|||)) 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 #5 is loaded. File /home/renz/code/ccl/lib/symlib read. SOURCE: cpl.io.coordinates.__init__ TYPE: result ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ Coordinates file: ./1GU9.pdb.sub ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ a = 186.377 angstrom b = 117.28 angstrom c = 88.986 angstrom alpha= 90 degree beta = 113.97 degree gamma= 90 degree C2 monoclinic No. 5 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 0 0 0 0 1 0 0 0 0 -1 0 position 3: x+1/2, y+1/2, z 1 0 0 0.5 0 1 0 0.5 0 0 1 0 position 4: -x+1/2, y+1/2, -z -1 0 0 0.5 0 1 0 0.5 0 0 -1 0 177 AA or 20.178 kDa per monomer Input substructure HETATM 547 SE MSE A 78 81.037 9.352 9.816 1.00 20.61 SE HETATM 559 SE MSE A 80 81.732 5.321 18.815 1.00 21.48 SE HETATM 1841 SE MSE B 78 84.151 33.452 7.304 1.00 25.67 SE HETATM 1853 SE MSE B 80 76.433 29.282 2.657 1.00 22.85 SE HETATM 3135 SE MSE C 78 93.844 21.847 26.478 1.00 21.99 SE HETATM 3147 SE MSE C 80 92.365 31.609 27.384 1.00 21.53 SE HETATM 4385 SE MSE D 78 134.100 38.606 30.837 1.00 18.73 SE HETATM 4397 SE MSE D 80 133.416 34.654 21.808 1.00 18.10 SE HETATM 5679 SE MSE E 78 130.526 62.644 33.555 1.00 28.49 SE HETATM 5691 SE MSE E 80 138.392 58.611 38.120 1.00 23.24 SE HETATM 6973 SE MSE F 78 121.148 51.168 14.217 1.00 22.09 SE HETATM 6985 SE MSE F 80 122.545 60.887 13.372 1.00 23.00 SE HETATM 8239 SE MSE G 78 27.637 52.559 14.474 1.00 23.87 SE HETATM 8251 SE MSE G 80 29.641 62.217 14.031 1.00 25.97 SE HETATM 9480 SE MSE H 78 40.085 38.529 30.413 1.00 19.68 SE HETATM 9492 SE MSE H 80 38.903 35.005 21.141 1.00 23.18 SE HETATM10774 SE MSE I 78 37.892 62.414 34.033 1.00 34.92 SE HETATM10786 SE MSE I 80 45.571 57.846 38.442 1.00 25.77 SE HETATM12060 SE MSE J 78 81.313 67.858 10.181 1.00 20.54 SE HETATM12072 SE MSE J 80 82.520 64.386 19.488 1.00 25.96 SE HETATM13354 SE MSE K 78 84.038 91.653 6.439 1.00 30.78 SE HETATM13366 SE MSE K 80 76.212 87.284 2.111 1.00 25.53 SE HETATM14640 SE MSE L 78 93.956 81.705 26.184 1.00 27.82 SE HETATM14652 SE MSE L 80 92.019 91.389 26.648 1.00 25.79 SE SOURCE: ncsymm.py TYPE: result ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 0 1 2 3 4 5 6 7 8 9 10 11 _____ _____ _____ _____ _____ _____ _____ _____ _____ _____ _____ _____ 4397 6985 13366 12072 8251 5691 1853 10786 14652 559 3147 9492 4385 6973 13354 12060 8239 5679 1841 10774 14640 547 3135 9480 Sites in each row are related by NCS. Sites in each column belong to a rigid nominal monomer. Site 0 4397 133.4160 34.6540 21.8080 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 6985 122.5450 60.8870 13.3720 Polar -79.5953 -148.2805 120.0008 Matrix 0.5500 0.6745 -0.4926 -0.2212 -0.4511 -0.8646 -0.8054 0.5845 -0.0989 Vector 36.5231 124.7929 102.6741 Site 2 13366 76.2120 87.2840 2.1110 Polar -57.7950 121.3256 162.8814 Matrix -0.5772 0.2458 0.7787 0.6713 -0.4002 0.6239 0.4650 0.8829 0.0660 Vector 127.7882 -1.9140 -92.0632 Site 3 12072 82.5200 64.3860 19.4880 Polar -178.1538 134.1983 179.6439 Matrix -0.9990 -0.0450 -0.0052 -0.0448 0.9979 -0.0463 0.0072 -0.0460 -0.9989 Vector 217.3294 36.7146 41.8752 Site 4 8251 29.6410 62.2170 14.0310 Polar -80.4034 -147.8047 124.0570 Matrix 0.5261 0.6522 -0.5457 -0.2182 -0.5167 -0.8279 -0.8220 0.5547 -0.1295 Vector -51.2911 127.1642 107.2311 Site 5 5691 138.3920 58.6110 38.1200 Polar -100.4047 31.7195 120.0008 Matrix 0.5500 -0.2212 -0.8054 0.6745 -0.4511 0.5845 -0.4926 -0.8646 -0.0989 Vector 90.2066 -28.3508 136.0447 Site 6 1853 76.4330 29.2820 2.6570 Polar -59.6065 121.5887 162.8989 Matrix -0.5565 0.2310 0.7981 0.6632 -0.4552 0.5942 0.5005 0.8599 0.1001 Vector 125.2755 -56.2003 -96.1415 Site 7 10786 45.5710 57.8460 38.4420 Polar 99.5609 -148.7721 115.9594 Matrix 0.5846 -0.2583 -0.7691 0.6610 -0.3981 0.6361 -0.4705 -0.8802 -0.0620 Vector -6.7125 -30.2839 133.1372 Site 8 14652 92.0190 91.3890 26.6480 Polar -118.5546 121.7999 162.5204 Matrix -0.5352 -0.6565 0.5315 -0.2080 -0.5074 -0.8362 0.8187 -0.5582 0.1350 Vector 174.6892 154.8601 -66.1693 Site 9 559 81.7320 5.3210 18.8150 Polar -179.6428 -166.7014 179.3421 Matrix -0.9999 -0.0121 -0.0115 -0.0122 0.9999 0.0028 0.0115 0.0029 -0.9999 Vector 215.8068 -27.7965 39.0466 Site 10 3147 92.3650 31.6090 27.3840 Polar 120.3604 -57.8913 162.6382 Matrix -0.5433 -0.6712 0.5043 -0.2350 -0.4551 -0.8589 0.8060 -0.5851 0.0896 Vector 177.0957 97.3611 -61.7547 Site 11 9492 38.9030 35.0050 21.1410 Polar 80.3328 54.2245 4.3717 Matrix 0.9981 0.0612 0.0115 -0.0607 0.9972 -0.0443 -0.0141 0.0435 0.9990 Vector -96.5666 9.4901 -0.2552 Sites not related by NCS: None Missing sites completed None ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~