Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MDDAAVLKRRGYLLGINLGEGSYAKVKSAYSERLKFNVAIKIIDRKKAPADFLEKFLP-----REIEILAMLNHCSIIKTYEIFETSHGKVYIVMELAVQGDLLELIKTRGALHEDEARKKFHQLSLAIKYCHDLDVVHRDLKCDNLLL---DKDFNIKLSDFSFSKRCLRDDSGRMALSKTFCGSPAYAAPEVL--QGIPYQPKVYDIWSLGVILYIMVCGSMPYDDSNIKKMLRIQ-KEHRVNF-PRS-KHLTGECKDLIYHMLQPDVNRRLHIDEILSHCWMQPK-ARGSPSVAINKEGESSRGTEPLWTPEPGSDKKSATKLEPEGEAQPQAQPETKPEGTAMQMSRQSEILGFPSKPSTMETEEGPPQQPPETRAQ |
2WTI Chain:A ((15-310)) | --------RDEYIMSKTLGS----EVKLAFERKTCKKVAIKIISK------------PALNVETEIEILKKLNHPCIIKIKNFFDAED--YYIVLELMEGGELFDKVVGNKRLKEATCKLYFYQMLLAVQYLHENGIIHRDLKPENVLLSSQEEDCLIKITDFGHSKIL------ETSLMRTLCGTPTYLAPEVLVSVGTAGYNRAVDCWSLGVILFICLSGYPPFSEHRTQVSLKDQITSGKYNFIPEVWAEVSEKALDLVKKLLVVDPKARFTTEEALRHPWLQDEDMKRKFQDLLSEENEST--ALPQVL-------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 2WTI.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -145442 for 1871 contacts (-77.7/contact) +
2D Compatibility (PS) -28297 + (NN) -11458 + (LL) 3724
1D Compatibility (HY) -19600 + (ID) 4900
Total energy: -205973.0 ( -110.09 by residue)
QMean score : 0.409
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