Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MAKEKIVLAYSGGLDTSVAIQWLVES-GYEVIACCLDVGEGKNLDFIKEKAITVGASESYTIDAKEEFAEDFALIALQAHAYYEGKYPLISALSRPLIAKKLVEVARQEGASAIAHGCTGKGNDQVRFEVAIHALAPDLKVVSPVRDWKWS-REEEINYAKEHDIPVPIDLDNPFSIDQNLWGRSNECGVLENPWTTPPEAAYDLTVSLEDAPDTADIVEITFDAGIPISLNGENMSLANLILTLNEIAGKHGVGRIDHIENRLVGIKSREVYECPAAVTLITAHKELEDLTFVREVAHFKPIIEQKISETIYNGLWFSPLTEALVAFLKSTQKFVNGTIRVKLFKGHAIVEGRKSPNSLYDENLATYTSSDTFDQDAAVGFIKLWGLPTKVNAEVNSKVTITTEV |
1KH3 Chain:D ((2-395)) | ----KIVLAYSGGLDTSIILKWLKETYRAEVIAFTADIGQGEEVEEAREKALRTGASKAIALDLKEEFVRDFVFPMMRAGAVYEGYYLLGTSIARPLIAKHLVRIAEEEGAEAIAHGATGKGNDQVRFELTAYALKPDIKVIAPWREWSFQGRKEMIAYAEAHGIPVP-----PYSMDANLLHISYEGGVLEDPWAEPPKGMFRMTQDPEEAPDAPEYVEVEFFEGDPVAVNGERLSPAALLQRLNEIGGRHGVGRVDIVENRFVGMKSRGVYETPGGTILYHARRAVESLTLDREVLHQRDMLSPKYAELVYYGFWYAPEREALQAYFDHVARSVTGVARLKLYKGNVYVVGRKAPKSLYRQDLVSF----GYDQKDAEGFIKIQALRLRVRALVER-------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 1KH3.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -182823 for 3139 contacts (-58.2/contact) +
2D Compatibility (PS) -42016 + (NN) -19822 + (LL) 1500
1D Compatibility (HY) -32400 + (ID) 9500
Total energy: -285061.0 ( -90.81 by residue)
QMean score : 0.524
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