21 May 2000 Kevin Karplus target t92 HI0319 YECO_HAEIN No good hits with blast or double-blast. No PDB chain in T2K alignment of 131 sequences. Good hits with target model E FSSP 1xva[AB] 9.5e-16 1xvaA glycine n-methyltransferase 1bhj[AB] 9.5e-16 1xvaA 1d2c[AB] 9.5e-16 1xvaA 1d2h[ACD] 1.1e-15 1xvaA 1d2g[AB] 1.1e-15 1xvaA 1aq[ij][AB] 3.2e-08 2admA adenine-n6-DNA-methyltransferase taqi 2adm[AB] 3.2e-08 2admA 1xvaA/T0092-1xvaA-local seems to be a good alignment. May want to move the insertion off the end of the helix into the nearby loop region. Conservation on beta sheet is very well clustered. 1xvaA/T0092-1xvaA-global also seems to be a good alignment, though different in several ways from the local one. 1xvaA/1xvaA-T0092-fssp-global also looks pretty good. I suspect our main job on this target will be choosing an alignment. For the template models, 1xvaA again comes out on top: 1xvaA 1.7e-6 1xvaA 1bhjA 3.6e-16 1xvaA 1admA 2.1e-06 2admA 2admA 2.7e-06 2admA 1fbnA 4.0e-05 1fbnA mj fibrillarin homologue 1bc5A 8.7e-05 1af7 chemotaxis receptor methyltransferase (cher, chemotaxi 1af7 9.5e-04 1af7 The two FSSP reps are all similar to 1xvaA NR. STRID1 STRID2 Z RMSD LALI LSEQ2 %IDE REVERS PERMUT NFRAG TOPO PROTEIN 14: 1xvaA 1af7 12.8 5.0 160 275 19 0 0 17 S chemotaxis receptor methyltransferase cher biological_u 15: 1xvaA 1fbnA 12.7 3.0 153 230 9 0 0 16 S mj fibrillarin homologue 16: 1xvaA 2admA 10.4 3.5 152 386 19 0 0 14 S adenine-n6-DNA-methyltransferase taqi Since 1xvaA scores best with the target model, it is probably the best to use as the template, though we could look at how 2admA and 1af7 do as well. Tue Jun 6 13:35:30 PDT 2000 Redid 2ry prediction with new neural net. Mon Jun 26 09:52:06 PDT 2000 Remade 2ry predictions Thurs 20 July 2000 Kevin Karplus Rachel Karchin found a web site http://www.hwi.buffalo.edu/ACA/ACA00/abstracts/text/W0146.html with what appears to be information about both t92 and t93. Both are described as a "core methyltransferase fold of a central beta-sheet surrounded by alpha-helices on both faces." This makes 1xvaA sound like a good model. Fri 21 July 2000 Rachel Karchin measure_shift analysis of the three best-looking alignments. T0092-1xvaA-global 1xvaA-T0092-fssp-global T0092-1xvaA-local The two global alignments look best. On the basis of our secondary structure prediction, the fssp alignment looks better than the global. fssp alignment was edited -- gaps closed to erase unconvincing parts of the alignment.