Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
| Query sequence | MRHSKRTHCPDWDSRESWGHESYRGSHKRKRRSHSSTQENRHCKPHHQFKESDCHYLEARSLNERDYRDRRYVDEYRNDYCEGYVPRHYHRDIESGYRIHCSKSSVRSRRSSPKRKRNRHCSSHQSRSKSHRRKRSRSIEDDEEGHLICQSGDVLRARYEIVDTLGEGAFGKVVECIDHGMDGMHVAVKIVKNVGRYREAARSEIQVLEHLNSTDPNSVFRCVQMLEWFDHHGHVCIVFELLGLSTYDFIKENSFLPFQIDHIRQMAYQICQSINFLHHNKLTHTDLKPENILFVKSDYVVKYNSKMKRDERTLKNTDIKVVDFGSATYDD---EHHSTLVSTRHYRAPEVILAL-GWSQPCDVWSIGCILIEYYLGFTVFQTHDSKEHLAMMERILGPIPQHMIQKTRKRKYFHHNQLDWDEHSSAGRYVRRR---CKPLKEFMLCHDEEHEKLFDLVRRMLEYDPTQRITLDEALQHPFFDLLKKK |
| 1UA2 Chain:A ((13-297)) | ---------------------------------------------------------------------------------------------------------------------------------------------------------------EKLDFLGEGQFATVYKARDK-NTNQIVAIKKI------NRTALREIKLLQELS--HPN----IIGLLDAFGHKSNISLVFDFMETDLEVIIKDNS-LVLTPSHIKAYMLMTLQGLEYLHQHWILHRDLKPNNLLLD-------------------ENGVLKLADFGLAKSFGSPNRAYTHQVVTRWYRAPELLFGARMYGVGVDMWAVGCILAELLLRVPFLPGDSDLDQLTRIFETLGTPTEE----------------QWPDMCSLPDYVTFKSFPGIPLHHIFSA---AGDDLLDLIQGLFLFNPCARITATQALKMKYFSNRPGP |
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General information:
TITO was launched using:
| RESULT:
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Template: 1UA2.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -177665 for 2146 contacts (-82.8/contact) +
2D Compatibility (PS) -28405 + (NN) -8175 + (LL) 10696
1D Compatibility (HY) -22000 + (ID) 4100
Total energy: -229649.0 ( -107.01 by residue)
QMean score : 0.436
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