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 |
| 4BDD Chain:A ((18-285)) | -----------YIMSKTL------EVKLAFERKTCKKVAIKIISK-------------NVETEIEILKKLNHPCIIKIKNFFDAED--YYIVLELMEGGELFDKVVGNKRLKEATCKLYFYQMLLAVQYLHENGIIHRDLKPENVLLSSQEEDCLIKITDFGHSKIL-------TSLMRTLCGTPTYLAPEVLVSVGTAGYNRAVDCWSLGVILFICLSGYPPFSEHRTQVSLKDQITSGKYNFIPEVWAEVSEKALDLVKKLLVVDPKARFTTEEALRHPWLQ------------------------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 4BDD.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -169512 for 1642 contacts (-103.2/contact) +
2D Compatibility (PS) -24956 + (NN) -11275 + (LL) 5084
1D Compatibility (HY) -20000 + (ID) 4500
Total energy: -225159.0 ( -137.12 by residue)
QMean score : 0.406
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