Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
| Query sequence | MDDATVLRKKGYIVGINLGKGSYAKVKSAYSERLKFNVAVKIIDRKKTPTDFVERFLP----REMDILATVNHGSIIKTYEIFETSDGRIYIIMELGVQGDLLEFIKCQGALHEDVARKMFRQLSSAVKYCHDLDIVHRDLKCENLLL---DKDFNIKLSDFGFSKRCLRDSNGRIILSKTFCGSAAYAAPEVLQSIPYQ--PKVYDIWSLGVILYIMVCGSMPYDDSDIRKMLRIQ-KEHRVDF-PRS-KNLTCECKDLIYRMLQPDVSQRLHIDEILSHSWLQPPKPKATSSASFKREGEGKYRAECKLDTKTGLRPDHRPDHKLGAKTQHRLLVVPENENRMEDRLAETSRAKDHHISGAEVGKAST |
| 2YIR Chain:A ((12-279)) | -----------YIMSKTLGSGACGEVKLAFERKTCKKVAIKIISK-------------LNVETEIEILKKLNHPCIIKIKNFFDAED--YYIVLELMEGGELFDKVVGNKRLKEATCKLYFYQMLLAVQYLHENGIIHRDLKPENVLLSSQEEDCLIKITDFGHSKIL-----GETSLMRTLCGTPTYLAPEVLVSVGTAGYNRAVDCWSLGVILFICLSGYPPFSEHRTQVSLKDQITSGKYNFIPEVWAEVSEKALDLVKKLLVVDPKARFTTEEALRHPWLQ------------------------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 2YIR.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -160648 for 1734 contacts (-92.6/contact) +
2D Compatibility (PS) -25699 + (NN) -12170 + (LL) 5228
1D Compatibility (HY) -20400 + (ID) 4650
Total energy: -218339.0 ( -125.92 by residue)
QMean score : 0.420
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