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 |
| 2YCR Chain:A ((12-279)) | -----------YIMSKTLGS---GEVKLAFERKTCKKVAIKIISK-------------NVETEIEILKKLNHPCIIKIKNFFDAED--YYIVLELMEGGELFDKVVGNKRLKEATCKLYFYQMLLAVQYLHENGIIHRDLKPENVLLSSQEEDCLIKITDFGHSKIL-----GETSLMRTLCGTPTYLAPEVLVSVGTAGYNRAVDCWSLGVILFICLSGYPPFSEHRTQVSLKDQITSGKYNFIPEVWAEVSEKALDLVKKLLVVDPKARFTTEEALRHPWLQ------------------------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 2YCR.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -156242 for 1710 contacts (-91.4/contact) +
2D Compatibility (PS) -25259 + (NN) -9666 + (LL) 5120
1D Compatibility (HY) -20000 + (ID) 4600
Total energy: -210647.0 ( -123.19 by residue)
QMean score : 0.396
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