Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MFENYQFPKDFLWGGAIAANQAEGAFKVDGKGISLADLHKYHKGKTNDEISEEQHKGVSLADIKASIEDKINYYPKRHGIDFYHTYPEDLELLAEMGFKTFRTSLDWTRIFPTGEETEPNEAGLKYYDQLIDKIIELGMEPIITILHYETPVEIVLNHGGWHNRKVIDLFEKYGKTVLDRYNKKVKYWIVINQIN-----LIQFEPFNSTAIPYDAVDDYLSATYQAVHNQFVASAKIYEYGKALNPDLMIGTMLADCTAYPFSCDPDDIVLAMKRNRMEYFFADVQFQGEYPQYALNYFEENNIHIEITEEDKAILQKNTMDYLALSYYYSQMVDSKRNDLDPASITPNPHLKANPWGWAVDPKGLYNALSQYWDRYHKPIIIAENGFGMYDKL-ENGEIHDDYRIDYLSAHLKEMKRAM-YGGVEIIAYCAWGPIDIVSCSSAQMEKRYGFIYVDLDNEGNGTGKRIKKDSFSWYKKVIESNGEDLEA |
2XHY Chain:D ((8-479)) | ------LPKDFLWGGAVAAHQVEGGWNKGGKGPSICDVLTGGAHGVPREITKEVLPG--------------KYYPNHEAVDFYGHYKEDIKLFAEMGFKCFRTSIAWTRIFPKGDEAQPNEEGLKFYDDMFDELLKYNIEPVITLSHFEMPLHLVQQYGSWTNRKVVDFFVRFAEVVFERYKHKVKYWMTFNEINNQRNWRAPLFGYCCSGVVYTEHENPEETMYQVLHHQFVASALAVKAARRINPEMKVGCMLAMVPLYPYSCNPDDVMFAQESMRERYVFTDVQLRGYYPSYVLNEWERRGFNIKMEDGDLDVLREGTCDYLGFSYYMTNAVKAEG-------SVPNPYVKASDWGWQIDPVGLRYALCELYERYQRPLFIVENGFGAYDKVEEDGSINDDYRIDYLRAHIEEMKKAVTYDGVDLMGYTPWGCIDCVSFTTGQYSKRYGFIYVNKHDDGTGDMSRSRKKSFNWYKEVIASNGEKL-- |
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General information:
TITO was launched using:
| RESULT:
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Template: 2XHY.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -211678 for 4018 contacts (-52.7/contact) +
2D Compatibility (PS) -48468 + (NN) -18003 + (LL) 2036
1D Compatibility (HY) -48000 + (ID) 10650
Total energy: -334763.0 ( -83.32 by residue)
QMean score : 0.528
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