|||)) 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 #169 is loaded. File /home/renz/code/ccl/lib/symlib read. SOURCE: cpl.io.coordinates.__init__ TYPE: result ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ Coordinates file: ./1LNQ.pdb.sub ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ a = 137 angstrom b = 137 angstrom c = 373.3 angstrom alpha= 90 degree beta = 90 degree gamma= 120 degree P61 hexagonal No. 169 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+1/3 0 -1 0 0 1 -1 0 0 0 0 1 0.333333 position 3: -x+y, -x, z+2/3 -1 1 0 0 -1 0 0 0 0 0 1 0.666667 position 4: -x, -y, z+1/2 -1 0 0 0 0 -1 0 0 0 0 1 0.5 position 5: y, -x+y, z+5/6 0 1 0 0 -1 1 0 0 0 0 1 0.833333 position 6: x-y, x, z+1/6 1 -1 0 0 1 0 0 0 0 0 1 0.166667 336 AA or 38.304 kDa per monomer Input substructure ATOM 1241 SD MET A 222 61.792 43.390 77.216 1.00 60.37 S ATOM 1363 SD MET A 239 58.336 48.136 49.381 1.00 48.25 S ATOM 1448 SD MET A 250 64.546 37.817 39.575 1.00 56.34 S ATOM 1564 SD MET A 264 66.642 28.856 53.509 1.00 47.45 S ATOM 3353 SD MET B 222 47.035 51.971 30.229 1.00 60.21 S ATOM 3475 SD MET B 239 23.867 67.248 35.210 1.00 47.83 S ATOM 3560 SD MET B 250 12.304 66.506 24.695 1.00 56.48 S ATOM 3676 SD MET B 264 21.244 53.740 18.666 1.00 56.67 S ATOM 5465 SD MET C 222 6.645 75.193 46.944 1.00 60.82 S ATOM 5587 SD MET C 239 12.489 74.565 74.788 1.00 51.55 S ATOM 5672 SD MET C 250 0.505 74.751 84.615 1.00 54.42 S ATOM 5788 SD MET C 264 -8.344 72.107 70.653 1.00 47.72 S ATOM 7577 SD MET D 222 21.521 66.716 93.948 1.00 50.21 S ATOM 7699 SD MET D 239 46.334 54.265 88.953 1.00 52.40 S ATOM 7784 SD MET D 250 51.474 43.962 99.475 1.00 63.39 S ATOM 7900 SD MET D 264 35.933 45.265 105.515 1.00 56.10 S ATOM 9689 SD MET E 222 10.733 60.050 90.417 1.00 64.78 S ATOM 9811 SD MET E 239 2.013 62.948 63.611 1.00 52.87 S ATOM 9896 SD MET E 250 -6.475 75.510 60.007 1.00 59.84 S ATOM 10012 SD MET E 264 -1.691 80.682 75.133 1.00 49.91 S ATOM 11801 SD MET F 222 3.881 63.331 41.174 1.00 62.03 S ATOM 11923 SD MET F 239 26.186 48.264 32.506 1.00 42.76 S ATOM 12008 SD MET F 250 32.346 51.801 18.541 1.00 64.19 S ATOM 12124 SD MET F 264 22.617 65.028 19.704 1.00 59.26 S ATOM 13913 SD MET G 222 46.647 39.365 33.709 1.00 53.73 S ATOM 14035 SD MET G 239 53.521 33.204 60.568 1.00 44.57 S ATOM 14120 SD MET G 250 68.663 32.177 64.171 1.00 56.70 S ATOM 14236 SD MET G 264 70.708 38.937 49.062 1.00 47.51 S ATOM 16025 SD MET H 222 52.913 35.049 83.016 1.00 65.34 S ATOM 16147 SD MET H 239 28.669 46.814 91.685 1.00 45.18 S ATOM 16232 SD MET H 250 28.711 53.924 105.624 1.00 61.92 S ATOM 16348 SD MET H 264 44.983 52.097 104.492 1.00 58.10 S SOURCE: ncsymm.py TYPE: result ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 0 1 2 3 4 5 6 7 _____ _____ _____ _____ _____ _____ _____ _____ 11923 9811 5587 14035 16147 1363 7699 3475 3676 5788 10012 1564 7900 14236 16348 12124 12008 9896 5672 14120 16232 1448 7784 3560 3353 5465 9689 1241 7577 13913 16025 11801 Sites in each row are related by NCS. Sites in each column belong to a rigid nominal monomer. Site 0 11923 26.1860 48.2640 32.5060 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 9811 2.0130 62.9480 63.6110 Polar -88.4402 0.6878 89.9965 Matrix 0.9991 -0.0392 0.0152 -0.0152 0.0008 0.9999 -0.0392 -0.9992 0.0002 Vector 133.2809 -187.3603 184.1539 Site 2 5587 12.4890 74.5650 74.7880 Polar 30.7798 -90.0432 180.0000 Matrix -1.0000 -0.0007 -0.0004 -0.0007 0.4762 0.8793 -0.0004 0.8793 -0.4762 Vector -125.7652 -164.0425 275.3112 Site 3 14035 53.5210 33.2040 60.5680 Polar 90.6625 -1.5837 90.0514 Matrix 0.9991 -0.0392 0.0161 0.0161 -0.0008 -0.9999 0.0392 0.9992 -0.0001 Vector -3.8857 187.4182 188.8562 Site 4 16147 28.6690 46.8140 91.6850 Polar 90.0262 -180.0000 180.0000 Matrix 1.0000 0.0009 -0.0000 0.0009 -1.0000 -0.0000 -0.0000 -0.0000 -1.0000 Vector -137.0050 -0.0625 373.0237 Site 5 1363 58.3360 48.1360 49.3810 Polar -59.2202 -89.9849 180.0000 Matrix -1.0000 -0.0002 0.0004 -0.0002 -0.4762 -0.8793 0.0004 -0.8793 0.4762 Vector 11.0942 164.0218 97.6590 Site 6 7699 46.3340 54.2650 88.9530 Polar 165.7696 -94.9786 180.0000 Matrix -0.9991 0.0414 -0.0104 0.0414 0.8791 -0.4748 -0.0104 -0.4748 -0.8801 Vector -122.9245 91.1381 350.0259 Site 7 3475 23.8670 67.2480 35.2100 Polar -104.2955 -91.2271 179.9982 Matrix -0.9991 -0.0102 -0.0402 -0.0102 -0.8781 0.4784 -0.0402 0.4784 0.8772 Vector -119.0274 -89.7828 20.3335 Sites not related by NCS: None Missing sites completed None ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~