Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MTITLYNTLTRQKETFVPLEEGKVKMYVCGPTVYNYIHIGNARPAIVYDTVRNYLEYKGYDVQYVSNFTDVDDKLIKAANELGEDVPTISERFIKAYFEDVGALGCRKADLHPRVMENMDAIIEFVDQLVKKGYAYESE----GDVYFKTRAFEGYGKLSQQSIDEL------RSGARIRVGEKKEDALDFALWKAAKEGEISWDSPWGKGRPGWHIECSAMVKKYLGDQIDIHAGGQDLTFPHHENEIAQSEALTG-KTFAKYWLHNGYINIDNEKMSKSLGNFVLVHDIIKQH-DPQLLRFFMLSVHYRHPINYSEELLENTKSAFSRLKTAYSNLQHRLNSSTNLTEDDDQW--LEKVEEHRKAFEEEMDDDFNTANAISVLFDLAKHANYYLQKDHTADHVITAFIEMFDRIVSVLGFSLGEQELLDQEIEDLIEKRNEARRNRDFALSDQIRDQLKSMNIILEDTAQGTRWKRGE |
3C8Z Chain:B ((20-409)) | -ALRLFDSADRQVRPVTPGP--TATMYVCGITPYDATHLGHAATYLTFDLVHRLWLDAGHTVQYVQNVTDVDDPLFERAERDGIDWRTLGDRETQLFREDMAALRVLPPHDYVAATDAIAEVVEMVEKLLASGAAYIVEDAEYPDVYFRADATAQFGYESGYDRDTMLTLFAERGGDPDRPG--KSDQLDALLWRAERPGEPSWPSPFGRGRPGWHVECSAIALTRIGTGLDIQGGGSDLIFPHHEYSAAHAESVTGERRFARHYVHTGMIG-------------VLVSQLRAQGVDPSAIRLGLFSGHYREDRFWSNEVLDEANARLARWR-----------SATALPEAPDATDVIARVRQY-------LADDLDTPKALAALDGWCTDALSYGGHDTESPRLVATTVDAL------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3C8Z.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -176592 for 3069 contacts (-57.5/contact) +
2D Compatibility (PS) -38197 + (NN) -10071 + (LL) 7296
1D Compatibility (HY) -18800 + (ID) 6500
Total energy: -242864.0 ( -79.13 by residue)
QMean score : 0.481
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