Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MDKRRVVVTGVGAVTPIGNDAETSWENAKKGVNGVAKMTRLNPDDFPVKIAAELKDFDVEKYLEKKEARKMDRFTHYAIASAEMAVQDSGLVIDDSNANRVGVWIGSGIGGMETFETQYEIFLNRGHRRVSPFFVPMMIPDMGSGQVSIRFGAKGINSTTVTACATATNSIGDAFKVIERGDADAMITGGAEAPITKMSLAGFTANKALSLNPDPETACRPFDKDRDGFIIGEGAGIVILEEYEHAKARGAKIYAEIVGYGATGDAYHITAPAPNGEGAARAMKMAIDDAGLTPDKVDYINAHGTSTPYNDEYETQAIKTVFGEHAKKLAISSTKSMTGHTLGASGGIEAIFALLTIRDNIIAPTIHLKNQDEVCDLDYVPNEAREANVNVVISNSFGFGGHNATLVFKRIED |
4LS8 Chain:A ((14-425)) | MTKKRVVVTGLGALSPLGNDVDTSWNNAINGVSGIGPITRVDAEEYPAKVAAELKDFNVEDYMDKKEARKMDRFTQYAVVAAKMAVEDADLNITDEIAPRVGVWVGSGIGGLETLESQFEIFLTKGPRRVSPFFVPMMIPDMATGQISIALGAKGVNSCTVTACATGTNSIGDAFKVIQRGDADVMVTGGTEAPLTRMSFAGFSANKALSTNPDPKTASRPFDKNRDGFVMGEGAGIIVLEELEHALARGAKIYGEIVGYGSTGDAYHITAPAQDGEGGARAMQEAIKDAGIAPEEIDYINAHGTSTYYNDKYETMAIKTVFGEHAHKLAVSSTKSMTGHLLGAAGGIEAIFSILAIKEGVIPPTINIQTPDEECDLDYVPDEARRQELNYVLSNSLGFGGHNATLIFKKYQ- |
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General information:
TITO was launched using:
| RESULT:
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Template: 4LS8.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -179622 for 4126 contacts (-43.5/contact) +
2D Compatibility (PS) -44149 + (NN) -18351 + (LL) -76
1D Compatibility (HY) -44800 + (ID) 14550
Total energy: -301548.0 ( -73.08 by residue)
QMean score : 0.509
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