Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MNQSETKALEALQNGSDIRGIAIATEKYQITLTDERVEKIAYGFAKWLKEEKKVEGQAKVAIGHDSRLSAERLKAALVKGLTFAGIDVVDVGLATTPAMFMATQYEDYDCDAGIMITASHLPFMYNGLKLFTKSGGAEHEDIDYIVAHADKSFIENGLNLGKVTKQDLLSTYAADLTDKIRAGITDAADKMKPLQGSHIIVDAGNGAGGFFAEKVLAELGADISESQFLDPDGNFPNHIPNPDNEEAMASLKKAVLASGADLGVIFDTDVDRAAIMDKNGESLNRNPLIAVISSIILEEKPGTTIVTDSTTSGHLQAFIEAKGGKQHRFKRGYRNVINEALRLNANGTPSEIAIEVSGHAALKENYF-LDDGAYLIAKILMTYATLRKNGQDLPDLIADLKEPAESEEIRLSITANDFKAYGKEALADFLTFVEADPDMELEPVNQEGIRVNTKGALGEGWFLLRMSLHEPVMPMNLESDEAGGIRKVKDRLAGFFATKADLKM |
3BKQ Chain:X ((18-445)) | ----------------DIRGV----------VGDTLTAETAYWIGRAIGSESLARGEPCVAVGRDGRLSGPELVKQLIQGLVDCGCQVSDVGMVPTPVLYYAANV--LEGKSGVMLTGSHNPPDYNGFKIVVAGETLANEQIQALRERIEKNDLASGV--GSVEQVDILPRYFKQIRDDIAMA--------KPMK---VVVDCGNGVAGVIAPQLIEALGCSVI-PLYCEVDGNFPNHHPDPGKPENLKDLIAKVKAENADLGLAFDGDGDRVGVVTNTGTIIYPDRLLMLFAKDVVSRNPGADIIFDVKCTRRLIALISGYGGRPVMWKTGH-SLIKKKMK----ETGALLAGEMSGHVFFKERWFGFDDGIYSAARLL---EILSQDQRDSEHVFSAFGSDISTPEINITVT-EDSKFAIIEALQRDAQWGEGN------ITTLDGVRVDYP----KGWGLVRASNTTPVLVLRFEADTEEELERIK--------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3BKQ.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -132478 for 3913 contacts (-33.9/contact) +
2D Compatibility (PS) -46174 + (NN) -26693 + (LL) 5260
1D Compatibility (HY) -29200 + (ID) 6750
Total energy: -236035.0 ( -60.32 by residue)
QMean score : 0.556
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