|||)) 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 #1 is loaded. File /usr/local/rri/ccl/lib/symlib read. SOURCE: cpl.io.coordinates.__init__ TYPE: result ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ Coordinates file: ./1DW9.pdb.sub ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ a = 76.34 angstrom b = 81.03 angstrom c = 82.3 angstrom alpha= 70.3 degree beta = 72.2 degree gamma= 66.4 degree P1 triclinic No. 1 Positions: 1 position 1: x, y, z 1 0 0 0 0 1 0 0 0 0 1 0 156 AA or 17.784 kDa per monomer Input substructure HETATM 7 SE MSE A 1 7.887 19.966 -1.046 1.00 29.15 SE HETATM 589 SE MSE A 77 8.906 12.650 8.499 1.00 33.44 SE HETATM 723 SE MSE A 94 -5.184 12.334 27.776 1.00 16.90 SE HETATM 786 SE MSE A 100 -13.211 21.917 30.891 1.00 16.16 SE HETATM 1242 SE MSE B 1 8.782 19.738 36.669 1.00 23.73 SE HETATM 1820 SE MSE B 77 8.014 8.140 33.185 1.00 36.90 SE HETATM 1954 SE MSE B 94 -10.720 -6.068 35.594 1.00 16.73 SE HETATM 2017 SE MSE B 100 -20.825 -3.685 43.131 1.00 16.93 SE HETATM 2469 SE MSE C 1 -36.497 16.221 -11.674 1.00 25.31 SE HETATM 3044 SE MSE C 77 -40.981 10.259 -1.999 1.00 39.10 SE HETATM 3181 SE MSE C 94 -32.200 -9.461 7.547 1.00 16.73 SE HETATM 3244 SE MSE C 100 -23.624 -17.132 1.851 1.00 16.55 SE HETATM 3693 SE MSE D 1 -35.665 16.443 49.114 1.00 29.24 SE HETATM 4260 SE MSE D 77 -38.352 17.394 37.374 1.00 35.58 SE HETATM 4394 SE MSE D 94 -23.227 20.576 19.494 1.00 16.15 SE HETATM 4457 SE MSE D 100 -11.153 24.574 20.956 1.00 15.71 SE HETATM 4906 SE MSE E 1 -1.576 -14.231 49.101 1.00 26.71 SE HETATM 5484 SE MSE E 77 0.881 -15.334 37.308 1.00 31.64 SE HETATM 5618 SE MSE E 94 -14.502 -18.642 19.552 1.00 16.77 SE HETATM 5681 SE MSE E 100 -26.540 -22.726 21.319 1.00 15.84 SE HETATM 6128 SE MSE F 1 -46.121 -17.891 37.611 1.00 28.53 SE HETATM 6699 SE MSE F 77 -45.516 -6.340 34.112 1.00 37.05 SE HETATM 6833 SE MSE F 94 -26.768 8.083 35.597 1.00 17.06 SE HETATM 6896 SE MSE F 100 -16.493 5.797 42.974 1.00 16.06 SE HETATM 7343 SE MSE G 1 -46.314 -18.164 -0.052 1.00 26.38 SE HETATM 7914 SE MSE G 77 -46.936 -10.802 9.534 1.00 33.52 SE HETATM 8048 SE MSE G 94 -32.388 -10.470 28.288 1.00 17.91 SE HETATM 8111 SE MSE G 100 -24.313 -19.969 31.258 1.00 17.02 SE HETATM 8558 SE MSE H 1 -8.283 -35.600 18.750 1.00 27.09 SE HETATM 9130 SE MSE H 77 -2.142 -26.191 14.359 1.00 36.58 SE HETATM 9264 SE MSE H 94 -11.507 -7.935 1.991 1.00 17.37 SE HETATM 9327 SE MSE H 100 -22.701 -8.706 -4.287 1.00 16.15 SE HETATM 9774 SE MSE I 1 -2.307 -14.589 -12.192 1.00 34.51 SE HETATM10344 SE MSE I 77 2.731 -8.373 -2.915 1.00 43.29 SE HETATM10475 