Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MTFASLGLLDPLLKALEGLGHGTPTPIQAQAIPPALKG--RDLLAAAQTGTGKTAGFALPLLQRLTLEGPQVAANSVRALVLVPTRELAEQVHASVRDYGQHLPLRTAVAYGGVSINPQMMKLRKGVD--ILVATPGRLLDLYRQNAVKFAQLQALVLDEADRMLDL-GFARELDELFAALPRKRQTLLFSATFSDAIRTLARELLRDPLSIEVSPRNTAAKSVRQ-WLVPVDKKRKAELFCHLLQANRWRQALVFAKTRKSVEELVGLLQRQGIAADSIHGDKPQPARLRALQRFKAGEVDLLVATDVAARGLDIEEMPLVVNFDLPIVAE------DYVHRIGRTGRAGASGQAVSLVC-ADEVELLAAIETLIGQTLQRREEPDFEPEHRVPQTAPGGVVLKKPKKPKKPKAAESVGKPGKIHLGSWFDSSAPTVKAVRKAPGFGAGAAGKPKKRPSGK |
3PEY Chain:A ((6-370)) | -SFDELGLAPELLKGIYAMKFQKPSKIQERALPLLLHNPPRNMIAQSQSGTGKTAAFSLTMLTRVNPEDA-----SPQAICLAPSRELARQTLEVVQEMGKFTKITSQL------IVPDSFEKNKQINAQVIVGTPGTVLDLMRRKLMQLQKIKIFVLDEADNMLDQQGLGDQCIRVKRFLPKDTQLVLFSATFADAVRQYAKKIVPNANTLELQTNEVNVDAIKQLYMDCKNEADKFDVLTELYGLMTIGSSIIFVATKKTANVLYGKLKSEGHEVSILHGDLQTQERDRLIDDFREGRSKVLITTNVLARGIDIPTVSMVVNYDLPTLANGQADPATYIHRIGRTGRFGRKGVAISFVHDKNSFNILSAIQKYFG------------------------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3PEY.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -260014 for 2990 contacts (-87.0/contact) +
2D Compatibility (PS) -38236 + (NN) -23199 + (LL) 3408
1D Compatibility (HY) -31200 + (ID) 6150
Total energy: -355391.0 ( -118.86 by residue)
QMean score : 0.518
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