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 |
2WTC Chain:A ((15-310)) | --------RDEYIMSKTLGS----EVKLAFERKTCKKVAIKIISK------------PALNVETEIEILKKLNHPCIIKIKNFFDAED--YYIVLELMEGGELFDKVVGNKRLKEATCKLYFYQMLLAVQYLHENGIIHRDLKPENVLLSSQEEDCLIKITDFGHSKIL-------TSLMRTLCGTPTYLAPEVLVSVGTAGYNRAVDCWSLGVILFICLSGYPPFSEHRTQVSLKDQITSGKYNFIPEVWAEVSEKALDLVKKLLVVDPKARFTTEEALRHPWLQDEDMKRKFQDLLSEENEST--ALPQVL-------------------------------------------------------------------- |
|
General information:
TITO was launched using:
| RESULT:
|
Template: 2WTC.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
|
3D Compatibility (PKB) -142268 for 1868 contacts (-76.2/contact) +
2D Compatibility (PS) -27877 + (NN) -9315 + (LL) 3824
1D Compatibility (HY) -19600 + (ID) 4900
Total energy: -200136.0 ( -107.14 by residue)
QMean score : 0.363
|
|
|