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 |
4BDJ Chain:A ((15-311)) | --------RDEYIMSKTLG-----EVKLAFERKTCKKVAIKIISK-------------NVETEIEILKKLNHPCIIKIKNFFDAED--YYIVLELMEGGELFDKVVGNKRLKEATCKLYFYQMLLAVQYLHENGIIHRDLKPENVLLSSQEEDCLIKITDFGHSKIL------ETSLMRTLCGTPTYLAPEVLVSVGTAGYNRAVDCWSLGVILFICLSGYPPFSEHRTQVSLKDQITSGKYNFIPEVWAEVSEKALDLVKKLLVVDPKARFTTEEALRHPWLQDEDMKRKFQDLLSEENEST--ALPQVLA------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 4BDJ.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -155950 for 1862 contacts (-83.8/contact) +
2D Compatibility (PS) -28025 + (NN) -9624 + (LL) 3828
1D Compatibility (HY) -19600 + (ID) 4850
Total energy: -214221.0 ( -115.05 by residue)
QMean score : 0.431
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