Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MRAFLNRSFAPLLNPNENLLDQVKSSIILKKGVSYFDWGASGLASALVEKRVKSLLPYYANAHSVASKHAILMGMLLKECQEKLKRSLNLSANHCVLSAGYGASSAIKKFQEILGVC--IPSKTKKNLEPYLKDMALKR-VIVGPYEHHSN-EVSWREGLCEVVRIPLNEHG-LLDLEILEQTLKKTPNSLVSVSAASNVTGILTPLKEVSSLCKEY--RAILALDLANFSAHANPKDC--EYQTGFYAPHKLLGGVGGCGLLGISKDLIDTQIPPSFSAGGVIKYANRT-RHEF-I--DELPLREEFGTPGLLQFYRSALAYQLRDECGLDFIHKKENNLLRVLVYGLKDLPAINIYG----NLTASRVGVVAFNIGGISPYDLARVLSYEYAIETRAGCSCAGPYGHDLLNLNAQKSSDFNAKPGWLRVSLHFTHSI-ND---IDYLLDSLKKAVKKLR |
2BKW Chain:A ((9-383)) | ----------------------------------------LIPGPIILSGAVQKALDVPSLGHT-SPEFVSIFQRVLKNTRAVFKSAAASK-SQPFVLAGS-GTLGWDIFASNFILSKAPN----------------KNVLVVSTGTFSDRFADCLRSYGAQVDVVRPLKIGESVPLELITEKLSQNSYGAVTVTHVDTSTAVLSDLKAISQAIKQTSPETFFVVDAVCSIGCEEFEFDEWGVDFALTASQKAIGAPAGLSISLCSSRFMDYAL-NDSKNGHVHGYFSSLRRWTPIMENYEAGKGAYFATPPVQLINSLDVALKEILEEGLHKRWDLHREMSDWFKDSLVN--GLQLTSVSRYPSNMSAHGLTAVYVA--DPPDVIAFLKS-HGVVIAGGIHKDI-------------------GPKYIRIGHMGVTACNKNLPYMKNCFDLIKLALQRK- |
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General information:
TITO was launched using:
| RESULT:
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Template: 2BKW.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -190783 for 3142 contacts (-60.7/contact) +
2D Compatibility (PS) -38899 + (NN) -18367 + (LL) 4480
1D Compatibility (HY) -8800 + (ID) 2850
Total energy: -255219.0 ( -81.23 by residue)
QMean score : 0.390
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