Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
| Query sequence | MDDATVLRKKGYIVGINLGKGSYAKVKSAYSERLKFNVAVKIIDRKKTPTDFVERFLP-----REMDILATVNHGSIIKTYEIFETSDGRIYIIMELGVQGDLLEFIKCQGALHEDVARKMFRQLSSAVKYCHDLDIVHRDLKCENLLL---DKDFNIKLSDFGFSKRCLRDSNGRIILSKTFCGSAAYAAPEVLQSIPYQP--KVYDIWSLGVILYIMVCGSMPYDDSDIRKMLRIQ-KEHRVDF-PRS-KNLTCECKDLIYRMLQPDVSQRLHIDEILSHSWLQPPKPKATSSASFKREGEGKYRAECKLDTKTGLRPDHRPDHKLGAKTQHRLLVVPENENRMEDRLAETSRAKDHHISGAEVGKAST |
| 2WTD Chain:A ((18-285)) | -----------YIMSKTLGS----EVKLAFERKTCKKVAIKIISK------------PALNVETEIEILKKLNHPCIIKIKNFFDAED--YYIVLELMEGGELFDKVVGNKRLKEATCKLYFYQMLLAVQYLHENGIIHRDLKPENVLLSSQEEDCLIKITDFGHSKIL-------TSLMRTLCGTPTYLAPEVLVSVGTAGYNRAVDCWSLGVILFICLSGYPPFSEHRTQVSLKDQITSGKYNFIPEVWAEVSEKALDLVKKLLVVDPKARFTTEEALRHPWLQ------------------------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 2WTD.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -168200 for 1689 contacts (-99.6/contact) +
2D Compatibility (PS) -25263 + (NN) -12603 + (LL) 5332
1D Compatibility (HY) -20000 + (ID) 4600
Total energy: -225334.0 ( -133.41 by residue)
QMean score : 0.405
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