#command line input /home/ajkal/Software/rosetta_src_2016.46.59086_bundle/main/source/bin/rosetta_scripts.linuxgccrelease -database /home/ajkal/Software/rosetta_src_2016.46.59086_bundle/main/database -in:file:fasta LeishTubulin1.fasta -in:auto_setup_metals -parser:protocol hybridize.xml -default_max_cycles 200 -dualspace -in:file:extra_res_fa GTP/GTP.fa.params GTP/GTP.fa.tors GDP/GDP.fa.params GDP/GDP.fa.tors -in:file:extra_res_cen GTP/GTP.cen.params GDP/GDP.cen.params -detect_disulf false #Nucleotide section of templ_thread.pdb file ATOM 13308 O1G GTP A 880 25.978 73.638 45.021 1.00 0.00 O ATOM 13309 PG GTP A 880 26.844 72.906 46.024 1.00 0.00 P ATOM 13310 O2G GTP A 880 28.234 72.596 45.512 1.00 0.00 O ATOM 13311 O3G GTP A 880 26.165 71.698 46.638 1.00 0.00 O ATOM 13312 O3B GTP A 880 27.072 73.961 47.222 1.00 0.00 O ATOM 13313 PB GTP A 880 26.234 75.215 47.966 1.00 0.00 P ATOM 13314 O1B GTP A 880 25.922 76.207 46.917 1.00 0.00 O ATOM 13315 O2B GTP A 880 26.975 75.616 49.182 1.00 0.00 O ATOM 13316 O3A GTP A 880 24.819 74.457 48.448 1.00 0.00 O ATOM 13317 PA GTP A 880 23.438 74.948 49.267 1.00 0.00 P ATOM 13318 O1A GTP A 880 22.366 75.189 48.277 1.00 0.00 O ATOM 13319 O2A GTP A 880 23.790 75.982 50.265 1.00 0.00 O ATOM 13320 O5' GTP A 880 23.128 73.498 50.079 1.00 0.00 O ATOM 13321 C5' GTP A 880 21.823 73.094 50.397 1.00 0.00 C ATOM 13322 H5' GTP A 880 21.696 72.029 50.202 1.00 0.00 H ATOM 13323 H5'' GTP A 880 21.133 73.662 49.773 1.00 0.00 H ATOM 13324 C4' GTP A 880 21.518 73.375 51.868 1.00 0.00 C ATOM 13325 H4' GTP A 880 22.269 72.991 52.559 1.00 0.00 H ATOM 13326 O4' GTP A 880 21.527 74.788 52.078 1.00 0.00 O ATOM 13327 C1' GTP A 880 20.266 75.234 52.457 1.00 0.00 C ATOM 13328 H1' GTP A 880 20.258 75.500 53.514 1.00 0.00 H ATOM 13329 N9 GTP A 880 20.012 76.528 51.767 1.00 0.00 N ATOM 13330 C8 GTP A 880 20.196 76.860 50.446 1.00 0.00 C ATOM 13331 H8 GTP A 880 20.546 76.110 49.752 1.00 0.00 H ATOM 13332 N7 GTP A 880 19.918 78.100 50.158 1.00 0.00 N ATOM 13333 C5 GTP A 880 19.515 78.641 51.374 1.00 0.00 C ATOM 13334 C6 GTP A 880 19.109 79.973 51.707 1.00 0.00 C ATOM 13335 O6 GTP A 880 19.039 80.956 50.976 1.00 0.00 O ATOM 13336 N1 GTP A 880 18.761 80.098 53.054 1.00 0.00 N ATOM 13337 H1 GTP A 880 18.463 80.994 53.383 1.00 0.00 H ATOM 13338 C2 GTP A 880 18.797 79.060 53.974 1.00 0.00 C ATOM 13339 N2 GTP A 880 18.410 79.350 55.221 1.00 0.00 N ATOM 13340 H21 GTP A 880 18.104 80.247 55.569 1.00 0.00 H ATOM 13341 H22 GTP A 880 18.445 78.595 55.891 1.00 0.00 H ATOM 13342 N3 GTP A 880 19.185 77.836 53.672 1.00 0.00 N ATOM 13343 C4 GTP A 880 19.542 77.677 52.361 1.00 0.00 C ATOM 13344 C3' GTP A 880 20.101 72.913 52.226 1.00 0.00 C ATOM 13345 O3' GTP A 880 20.096 72.471 53.572 1.00 0.00 O ATOM 13346 HO3' GTP A 880 19.247 72.159 53.893 1.00 0.00 