|||)) 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 #94 is loaded. File /usr/local/rri/ccl/lib/symlib read. SOURCE: cpl.io.coordinates.__init__ TYPE: result ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ Coordinates file: ./1G31.pdb.sub ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ a = 157.677 angstrom b = 157.677 angstrom c = 90.932 angstrom alpha= 90 degree beta = 90 degree gamma= 90 degree P42212 tetragonal No. 94 Positions: 8 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: -y+1/2, x+1/2, z+1/2 0 -1 0 0.5 1 0 0 0.5 0 0 1 0.5 position 4: y+1/2, -x+1/2, z+1/2 0 1 0 0.5 -1 0 0 0.5 0 0 1 0.5 position 5: -x+1/2, y+1/2, -z+1/2 -1 0 0 0.5 0 1 0 0.5 0 0 -1 0.5 position 6: x+1/2, -y+1/2, -z+1/2 1 0 0 0.5 0 -1 0 0.5 0 0 -1 0.5 position 7: y, x, -z 0 1 0 0 1 0 0 0 0 0 -1 0 position 8: -y, -x, -z 0 -1 0 0 -1 0 0 0 0 0 -1 0 111 AA or 12.654 kDa per monomer Input substructure ATOM 337 SG CYS A 49 6.976 44.560 26.917 1.00 64.83 S ATOM 437 SG CYS A 63 9.080 42.653 15.554 1.00 86.27 S ATOM 727 SG CYS A 101 13.449 42.261 23.385 1.00 54.66 S ATOM 784 SG CYS A 108 4.582 35.009 22.857 1.00 62.52 S ATOM 1225 SG CYS B 49 26.829 57.421 27.069 1.00 62.28 S ATOM 1325 SG CYS B 63 26.891 54.818 15.608 1.00 82.86 S ATOM 1615 SG CYS B 101 29.216 50.977 23.448 1.00 52.33 S ATOM 1672 SG CYS B 108 18.002 53.457 22.847 1.00 57.50 S ATOM 2113 SG CYS C 49 49.454 49.984 27.318 1.00 62.62 S ATOM 2213 SG CYS C 63 47.481 48.464 15.827 1.00 85.97 S ATOM 2503 SG CYS C 101 45.846 44.185 23.620 1.00 52.97 S ATOM 2560 SG CYS C 108 40.808 54.474 23.071 1.00 53.31 S ATOM 3001 SG CYS D 49 57.846 27.652 27.352 1.00 66.54 S ATOM 3101 SG CYS D 63 55.326 28.366 15.878 1.00 85.28 S ATOM 3391 SG CYS D 101 51.047 26.845 23.657 1.00 54.82 S ATOM 3448 SG CYS D 108 55.925 37.205 23.191 1.00 53.10 S ATOM 3889 SG CYS E 49 45.543 7.370 27.374 1.00 62.97 S ATOM 3989 SG CYS E 63 44.483 9.702 15.927 1.00 87.87 S ATOM 4279 SG CYS E 101 40.605 12.194 23.658 1.00 53.78 S ATOM 4336 SG CYS E 108 51.780 14.801 23.214 1.00 60.20 S ATOM 4777 SG CYS F 49 21.956 4.214 27.364 1.00 64.50 S ATOM 4877 SG CYS F 63 23.168 6.418 15.856 1.00 87.64 S ATOM 5167 SG CYS F 101 22.667 10.984 23.678 1.00 53.43 S ATOM 5224 SG CYS F 108 31.728 3.933 23.223 1.00 58.51 S ATOM 5665 SG CYS G 49 4.820 20.775 27.153 1.00 64.29 S ATOM 5765 SG CYS G 63 7.418 21.194 15.682 1.00 86.68 S ATOM 6055 SG CYS G 101 10.654 24.411 23.453 1.00 52.19 S ATOM 6112 SG CYS G 108 10.662 12.960 23.010 1.00 62.06 S SOURCE: ncsymm.py TYPE: result ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 0 1 2 3 4 5 6 _____ _____ _____ _____ _____ _____ _____ 6055 3391 1615 4279 727 2503 5167 5665 3001 1225 3889 337 2113 4777 5765 3101 1325 3989 437 2213 4877 6112 3448 1672 4336 784 2560 5224 Sites in each row are related by NCS. Sites in each column belong to a rigid nominal monomer. Site 0 6055 10.6540 24.4110 23.4530 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 3391 51.0470 26.8450 23.6570 Polar 89.7283 -90.3429 154.2858 Matrix -0.9009 -0.4339 -0.0093 0.4338 -0.9009 0.0116 -0.0134 0.0064 0.9999 Vector 71.3333 44.0273 0.2181 Site 2 1615 29.2160 50.9770 23.4480 Polar 90.2719 89.6572 102.8572 Matrix -0.2225 0.9749 -0.0119 -0.9749 -0.2225 -0.0000 -0.0027 0.0116 0.9999 Vector 8.0640 66.7376 -0.2685 Site 3 4279 40.6050 12.1940 23.6580 Polar 89.7281 -90.3428 102.8572 Matrix -0.2225 -0.9749 -0.0027 0.9749 -0.2225 0.0116 -0.0119 -0.0000 0.9999 Vector 66.8581 6.9906 0.3668 Site 4 727 13.4490 42.2610 23.3850 Polar -90.2714 -90.3429 51.4285 Matrix 0.6235 0.7818 -0.0060 -0.7818 0.6235 -0.0029 0.0015 0.0065 1.0000 Vector -12.0376 35.3100 -0.2394 Site 5 2503 45.8460 44.1850 23.6200 Polar 90.2717 89.6571 154.2858 Matrix -0.9009 0.4338 -0.0134 -0.4339 -0.9009 0.0064 -0.0093 0.0116 0.9999 Vector 45.1674 70.6172 -0.0646 Site 6 5167 22.6670 10.9840 23.6780 Polar -89.7283 89.6573 51.4285 Matrix 0.6235 -0.7818 0.0015 0.7818 0.6235 0.0065 -0.0060 -0.0029 1.0000 Vector 35.1119 -12.6033 0.2698 Sites not related by NCS: None Missing sites completed None ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~