Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MSSPPPARSGFYRQEVTKTAWEVRAVYRDLQPVGSGAYGAVCSAVDGRTGAKVAIKKLYRPFQSELFAKRAYRELRLLKHMRHENVIGLLDVFTPDETLDDFTDFYLVMPFMGTDLGKLMKHEKLGEDRIQFLVYQMLKGLRYIHAAGIIHRDLKPGNLAVNEDCELKILDFGLARQADSEMTGYVVTRWYRAPEVILNWMRYTQTVDIWSVGCIMAEMITGKTLFKGSDHLDQLKEIMKVTGTPPAEFVQRLQSDEAKNYMKGLPELEKKDFASILTNASPLAVNLLEKMLVLDAEQRVTAGEALAHPYFESLHDTEDEPQVQKYDDSFDDVDRTLDEWKRVTYKEVLSFKPPRQLGARVSKETPL |
3OHT Chain:B ((34-380)) | -------RPTFYRQELNKTIWEVPERYQTLSPVGSGAYGSVCSSYDVKSGLKIAVKKLSRPFQSIIHAKRTYRELRLLKHMKHENVIGLLDVFTPATSLEEFNDVYLVTHLMGADLNNIVKCQKLTDDHVQFLIYQILRGLKYIHSADIIHRDLKPSNLAVNEDCELKILDFG-----------------YRAPEIMLNWMHYNMTVDIWSVGCIMAELLTGRTLFPGTDHINQLQQIMRLTGTPPASVISRMPSHEARNYINSLPQMPKRNFADVFIGANPLAVDLLEKMLVLDTDKRITASEALAHPYFSQYHDPDDEPESEPYDQSFESRQLEIEEWKRLTYEEVCSFETP------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3OHT.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -164187 for 2427 contacts (-67.7/contact) +
2D Compatibility (PS) -35567 + (NN) -21361 + (LL) 2320
1D Compatibility (HY) -43600 + (ID) 10450
Total energy: -272845.0 ( -112.42 by residue)
QMean score : 0.472
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