Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MLFSPYTLGHLTLPNRIVMPPMTRSRAASGEVATALMAEYYSQRAGAGLIVSEGTQISRQGQGYAWTPGIHSAEQVAGWRQVTDAVHAAGGRIFAQLWHVGRVSHTSLQPGNAAPVSSSALVAEGVKVFVDPQGRGAQAGGGEMVQHSAPRALAVEEIREIVADYAQAARNALDAGFDGVELHGANGYLINQFIDSQANARNDQYGGSLENRLRFLREVAEAVTAVVGRERIGVRLAPLTTLQGAVDDTPQATYLAAARLLDEIGVAYIHIAEADWEDAPAMPAAFKEALRIVYRGSLIYSGMYTKARAEEALARGWADLVGFGRPFIANPDLPYRLEHDLALADGDRSTYFGGGAAGYTDYPSLPQAAG |
3GKA Chain:A ((12-358)) | -LFDPLTIGDLTLANRIIMAPLTRARAGDTRTPNALMARYYAERASAGLIISEATSVTPQGVGYASTPGIWSPEQVDGWRLVTDAVHAAGGRIFLQLWHVGRVSDPVFLDG-ALPVAPSAIAPGGHVSLVRPQ-----------RPYVTPRALELDEIPGVVAAFRRGAENARAAGFDGVEVHGANGYLLDQFLQDSANRRTDAYGGSIENRARLLLEVVDAAIDVWSAARVGVHLAPRGDAHTMGDSDPAATFGHVARELGRRRIAFLFARESFGGD------AIGQQLKAAFGGPFIVNENFTLDSAQAALDAGQADAVAWGKLFIANPDLPRRFKLNAPLNEPNAATFYAQGEVGYTDYPALE---- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3GKA.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -169865 for 3182 contacts (-53.4/contact) +
2D Compatibility (PS) -37775 + (NN) -18891 + (LL) 684
1D Compatibility (HY) -24000 + (ID) 8600
Total energy: -258447.0 ( -81.22 by residue)
QMean score : 0.500
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