0 0 0 -1 0.333333 position 6: -x, -x+y, -z+2/3 -1 0 0 0 -1 1 0 0 0 0 -1 0.666667 274 AA or 31.236 kDa per monomer Input substructure ATOM 7 SD MET A 1 -32.895 66.548 101.495 1.00 41.77 S ATOM 508 SD MET A 62 -34.279 79.645 73.285 1.00 58.32 S ATOM 1464 SD MET A 186 -30.787 72.988 58.467 1.00 39.00 S ATOM 1904 SD MET A 244 -36.823 38.755 55.370 1.00 30.12 S ATOM 2143 SD MET B 1 -3.178 52.441 99.497 1.00 41.86 S ATOM 2644 SD MET B 62 8.870 49.728 70.880 1.00 58.34 S ATOM 3600 SD MET B 186 1.733 44.106 57.004 1.00 39.09 S ATOM 4040 SD MET B 244 -32.668 49.486 54.378 1.00 30.17 S ATOM 4279 SD MET C 1 -16.927 22.696 102.377 1.00 41.96 S ATOM 4780 SD MET C 62 -20.767 6.613 75.945 1.00 58.41 S ATOM 5736 SD MET C 186 -26.976 11.663 61.413 1.00 38.93 S ATOM 6176 SD MET C 244 -21.932 45.335 53.619 1.00 30.02 S ATOM 6415 SD MET D 1 -46.568 36.689 104.546 1.00 41.85 S ATOM 6916 SD MET D 62 -63.824 36.618 78.582 1.00 58.33 S ATOM 7872 SD MET D 186 -59.457 40.594 63.000 1.00 39.08 S ATOM 8312 SD MET D 244 -26.082 34.622 54.537 1.00 30.04 S ATOM 8551 SD MET E 1 3.292 94.711 89.424 1.00 42.08 S ATOM 9052 SD MET E 62 -13.051 82.247 66.041 1.00 58.45 S ATOM 10008 SD MET E 186 -24.790 89.307 56.565 1.00 39.09 S ATOM 10448 SD MET E 244 -21.672 123.678 51.259 1.00 30.20 S ATOM 10687 SD MET F 1 -21.338 108.589 106.448 1.00 41.71 S ATOM 11188 SD MET F 62 -48.273 111.875 91.469 1.00 58.45 S ATOM 12144 SD MET F 186 -51.151 117.856 76.131 1.00 39.34 S ATOM 12584 SD MET F 244 -25.698 112.777 52.746 1.00 30.52 S ATOM 12823 SD MET G 1 -8.476 138.270 101.069 1.00 41.83 S ATOM 13324 SD MET G 62 -21.472 155.055 78.401 1.00 58.42 S ATOM 14280 SD MET G 186 -25.527 150.505 62.881 1.00 39.26 S ATOM 14720 SD MET G 244 -34.512 116.973 58.869 1.00 30.46 S ATOM 14959 SD MET H 1 16.063 124.504 84.386 1.00 41.87 S ATOM 15460 SD MET H 62 13.872 125.509 53.407 1.00 58.05 S ATOM 16416 SD MET H 186 0.988 121.950 43.560 1.00 38.98 S ATOM 16856 SD MET H 244 -30.584 127.737 57.283 1.00 30.30 S ATOM 17095 SD MET I 1 24.520 14.882 92.086 1.00 42.37 S ATOM 17596 SD MET I 62 10.980 27.469 67.097 1.00 58.41 S ATOM 18552 SD MET I 186 17.594 37.446 55.508 1.00 39.32 S ATOM 18992 SD MET I 244 51.550 33.079 49.002 1.00 30.69 S ATOM 19231 SD MET J 1 39.393 41.714 104.247 1.00 41.92 S ATOM 19732 SD MET J 62 42.162 65.898 84.908 1.00 58.59 S ATOM 20688 SD MET J 186 47.280 66.276 69.153 1.00 39.35 S ATOM 21128 SD MET J 244 40.876 37.438 50.414 1.00 30.56 S ATOM 21367 SD MET K 1 68.655 27.662 99.399 1.00 42.10 S ATOM 21868 SD MET K 62 84.316 36.774 74.113 1.00 58.52 S ATOM 22824 SD MET K 186 79.073 38.437 58.443 1.00 39.62 S ATOM 23264 SD MET K 244 45.396 47.282 54.787 1.00 30.76 S ATOM 23503 SD MET L 1 54.012 1.067 87.562 1.00 42.39 S ATOM 24004 SD MET L 62 53.318 -1.775 56.660 1.00 58.46 S ATOM 24960 SD MET L 186 49.192 9.466 45.161 1.00 39.43 S ATOM 25400 SD MET L 244 56.058 42.816 53.351 1.00 30.69 S ATOM 25639 SD MET M 1 -54.171 -6.428 100.391 1.00 42.44 S ATOM 26140 SD MET M 62 -43.032 3.543 73.165 1.00 58.46 S ATOM 27096 SD MET M 186 -33.299 -4.411 