Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MSLTRVSVTAVRNLHPVTLSP--SPRINILYGDNGSGKTSVLEAIHLL------GLARSFRSARLQPVIQYEEAACTVFGQVMLANGIAS------NLGISRERQGEFT-----------IRIDGQNARSAAQLAETLPLQLINP----DSFRLLEGAPKIRRQFLDWGVFHVEPRFLPVWQRLQKALRQRNSWLRHGKLDPASQAAWDRELSLASDEIDAYRRSYIQALK--PVFEETLAELVSLDDLTLSYYRGWDKDRDLLEVLASSL------LRDQQMGHTQAGPQRADLRIRLAGHNAAEILSR----GQQKLVVCALRIA------QGHLINRAKRGQC------------------VYLVDDLPSELDEQHRMALCRLLEDL--GCQVFITCVDPQLLKDGWRTDTPVSMFHVEH-GKVSQTTTIGSEA------ |
4UX3 Chain:A ((3-527)) | -YIKRVIIKGFKTYRNETIIDNFSPHQNVIIGSNGSGKSNFFAAIRFVLSDDYSNLKREERQGLIHQGSGGSVMSASVEIVIRRTVGLKKDDYQLNDRNVTKGDIVRMLETAGFSMNNPYNIVPQGKIVALTNAKDKERLQLLEDVVGAKSFEVKLKASLKKMEETEQKKIQINKEMGELNSKLSEMEQERKELEKYNELERNRKIYQFTLYDRELNEVINQMETSDQLLQRLNDMNTEISGLKNVNKRAFENFKKFNERRKDLAERASELDESKDSIQDLIVKLKQQKVNAVDSTFQKVSENFEAVFERLVPRGTAKLIIHSISVSFNSKQNEQLHVEQLSGGQKTVCAIALILAIQMVDPASFYLFDEIDAALDKQYRTAVATLLKELSKNAQFICTTFRTDML------QVADKFFRVKYENKISTVIEVNREEAIGFIR |
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General information:
TITO was launched using:
| RESULT:
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Template: 4UX3.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -83201 for 2228 contacts (-37.3/contact) +
2D Compatibility (PS) -38435 + (NN) -2986 + (LL) 332
1D Compatibility (HY) -12800 + (ID) 3300
Total energy: -140390.0 ( -63.01 by residue)
QMean score : 0.217
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