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 |
4BDD Chain:A ((15-310)) | --------RDEYIMSKTL------EVKLAFERKTCKKVAIKIISK-------------NVETEIEILKKLNHPCIIKIKNFFDAED--YYIVLELMEGGELFDKVVGNKRLKEATCKLYFYQMLLAVQYLHENGIIHRDLKPENVLLSSQEEDCLIKITDFGHSKIL-------TSLMRTLCGTPTYLAPEVLVSVGTAGYNRAVDCWSLGVILFICLSGYPPFSEHRTQVSLKDQITSGKYNFIPEVWAEVSEKALDLVKKLLVVDPKARFTTEEALRHPWLQDEDMKRKFQDLLSEENEST--ALPQVL-------------------------------------------------------------------- |
|
General information:
TITO was launched using:
| RESULT:
|
Template: 4BDD.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
|
3D Compatibility (PKB) -147920 for 1822 contacts (-81.2/contact) +
2D Compatibility (PS) -27747 + (NN) -9239 + (LL) 3616
1D Compatibility (HY) -19600 + (ID) 4800
Total energy: -205690.0 ( -112.89 by residue)
QMean score : 0.404
|
|
|