62.236 1.00 39.25 S ATOM 27536 SD MET M 244 -36.694 -39.052 61.118 1.00 30.57 S ATOM 27775 SD MET N 1 -26.359 -18.375 113.399 1.00 42.11 S ATOM 28276 SD MET N 62 -2.841 -23.196 93.602 1.00 58.40 S ATOM 29232 SD MET N 186 -3.009 -30.704 78.763 1.00 39.49 S ATOM 29672 SD MET N 244 -32.740 -28.216 60.644 1.00 30.56 S ATOM 29911 SD MET O 1 -39.360 -48.535 113.653 1.00 42.22 S ATOM 30412 SD MET O 62 -30.800 -67.551 90.609 1.00 58.59 S ATOM 31368 SD MET O 186 -29.969 -64.589 74.281 1.00 39.69 S ATOM 31808 SD MET O 244 -22.654 -31.668 65.217 1.00 30.68 S ATOM 32047 SD MET P 1 -67.115 -36.638 100.869 1.00 42.20 S ATOM 32548 SD MET P 62 -71.049 -40.693 70.289 1.00 58.50 S ATOM 33504 SD MET P 186 -60.390 -38.090 57.793 1.00 39.21 S ATOM 33944 SD MET P 244 -26.604 -42.575 65.630 1.00 30.57 S ATOM 34183 SD MET Q 1 -76.128 73.483 98.045 1.00 42.07 S ATOM 34684 SD MET Q 62 -67.026 57.851 72.701 1.00 58.33 S ATOM 35640 SD MET Q 186 -75.352 46.424 63.923 1.00 38.94 S ATOM 36080 SD MET Q 244 -110.019 49.703 63.289 1.00 29.97 S ATOM 36319 SD MET R 1 -87.704 48.281 115.974 1.00 41.71 S ATOM 36820 SD MET R 62 -93.292 21.830 100.631 1.00 58.27 S ATOM 37776 SD MET R 186 -101.219 19.518 86.157 1.00 39.31 S ATOM 38216 SD MET R 244 -99.199 45.720 63.204 1.00 30.10 S ATOM 38455 SD MET S 1 -117.744 61.574 114.887 1.00 41.63 S ATOM 38956 SD MET S 62 -137.546 49.400 94.364 1.00 58.37 S ATOM 39912 SD MET S 186 -135.143 45.672 78.196 1.00 39.22 S ATOM 40352 SD MET S 244 -102.537 36.597 69.483 1.00 30.43 S ATOM 40591 SD MET T 1 -106.289 86.508 97.166 1.00 42.01 S ATOM 41092 SD MET T 62 -111.397 85.263 66.604 1.00 58.35 S ATOM 42048 SD MET T 186 -109.134 72.627 56.005 1.00 39.15 S ATOM 42488 SD MET T 244 -113.396 40.665 69.614 1.00 30.13 S SOURCE: ncsymm.py TYPE: result ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 0 1 2 3 4 5 6 7 8 9 10 11 12 _____ _____ _____ _____ _____ _____ _____ _____ _____ _____ _____ _____ _____ 36080 21128 29672 40352 18992 4040 38216 31808 12584 14720 6176 27536 23264 42048 18552 27096 37776 24960 1464 35640 29232 10008 12144 3600 33504 20688 41092 17596 26140 36820 24004 508 34684 28276 9052 11188 2644 32548 19732 40591 17095 25639 36319 23503 7 34183 27775 8551 10687 2143 32047 19231 13 14 15 16 17 18 19 _____ _____ _____ _____ _____ _____ _____ 10448 25400 1904 16856 42488 33944 8312 16416 22824 7872 14280 39912 31368 5736 15460 21868 6916 13324 38956 30412 4780 14959 21367 6415 12823 38455 29911 4279 Sites in each row are related by NCS. Sites in each column belong to a rigid nominal monomer. Site 0 36080 -110.0190 49.7030 63.2890 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 21128 40.8760 37.4380 50.4140 Polar -92.9365 119.6045 101.7351 Matrix 0.0895 -0.8806 0.4654 0.8198 -0.2002 -0.5366 0.5657 0.4295 0.7039 Vector -117.1108 39.8510 66.8602 Site 2 29672 -32.7400 -28.2160 60.6440 Polar 145.2377 -19.6374 38.6834 Matrix 0.8439 -0.2166 -0.4909 0.0230 0.9287 -0.3702 0.5360 0.3011 0.7887 Vector -35.5949 130.4957 53.1036 Site 3 40352 -102.5370 36.5970 69.4830 Polar -59.5310 103.1031 180.0000 