H ATOM 13347 H3' GTP A 880 19.199 72.351 51.986 1.00 0.00 H ATOM 13348 C2' GTP A 880 19.279 74.173 51.997 1.00 0.00 C ATOM 13349 H2' GTP A 880 19.056 74.240 50.932 1.00 0.00 H ATOM 13350 O2' GTP A 880 18.075 74.173 52.729 1.00 0.00 O ATOM 13351 HO2' GTP A 880 17.624 74.996 52.527 1.00 0.00 H TER 13352 GTP A 880 ATOM 13352 MG MG A 881 25.296 75.932 44.816 1.00 0.00 MG TER 13353 MG A 881 ATOM 13353 O1B GDP B 882 19.343 49.957 17.007 1.00 0.00 O ATOM 13354 PB GDP B 882 18.806 49.173 15.831 1.00 0.00 P ATOM 13355 O2B GDP B 882 18.357 50.051 14.684 1.00 0.00 O ATOM 13356 O3B GDP B 882 19.755 48.079 15.396 1.00 0.00 O ATOM 13357 O3A GDP B 882 17.493 48.416 16.373 1.00 0.00 O ATOM 13358 PA GDP B 882 15.959 48.605 17.042 1.00 0.00 P ATOM 13359 O1A GDP B 882 14.934 48.554 15.978 1.00 0.00 O ATOM 13360 O2A GDP B 882 15.979 49.736 17.994 1.00 0.00 O ATOM 13361 O5' GDP B 882 15.930 47.156 17.915 1.00 0.00 O ATOM 13362 C5' GDP B 882 14.735 46.474 18.183 1.00 0.00 C ATOM 13363 H50 GDP B 882 14.612 45.677 17.497 1.00 0.00 H ATOM 13364 H51 GDP B 882 13.927 47.151 18.086 1.00 0.00 H ATOM 13365 C4' GDP B 882 14.377 46.620 19.659 1.00 0.00 C ATOM 13366 H40 GDP B 882 15.226 46.460 20.324 1.00 0.00 H ATOM 13367 O4' GDP B 882 13.969 47.961 19.917 1.00 0.00 O ATOM 13368 C1' GDP B 882 12.611 48.025 20.222 1.00 0.00 C ATOM 13369 H10 GDP B 882 12.436 48.350 21.247 1.00 0.00 H ATOM 13370 N9 GDP B 882 12.030 49.126 19.398 1.00 0.00 N ATOM 13371 C8 GDP B 882 12.199 49.389 18.059 1.00 0.00 C ATOM 13372 H80 GDP B 882 12.761 48.697 17.450 1.00 0.00 H ATOM 13373 N7 GDP B 882 11.642 50.493 17.648 1.00 0.00 N ATOM 13374 C5 GDP B 882 11.037 51.002 18.788 1.00 0.00 C ATOM 13375 C6 GDP B 882 10.317 52.225 18.986 1.00 0.00 C ATOM 13376 O6 GDP B 882 10.100 53.129 18.182 1.00 0.00 O ATOM 13377 N1 GDP B 882 9.843 52.347 20.294 1.00 0.00 N ATOM 13378 H1N GDP B 882 9.319 53.166 20.527 1.00 0.00 H ATOM 13379 C2 GDP B 882 10.056 51.417 21.302 1.00 0.00 C ATOM 13380 N2 GDP B 882 9.531 51.695 22.502 1.00 0.00 N ATOM 13381 H21 GDP B 882 9.004 52.517 22.759 1.00 0.00 H ATOM 13382 H22 GDP B 882 9.696 51.019 23.234 1.00 0.00 H ATOM 13383 N3 GDP B 882 10.747 50.306 21.128 1.00 0.00 N ATOM 13384 C4 GDP B 882 11.223 50.144 19.855 1.00 0.00 C ATOM 13385 C3' GDP B 882 13.180 45.741 20.022 1.00 0.00 C ATOM 13386 H30 GDP B 882 12.832 44.709 19.987 1.00 0.00 H ATOM 13387 C2' GDP B 882 11.999 46.680 19.842 1.00 0.00 C ATOM 13388 H20 GDP B 882 11.692 46.659 18.796 1.00 0.00 H ATOM 13389 O2' GDP B 882 10.913 46.293 20.658 1.00 0.00 O ATOM 13390 H2' GDP B 882 10.205 46.921 20.499 1.00 0.00 H ATOM 13391 O3' GDP B 882 13.340 45.308 21.358 1.00 0.00 O ATOM 13392 H3' GDP B 882 12.636 44.745 21.688 1.00 0.00 H TER 13393 GDP B 882 ATOM 13393 MG MG B 883 14.464 47.700 13.992 1.00 0.00 MG TER 13394 MG B 883