Mon Jun 5 11:51:29 PDT 2006 T0317 Make started Mon Jun 5 11:52:11 PDT 2006 Running on cheep.cse.ucsc.edu Mon Jun 5 12:50:59 PDT 2006 Kevin Karplus Fairly strong blast hits almost full length 1wrmA 33%id over 130 residues (E-value 4.3e-14) 1yz4A 32%id over 128 residues (E-value 1.3e-13) 1m3gA 33%id over 129 residues (E-value 1.6e-13) Mon Jun 5 13:44:12 PDT 2006 Kevin Karplus Top hits with HMMs are 1wrmA 1yz4A 1vhrA 1mkp Mon Jun 5 20:50:10 PDT 2006 Kevin Karplus The try1-opt2 model is very close to the 1wrmA alignment. There may not be much to do with this one, though rosetta think that some more work is needed before it can be repacked well. Perhaps I'll do another polishing run after seeing some of the server-based models. Wed Jun 21 20:01:23 PDT 2006 Kevin Karplus The try1-opt2 model agrees extremely well with the top server models (ROBETTA and PROTINFO) so I'm doing a polishing run with breaks and clashes turned up, and constraints, maybe_metal, and maybe_ssbond removed. try2 running on cheep. Wed Jun 21 20:59:24 PDT 2006 Kevin Karplus try2-opt2 closes the gaps and reduces the clashes. The worst remaining breaks are T0317.try2-opt2.pdb.gz breaks before (T0317)P48 with cost 0.839464 T0317.try2-opt2.pdb.gz breaks before (T0317)G49 with cost 0.728284 T0317.try2-opt2.pdb.gz breaks before (T0317)E133 with cost 0.647431 There are very few differences between try1-opt2 and try2-opt2, so I think I might as well submit. Wed Jun 21 21:14:16 PDT 2006 Kevin Karplus submitted try2-opt2 try1-opt2 align 1 (1wrmA) align 2 (1yz4A) align 3 (1vhrA)