Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
| Query sequence | MIRAASDDPAGVDELVAAIAPGLAGLGLPVINRREVVLVTGPWLAGVSGVRAALAERL----------------------PQRRFVETAELGPGD----------------APVAVVFVVSAATALTESDCVLLDTAAEHTDAVVAVVSKIDVHRGWRDVLTSNRDRLAARASRYARVPWVGAAAAPELGEPYLDDLVAAIQKQLADPAVARRNMLRAWESRLLMVARRFDGDAQSAGRRARVDALRQQRRTVLRQGRQSKSEHTIALRAQIQHARVKLSYFARNRCSLLRVELQEHVAGLSRKDIARFAAYTRGRVQEVVAEVGEGAVAHLADVAQLLGVPVQPPVLENLPAVLPTVVAPPLTSRRLEIRLTTLLGAGFGLGIALTLSRLVAGLTPGLAASGMVAGVAIGLAVTAWVVNARALLHDRVVVDRWTGEVTASLRSVVEQLVATRVVAVETLLSTAISERDDAENARVADQVSIIDGELREHAVAAARAAALRDREMPAVRAALEAVRAELGEPGAPTTGLF |
| 3K53 Chain:A ((4-165)) | ---------------------------------KTV-ALVGNPNVGKTTIFNALTGLRQHVGNWPGVTVEKKEGIMEYREKEFLVVDLPGIYSLTAHSIDELIARNFILDGNADVIVDIVDSTCLMRNL-FLTLELFEMEVKNIILVLNKFDLLKKK--GAKIDIKKMRKE----LGVPVIPTNAKKG---EGVEELKRMIALMAE------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------ |
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General information:
TITO was launched using:
| RESULT:
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Template: 3K53.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -86314 for 944 contacts (-91.4/contact) +
2D Compatibility (PS) -13650 + (NN) -4507 + (LL) 30764
1D Compatibility (HY) -5600 + (ID) 850
Total energy: -80157.0 ( -84.91 by residue)
QMean score : 0.581
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