SE MSE I 94 -5.865 11.290 7.023 1.00 16.42 SE HETATM10538 SE MSE I 100 -14.578 18.924 1.583 1.00 16.00 SE HETATM10985 SE MSE J 1 -29.502 37.588 18.720 1.00 28.05 SE HETATM11556 SE MSE J 77 -35.553 27.846 14.948 1.00 33.27 SE HETATM11690 SE MSE J 94 -26.699 9.762 2.164 1.00 16.72 SE HETATM11753 SE MSE J 100 -15.690 10.449 -4.500 1.00 16.14 SE SOURCE: ncsymm.py TYPE: result ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 0 1 2 3 4 5 6 7 8 9 _____ _____ _____ _____ _____ _____ _____ _____ _____ _____ 4457 6896 5681 786 9327 2017 8111 11753 3244 10538 4394 6833 5618 723 9264 1954 8048 11690 3181 10475 10985 3693 8558 1242 9774 4906 6128 2469 7343 7 11556 4260 9130 1820 10344 5484 6699 3044 7914 589 Sites in each row are related by NCS. Sites in each column belong to a rigid nominal monomer. Site 0 4457 -11.1530 24.5740 20.9560 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 6896 -16.4930 5.7970 42.9740 Polar -106.5259 -179.2769 72.0158 Matrix 0.9440 -0.1770 -0.2786 -0.2000 0.3647 -0.9094 0.2625 0.9142 0.3089 Vector 8.5401 28.8914 -3.1521 Site 2 5681 -26.5400 -22.7260 21.3190 Polar 90.2110 90.7738 180.0000 Matrix -0.9996 0.0002 0.0270 -0.0000 -1.0000 0.0074 0.0270 0.0074 0.9996 Vector 114.3251 1.7451 -1.5492 Site 3 786 -13.2110 21.9170 30.8910 Polar 155.9458 132.2439 180.0000 Matrix -0.8498 0.5005 0.1654 0.5005 0.6677 0.5511 0.1654 0.5511 -0.8179 Vector 102.6714 -38.6073 23.5966 Site 4 9327 -22.7010 -8.7060 -4.2870 Polar 124.0773 -100.8869 179.9828 Matrix -0.9511 0.1751 -0.2547 0.1756 -0.3721 -0.9114 -0.2543 -0.9115 0.3232 Vector 116.5752 8.0588 27.9778 Site 5 2017 -20.8250 -3.6850 43.1310 Polar 124.4936 102.4912 179.9553 Matrix -0.9364 0.2025 0.2864 0.2013 -0.3586 0.9115 0.2873 0.9113 0.2950 Vector 105.7191 -27.1303 -4.3346 Site 6 8111 -24.3130 -19.9690 31.2580 Polar 106.5230 0.7078 144.0160 Matrix 0.8534 -0.4863 -0.1876 -0.5002 -0.6628 -0.5572 0.1466 0.5693 -0.8089 Vector 12.3563 40.5928 24.4904 Site 7 11753 -15.6900 10.4490 -4.5000 Polar -73.4741 0.7232 72.0158 Matrix 0.9440 -0.2000 0.2625 -0.1770 0.3647 0.9142 -0.2786 -0.9094 0.3089 Vector -1.4559 -6.1433 29.6263 Site 8 3244 -23.6240 -17.1320 1.8510 Polar 73.4770 -179.2922 144.0160 Matrix 0.8534 -0.5002 0.1466 -0.4863 -0.6628 0.5693 -0.1876 -0.5572 -0.8089 Vector 6.1704 18.9720 44.7462 Site 9 10538 -14.5780 18.9240 1.5830 Polar -155.6101 49.8878 179.9861 Matrix -0.8584 0.4846 -0.1680 0.4846 0.6590 -0.5753 -0.1680 -0.5753 -0.8005 Vector 109.3869 -16.8788 43.4765 Sites not related by NCS: None Missing sites completed None ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~