Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MATPPYPEDEHSRQAYVDQLGLLEEGADEVFEEILAAATSYFQTPIALISILDHQRQWFRASIGLDIRQTPRRDSFCAYAILGKGVFEVADATLDPRFRDNPYVQGEPRIRFYAGAPLATAEGLNLGSLCVIDREPRGPLAERDVAMLEHFARLVMARIHTLRSTNYIDEPTGLYNRLRLQEDVSLRLQRDGALTVIAADLLPLALLNTIIRTLGYPFSNDLMLEARDRIRAELPDFTLYKISPTRFGLLLPRQQQEETESVCLRLLRAFESPVVCRGIPIKANVGLGVLPLADDTLDGDQDWLRLVVSAADDARDRGVGWARYNPPLDQAQQRAFTLLTSLSQAIGTEEGFHLVYQPKIDLPTGRCTGVEALLRWRHPQLGFVSPAEFVPLAEKTALMRPLSDWVLRHAMAQLAQWNARNIPLRLAINVSASDMEDSS---FLEEAVRLAKTYDIDLSALELEFTESVLIRDASAVGSVLLRARELGMGIAVDDFGTGYSNWTYLRDLPITAIKLDQSFTRDLAGSPKAQSVTQAVIGLASQLGYRVVAEGIETHDTFHLLQAWGCHEGQGYLIAQPMLPEQLEDWLRR |
4Q6J Chain:A ((18-246)) | -------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------NSYLLYYQPKVDAKTNKIIGFEGLVRLKTAT-TILAPIDFFDDIVLLNATREMQDFVAETAIKQINQLGGR---FSISINIPAHYVASSTYMTFLHDYVKEHLKYP---ECLEIEIIER---TELAIADKNLRKIKDLGVKVSMDDFGKGYSSLAYLRSLPIDIVKTDMSFIALLKTDRKQQIIIRAIVNLCHDLGGKVVTEGVEDMEQVEKLREMKVDYFQGYYFSRPLPMEEIK----- |
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General information:
TITO was launched using:
| RESULT:
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Template: 4Q6J.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -127457 for 1739 contacts (-73.3/contact) +
2D Compatibility (PS) -23973 + (NN) -13069 + (LL) 26164
1D Compatibility (HY) -20400 + (ID) 3500
Total energy: -162235.0 ( -93.29 by residue)
QMean score : 0.518
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