Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
| Query sequence | MTESNIPSFWAEKWQEHGYETPTEIQSAMYQPIKDGADVLAVSPTGTGKTVAYALPTLEKIE-AIPKTQWLVLAPSHELVMQITEVIRSWLPSDDLTVISLIGGANVKRQIEKLKKKPQIIVASPGRALELIKQKKIKMHEIKTITLDECDQLLRQENFKSTLEIVESAVR-DRQLTLVSATKLENPDMFFAQTENTPVMLEVTAKPEELT--NVEHLYMDVESRDKATLLRRI-SHIKDMRGLVFVKDKPRMEILLEKLHYDKVKAAGIHGEIRKEKRKKYLDDFKKGTLTYLIVTDVAARGLDIEDLPYVIHYDLAASEKEYTHRSGRTGRMGKSGTVITFANPREIRTLKQYLTIHNLKGKQVRFYQGKLLDGAVPENKIAKKASRPPKQVQKSKKDDGKKPFRKDKPTGAAGGRKEKPTNSAKPTRNKPNKFNKKPNNFKKS |
| 1S2M Chain:A ((63-388)) | ---------------EAGFEKPSPIQEEAIPVAITGRDILARAKNGTGKTAAFVIPTLEKVKPKLNKIQALIMVPTRELALQTSQVVRTLGKHCGISCMVTTGGTNLRDDILRLNETVHILVGTPGRVLDLASRKVADLSDCSLFIMDEADKMLSRD-FKTIIEQILSFLPPTHQSLLFSATFPLTVKEFMVKHLHKPYEINLM---EELTLKGITQYYAFVEERQKLHCLNTLFSKLQINQAIIFCNSTNRVELLAKKITDLGYSCYYSHARMKQQERNKVFHEFRQGKVRTLVCSDLLTRGIDIQAVNVVINFDFPKTAETYLHRIGRSGRFGHLGLAINLIN----------------------------------------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 1S2M.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -169152 for 2612 contacts (-64.8/contact) +
2D Compatibility (PS) -34687 + (NN) -16216 + (LL) 4592
1D Compatibility (HY) -24000 + (ID) 4950
Total energy: -244413.0 ( -93.57 by residue)
QMean score : 0.513
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