Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MRHSKRTHCPDWDSRESWGHESYSGSHKRKRRSHSSTQENRHCKPHHQFKDSDCHYLEARCLNERDYRDRRYIDEYRNDYCEGYVPRHYHRDVESTYRIHCSKSSVRSRRSSPKRKRNRPCASHQSHSKSHRRKRSRSIEDDEEGHLICQSGDVLRARYEIVDTLGEGAFGKVVECIDHGMDGLHVAVKIVKNVGRYREAARSEIQVLEHLNSTDPNSVFRCVQMLEWFDHHGHVCIVFELLGLSTYDFIKENSFLPFQIDHIRQMAYQICQSINFLHHNKLTHTDLKPENILFVKSDYVVKYNSKMKRDERTLKNTDIKVVDFGSATYDDEHHSTLVSTRHYRAPEVILALGWSQPCDVWSIGCILIEYYLGFTVFQTHDSKEHLAMMERILGPIPAHMIQKTRKRKYFHHNQLDWDEHSSAGRYVRRRCKPLKEFMLCHDEEHEKLFDLVRRMLEYDPARRITLDEALQHPFFDLLKRK |
2VAG Chain:A ((3-336)) | -------------------------------------------------------------------------------------------------------------------------------------------------HLICQSGDVLSARYEIVDTLGEGAFGKVVECIDHKAGGRHVAVKIVKNVDRYCEAARSEIQVLEHLNTTDPNSTFRCVQMLEWFEHHGHICIVFELLGLSTYDFIKENGFLPFRLDHIRKMAYQICKSVNFLHSNKLTHTDLKPENILFVQSDYTEAYN---KRDERTLINPDIKVVDFGSATYDDEHHSTLVSTRHYRAPEVILALGWSQPCDVWSIGCILIEYYLGFTVFPTHDSKEHLAMMERILGPLPKHMIQKTRKRKYFHHDRLDWDEHSSAGRYVSRACKPLKEFMLSQDVEHERLFDLIQKMLEYDPAKRITLREALKHPFFDLLK-- |
|
General information:
TITO was launched using:
| RESULT:
|
Template: 2VAG.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
|
3D Compatibility (PKB) -238458 for 2688 contacts (-88.7/contact) +
2D Compatibility (PS) -35161 + (NN) -6976 + (LL) 6480
1D Compatibility (HY) -46800 + (ID) 14500
Total energy: -335415.0 ( -124.78 by residue)
QMean score : 0.348
|
|
|