Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MSGDKLLSELGYKLGRTIGEGSYSKVKVATSKKYKGTVAIKVVDRRRAPPDFVNKFLP-----RELSILRGVRHPHIVHVFEFIEVCNGKLYIVME-AAATDLLQAVQRNGRIPGVQARDLFAQIAGAVRYLHDHHLVHRDLKCENVLLSPDERR--VKLTDFGFGRQAHGYPDLSTTYCGSAAYASPEVLLGI---PYDPKKYDVWSMGVVLYVMVTGCMPFDDSDIAGLPRRQKRGVLY---PE-GLELSERCKALIAELLQFSPSARPSAGQVARNCWLRAGDSG |
2WTJ Chain:A ((18-288)) | -----------YIMSKTLGS----EVKLAFERKTCKKVAIKIISK------------PALNVETEIEILKKLNHPCIIKIKNFFDAED--YYIVLELMEGGELFDKVVGNKRLKEATCKLYFYQMLLAVQYLHENGIIHRDLKPENVLLSSQEEDCLIKITDFGHSK-IL-ETSLMRTLCGTPTYLAPEVLVSVGTAGYN-RAVDCWSLGVILFICLSGYPPFSEHRTQVSLKDQITSGKYNFIPEVWAEVSEKALDLVKKLLVVDPKARFTTEEALRHPWLQDEDMK |
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General information:
TITO was launched using:
| RESULT:
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Template: 2WTJ.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -152021 for 1705 contacts (-89.2/contact) +
2D Compatibility (PS) -25870 + (NN) -11167 + (LL) 596
1D Compatibility (HY) -22400 + (ID) 4350
Total energy: -215212.0 ( -126.22 by residue)
QMean score : 0.408
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