Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MQIRADFDSGNIQVIDASDPRRIRLAIRPDLASQHFQWFHFKVEGMAPATEHCFTLVNAGQSAYSHAWSGYQAVASYDGERWFRVPSQYDADGLHFQLEPEESEVRFAYFEPYSRERHARLVERALGIEGVERLAVGTSVQGRDIELLRVRRHPDSHLKLWVIAQQHPGEHMAEWFMEGLIERLQRPDDTEMQRLLEKADLYLVPNMNPDGAFHGNLRTNAAGQDLNRAWLEPSAERSPEVWFVQQEMKRHGVDLFLDIHGDEEIPHVFAAGCEGNPGYTPRLERLEQRFREELMARGEFQIRHGYPRSAPGQANLALACNFVGQTYDCLAFTIEMPFKDHDDNPEPGTGWSGARSKRLGQDVLSTLAVLVDELR |
4A39 Chain:B ((14-388)) | MQIRADFDSGNIQVIDASDPRRIRLAIRPDLASQHFQWFHFKVEGMAPATEHCFTLVNAGQSAYSHAWSGYQAVASYDGERWFRVPSQYDADGLHFQLEPEESEVRFAYFEPYSRERHARLVERALGIEGVERLAVGTSVQGRDIELLRVRRHPDSHLKLWVIAQQHPGEHMAEWFMEGLIERLQRPDDTEMQRLLEKADLYLVPNMNPDGAFHGNLRTNAAGQDLNRAWLEPSAERSPEVWFVQQEMKRHGVDLFLDIHGDEEIPHVFAAGCEGNPGYTPRLERLEQRFREELMARGEFQIRHGYPRSAPGQANLALACNFVGQTYDCLAFTIEMPFKDHDDNPEPGTGWSGARSKRLGQDVLSTLAVLVDELR |
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General information:
TITO was launched using:
| RESULT:
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Template: 4A39.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -174884 for 3390 contacts (-51.6/contact) +
2D Compatibility (PS) -40856 + (NN) -24825 + (LL) 0
1D Compatibility (HY) -47200 + (ID) 18750
Total energy: -306515.0 ( -90.42 by residue)
QMean score : 0.585
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