Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MQENVPLSYDYSISKLFLYAMIAFGIIGMLIGIVLAFELSFPSLNYIA---GEYGVFGRLRPLHTNAVIYGFTLGGIWASWYYIGQRVLKITYHQHP-FLKIVGLLHFWLWILLLVLGVISLFAGL------------TQSKEYAELMWPLDIIVVVAWVLWGVNMFGSMSVRREN-----TIYVSLWYYIATYVGIAVMYIFNNLSIPTYFVADMGSVWHSISMYSGSNDALIQWWWGHNAVAFVFTSGVIGTIYYFLPK-ESGQPIFSYKLTLFSFWSLMFVYIWAGGHHLIYSTVPDWVQTLSSVFSVVLILPSWGTAINMLL---TMRGQWHQLKESPLIKFLVLASTF-YMLSTLEGSIQAIKSVNALAHFTDWIIGHVHDGVLGWVGFTLIASMYHMTPRLFKREIYSGRLVDFQFWIMTLGIVLY-FSSMWIAGITQGMMWRDVDQYGNLTYQFIDTVKALIPYYNIRGVGGLMYFIGFIIFAYNIFMTITAGKKLEREPNYATPMAR |
3AYF Chain:A ((294-770)) | --RRQPLTPSQVKAGKYFVVVSALFFVQTMFGALLAHYYTEPDSFFGINWIYDILPFNIAKGYHLQ-LAIFWIATAWLGMGIFIAPLVGGQ----EPKKQGLLVDLLFWALVVLVGGSMIGQWLGVNGYLGNEWFLLGHQGWEYIELGRIWQIILVVGMLLWLFIVFRGVKRGLKRESDKGGLIHLLFYS---AIAVPFFYIFAFFIQPDT----------N----FTMADFWRWWI-IHLWVEGIFEVFAVVVIGFLLVQLRLVTKKSTVRALYFQFTILLGSGVIGIGHHYYYNGSPEVWIALGAVFSALEVIPLTLLILEAYEQYKMMRDGGANFPYKATFWFLISTAIWNLVGAGVFGFLINLPAVSYFEHGQFLTPAHGHAAMMGVYGMFAIAVLLYSLRNIVKPEAWNDKWLKFSCWMLNIGLAGMVVITLLPVGILQMKEAFIHGYWASRSPSFLQQ-DVVQNLLLVRAVPDTIFLIGVVALLVFAIKALFHLRKPTHGEGEE----- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3AYF.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -381622 for 3758 contacts (-101.5/contact) +
2D Compatibility (PS) -44196 + (NN) 6290 + (LL) 2884
1D Compatibility (HY) -32800 + (ID) 4150
Total energy: -453594.0 ( -120.70 by residue)
QMean score : 0.310
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