Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MPRARWLQSAALMGALAVVLITAAPVAADAYQVPAPPSPTASCDVISPVAIPCVALGKFADAVAAECRRVGVPDARCVLPLAHRVTQAARDAYLQSWVHRTARFQDALQDPVPLRETQWLGTHNSFNSLSDSFTVSHADSNQQLSLAQQLDIDVRALELDLHYLPRLEGHGAPGVTVCHGLGPKNANLGCTVEPLLATVLPQIANWLNAPGHTEEVILLYLEDQLKNASAYESVVATLDQVLRRADGTSLIYRPNPARRATNGCVPLPLDVSREEIRASGARAVLVGSCAPGWSAAVFDWSGVELESGSNSGYRPYPACDATYGRGVYAWRLVRYYEDSTLATALANPTRPPANPQALTPPKV---PAMTDCGVNLFGFDQLLPEDGRIQASLWSWAPDEPRAGAGACALQGADGRWVAASCGDPHPAACRDAAGRWTVTPAPVVFAGAALACTAIGADFTLPRTGNQNARLHAVAGPAGGAWVHYLLPP |
4NTC Chain:A ((2-326)) | MSIGKLLSNGALL--VDVLIIGAGPAGLSTATGLARQLHT------------AVVFDSGVY------RNAKTQHMHNVLGWDHRNPAELRAAGRADLTTRYSTIQFQNSTIEAIRQVE----------TNQLFEARDNEGHSWYGRKVVLATGVRDIPLDIEGYSECWANGIYHCLFCDGYEERG---------------------------QETVGVLAL-GPIAN----PARALHLARMALRLSESVTIY--------TNG------------------NEQLAKEIQQAAEESPVGASGLKFEA------RP-------------IRRFEKGDVAKTVIVHLGESESKTEGFLVYNPQTEVNGPFAKQLALNMT-------EGGDILTTPPFYETSVP-------------GVFAVGDCATPLKA----------VTPAVSMGSLAAGGLVAQLQAQAL---------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 4NTC.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -144086 for 2733 contacts (-52.7/contact) +
2D Compatibility (PS) -33129 + (NN) -2366 + (LL) 7460
1D Compatibility (HY) -6000 + (ID) 3500
Total energy: -181621.0 ( -66.45 by residue)
QMean score : 0.118
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