Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MTLIAARRYSATMHGSASEACGSVDHLVDRHPTVSPVRLIAQLRPPPTFAEVSFATYRPDPVEPTQAAAVVACQDFCRQAVERRAGRKKWFGKRDVLPGVGLYLDGGFGVGKTHLLASAYYQLPGTGPDAPTCPKAFATFGELTQLAGVFG---FADCIDLL--ANYTALCIDEFELDDPGN-----------TTLISRLLSALV----ERGVSVAATSNTLPEQLGEGRFAAQDFLREINTLASIFTTVRIEGPDYRHRDLPPAPAPLSDEEVAARAARVEGATLDDFDALCAHLATMHPSRYLTLIEGVTAVFLTGVHGIDDQNVALRLVALVDRLYDAGIPVVASGAKLDTIFSEEMLAGGYRKKYLRATSRLLALTAGVIQAREP |
4CR2 Chain:I ((214-331)) | ------------------------------------------------------------------------------------------------KPPKGVILYGAPGTGKTLLAKAVANQTS--------ATFLRIVGSELIQKYLGDGPRLCRQIFKVAGENAPSIVFIDEIDAIGTKRYDSNSGGEREIQRTMLELLNQLDGFDDRGDVKVIMATNKI----------------------------------------------------------------------------------------------------------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 4CR2.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -47765 for 598 contacts (-79.9/contact) +
2D Compatibility (PS) -10389 + (NN) -5973 + (LL) 18536
1D Compatibility (HY) -400 + (ID) 1150
Total energy: -47141.0 ( -78.83 by residue)
QMean score : 0.252
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