|||)) Welcome to CPL M0.15.9 |||\\ Renz Research, Inc. Loading the Space-group Database ... __________ \ ____ / \ \ / / \ \/ / \ / \/ Yield! .................................................... File /home/renz/code/ccl/lib/symlib is open for read. ............................................................... The space-group #19 is loaded. File /home/renz/code/ccl/lib/symlib read. SOURCE: cpl.io.coordinates.__init__ TYPE: result ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ Coordinates file: ./1BHN.pdb.sub ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ a = 89.88 angstrom b = 92.11 angstrom c = 131.63 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 0 152 AA or 17.328 kDa per monomer Input substructure ATOM 293 SD MET A 38 29.331 3.259 38.786 1.00 18.23 S ATOM 321 SD MET A 41 25.754 -2.361 30.177 1.00 31.83 S ATOM 550 SD MET A 68 27.448 -12.830 35.829 1.00 23.90 S ATOM 604 SD MET A 76 32.036 0.089 39.395 1.00 21.55 S ATOM 714 SD MET A 90 41.359 -1.972 45.377 1.00 23.77 S ATOM 1551 SD MET B 38 22.180 -12.246 68.525 1.00 14.14 S ATOM 1579 SD MET B 41 24.431 -18.033 77.704 1.00 34.19 S ATOM 1808 SD MET B 68 34.624 -16.483 77.838 1.00 35.67 S ATOM 1862 SD MET B 76 25.355 -13.922 67.777 1.00 25.83 S ATOM 1972 SD MET B 90 32.429 -14.941 58.605 1.00 42.29 S ATOM 2809 SD MET C 38 46.259 12.609 67.308 1.00 15.73 S ATOM 2837 SD MET C 41 55.785 18.051 64.414 1.00 34.57 S ATOM 3066 SD MET C 68 56.672 12.546 55.169 1.00 32.14 S ATOM 3120 SD MET C 76 48.240 9.490 65.440 1.00 24.49 S ATOM 3230 SD MET C 90 46.870 -1.920 64.827 1.00 28.42 S ATOM 4067 SD MET D 38 20.638 -8.831 71.101 1.00 13.58 S ATOM 4095 SD MET D 41 10.500 -13.412 71.525 1.00 39.54 S ATOM 4324 SD MET D 68 6.403 -7.321 63.966 1.00 36.14 S ATOM 4378 SD MET D 76 18.514 -5.979 70.530 1.00 25.33 S ATOM 4488 SD MET D 90 19.501 6.106 70.722 1.00 23.67 S ATOM 5325 SD MET E 38 25.249 4.582 39.616 1.00 19.95 S ATOM 5353 SD MET E 41 26.167 12.247 31.668 1.00 35.56 S ATOM 5582 SD MET E 68 26.803 20.466 38.208 1.00 23.16 S ATOM 5636 SD MET E 76 23.284 7.427 41.633 1.00 21.84 S ATOM 5746 SD MET E 90 16.573 8.856 51.024 1.00 21.33 S ATOM 6583 SD MET F 38 43.765 16.048 66.250 1.00 17.66 S ATOM 6611 SD MET F 41 46.059 21.230 75.925 1.00 24.01 S ATOM 6840 SD MET F 68 36.210 18.618 80.210 1.00 31.16 S ATOM 6894 SD MET F 76 40.164 17.474 66.644 1.00 15.80 S ATOM 7004 SD MET F 90 30.440 19.791 60.919 1.00 21.14 S SOURCE: ncsymm.py TYPE: result ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 0 1 2 3 4 5 _____ _____ _____ _____ _____ _____ 4067 5325 293 1551 2809 6583 4378 5636 604 1862 3120 6894 4095 5353 321 1579 2837 6611 4488 5746 714 1972 3230 7004 1808 5582 550 4324 3066 6840 Sites in each row are related by NCS. Sites in each column belong to a rigid nominal monomer. Site 0 4067 20.6380 -8.8310 71.1010 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 5325 25.2490 4.5820 39.6160 Polar -133.4821 -164.9295 119.8805 Matrix 0.2373 -0.5587 -0.7947 -0.8859 0.2112 -0.4130 0.3986 0.8020 -0.4449 Vector -32.7522 91.6541 -120.1109 Site 2 293 29.3310 3.2590 38.7860 Polar -53.5492 149.1880 179.9949 Matrix -0.0455 0.8209 0.5693 0.8209 -0.2940 0.4896 0.5693 0.4896 -0.6605 Vector -2.7145 41.0570 -53.4654 Site 3 1551 22.1800 -12.2460 68.5250 Polar -131.1972 48.8032 179.8351 Matrix -0.5088 0.6512 -0.5631 0.6545 -0.1323 -0.7444 -0.5593 -0.7473 -0.3589 Vector -55.5741 32.3768 -10.9994 Site 4 2809 46.2590 12.6090 67.3080 Polar 93.6745 -78.5669 179.9982 Matrix -0.9217 -0.0254 0.3870 -0.0254 -0.9918 -0.1254 0.3870 -0.1254 0.9135 Vector 37.5185 13.2849 -6.7172 Site 5 6583 43.7650 16.0480 66.2500 Polar -46.5179 15.0705 119.8805 Matrix 0.2373 -0.8859 0.3986 -0.5587 0.2112 0.8020 -0.7947 -0.4130 -0.4449 Vector 136.8454 58.6679 -41.6082 Sites not related by NCS: None Missing sites completed None ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~