Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MSSPPPARSGFYRQEVTKTAWEVRAVYRDLQPVGSGAYGAVCSAVDGRTGAKVAIKKLYRPFQSELFAKRAYRELRLLKHMRHENVIGLLDVFTPDETLDDFTDFYLVMPFMGTDLGKLMKHEKLGEDRIQFLVYQMLKGLRYIHAAGIIHRDLKPGNLAVNEDCELKILDFGLARQADSEMTGYVVTRWYRAPEVILNWMRYTQTVDIWSVGCIMAEMITGKTLFKGSDHLDQLKEIMKVTGTPPAEFVQRLQSDEAKNYMKGLPELEKKDFASILTNASPLAVNLLEKMLVLDAEQRVTAGEALAHPYFESLHDTEDEPQVQKYDDSFDDVDRTLDEWKRVTYKEVLSFKPPRQLGARVSKETPL |
3OHT Chain:A ((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) -165146 for 2428 contacts (-68.0/contact) +
2D Compatibility (PS) -36039 + (NN) -23509 + (LL) 2320
1D Compatibility (HY) -43600 + (ID) 10450
Total energy: -276424.0 ( -113.85 by residue)
QMean score : 0.475
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