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 |
| 2CN5 Chain:A ((15-302)) | --------RDEYIMSKTLGSGACGEVKLAFERKTCKKVAIKIISKR------------NVETEIEILKKLNHPCIIKIKNFFDAED--YYIVLELMEGGELFDKVVGNKRLKEATCKLYFYQMLLAVQYLHENGIIHRDLKPENVLLSSQEEDCLIKITDFGHSKIL-----GETSLMRTLCGTPTYLAPEVLVSVGTAGYNRAVDCWSLGVILFICLSGYPPFSEHRTQVSLKDQITSGKYNFIPEVWAEVSEKALDLVKKLLVVDPKARFTTEEALRHPWLQDEDMKRKFQDLLSEENE------------------------------------------------------------------------------ |
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General information:
TITO was launched using:
| RESULT:
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Template: 2CN5.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -151898 for 1915 contacts (-79.3/contact) +
2D Compatibility (PS) -27606 + (NN) -8381 + (LL) 4000
1D Compatibility (HY) -20000 + (ID) 4850
Total energy: -208735.0 ( -109.00 by residue)
QMean score : 0.379
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