Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MSQNKRVVITGMGALSPIGNDVKTTWENALKGVNGIDKITRIDTEPYSVHLAGELKNFNIEDHIDKKEARRMDRFTQYAIVAAREAVKDAQLDINDNTADRIGVWIGSGIGGMETFEIAHKQLMDKGPRRVSPFFVPMLIPDMATGQVSIDLGAKGPNGATVTACATGTNSIGEAFKIVQRGDADAMITGGTEAPITHMAIAGFSASRALSTNDDIETACRPFQEGRDGFVMGEGAGILVIESLESAQARGANIYAEIVGYGTTGDAYHITAPAPEGEGGSRAMQAAMDDAGIEPKDVQYLNAHGTSTPVGDLNEVKAIKNTFGEAAKHLKVSSTKSMTGHLLGATGGIEAIFSALSIKDSKVAPTIHAVTPDPECDLDIVPNEAQDLDITYAMSNSLGFGGHNAVLVFKKFEA |
4LS5 Chain:A ((17-426)) | ----KRVVVTGLGALSPLGNDVDTSWNNAINGVSGIGPITRVDAEEYPAKVAAELKDFNVEDYMDKKEARKMDRFTQYAVVAAKMAVEDADLNITDEIAPRVGVWVGSGIGGLETLESQFEIFLTKGPRRVSPFFVPMMIPDMATGQISIALGAKGVNSCTVTACATGTNSIGDAFKVIQRGDADVMVTGGTEAPLTRMSFAGFSANKALSTNPDPKTASRPFDKNRDGFVMGEGAGIIVLEELEHALARGAKIYGEIVGYGSTGDAYHITAPAQDGEGGARAMQEAIKDAGIAPEEIDYINAHGTSTYYNDKYETMAIKTVFGEHAHKLAVSSTKSMTGHLLGAAGGIEAIFSILAIKEGVIPPTINIQTPDEECDLDYVPDEARRQELNYVLSNSLGFGGHNATLIFKKYQS |
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General information:
TITO was launched using:
| RESULT:
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Template: 4LS5.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -176917 for 4140 contacts (-42.7/contact) +
2D Compatibility (PS) -43280 + (NN) -15152 + (LL) 220
1D Compatibility (HY) -40400 + (ID) 14000
Total energy: -289529.0 ( -69.93 by residue)
QMean score : 0.522
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