Matrix -0.9236 0.1982 0.3281 0.1982 -0.4858 0.8513 0.3281 0.8513 0.4094 Vector 21.0320 -284.0970 166.7112 Site 4 18992 51.5500 33.0790 49.0020 Polar 86.9385 -84.6772 179.7106 Matrix -0.9828 0.0049 0.1845 0.0149 -0.9943 0.1057 0.1839 0.1067 0.9771 Vector 43.4068 -117.7062 2.2583 Site 5 4040 -32.6680 49.4860 54.3780 Polar -105.1387 -174.2343 27.8207 Matrix 0.9910 0.0163 -0.1326 -0.0743 0.8923 -0.4453 0.1111 0.4512 0.8855 Vector 84.1301 24.8958 -11.9799 Site 6 38216 -99.1990 45.7200 63.2040 Polar -120.4690 -76.8969 90.0002 Matrix 0.0382 0.9385 -0.3430 -0.7404 0.2571 0.6211 0.6711 0.2303 0.7047 Vector 172.0278 -149.5086 50.2679 Site 7 31808 -22.6540 -31.6680 65.2170 Polar 124.0444 73.7548 101.6213 Matrix -0.1369 0.6233 -0.7699 -0.9351 0.1751 0.3080 0.3268 0.7621 0.5589 Vector 117.2760 -23.0042 139.9438 Site 8 12584 -25.6980 112.7770 52.7460 Polar 102.5263 112.2569 172.9216 Matrix -0.7200 0.2711 0.6388 0.0484 -0.8987 0.4360 0.6923 0.3448 0.6339 Vector -24.5082 -45.7964 60.9574 Site 9 14720 -34.5120 116.9730 58.8690 Polar -69.8927 129.0738 103.3355 Matrix 0.2005 -0.4589 0.8655 0.9598 -0.0852 -0.2675 0.1965 0.8844 0.4234 Vector -156.7887 118.8084 160.3557 Site 10 6176 -21.9320 45.3350 53.6190 Polar -109.5918 -94.8233 93.0821 Matrix -0.0472 0.9094 -0.4132 -0.9654 0.0647 0.2526 0.2565 0.4108 0.8749 Vector -46.5492 -80.1964 5.8593 Site 11 27536 -36.6940 -39.0520 61.1180 Polar 86.9476 -84.4349 90.3399 Matrix 0.0035 -0.9887 0.1501 0.9990 -0.0031 -0.0436 0.0436 0.1501 0.9877 Vector 3.8975 74.0797 -4.4079 Site 12 23264 45.3960 47.2820 54.7870 Polar -104.9537 -174.7688 55.5702 Matrix 0.9677 -0.0352 -0.2497 -0.1806 0.5943 -0.7837 0.1760 0.8034 0.5688 Vector 53.3356 183.8345 135.3404 Site 13 10448 -21.6720 123.6780 51.2590 Polar 93.0524 95.5651 90.3399 Matrix 0.0035 0.9990 0.0436 -0.9887 -0.0031 0.1501 0.1501 -0.0436 0.9877 Vector -73.8305 4.7430 6.9989 Site 14 25400 56.0580 42.8160 53.3510 Polar 99.5654 71.0236 103.3615 Matrix -0.1045 0.8417 -0.5298 -0.9729 -0.1971 -0.1212 -0.2064 0.5027 0.8394 Vector 212.5237 24.5232 74.0873 Site 15 1904 -36.8230 38.7550 55.3700 Polar -77.4533 112.6794 93.4309 Matrix 0.0903 -0.8124 0.5761 0.9857 -0.0098 -0.1683 0.1424 0.5831 0.7999 Vector -22.7995 158.6714 -8.7455 Site 16 16856 -30.5840 127.7370 57.2830 Polar -61.3848 -162.0785 40.2798 Matrix 0.9283 0.2695 0.2561 -0.0798 0.8173 -0.5707 -0.3631 0.5093 0.7802 Vector -10.1718 283.2090 83.2273 Site 17 42488 -113.3960 40.6650 69.6140 Polar -59.5310 103.1031 90.0002 Matrix 0.0382 -0.7404 0.6711 0.9385 0.2571 0.2303 -0.3430 0.6211 0.7047 Vector -150.9957 -134.5894 116.4442 Site 18 33944 -26.6040 -42.5750 65.6300 Polar 70.0027 -94.6583 174.2749 Matrix -0.9834 -0.1455 -0.1085 0.0414 -0.7617 0.6466 -0.1767 0.6314 0.7551 Vector -38.1620 -194.5679 110.3149 Site 19 8312 -26.0820 34.6220 54.5370 Polar -73.1977 99.0587 180.0000 Matrix -0.9546 0.0871 0.2850 0.0871 -0.8329 0.5466 0.2850 0.5466 0.7874 Vector -28.8195 -121.6387 83.5735 Sites not related by NCS: None Missing sites completed None ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~