Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MVLDKEIKAQLAQYLDLLESDIVLQADLGDNDNSQKVKDFLDEIVAMSDRISLESTHLKRQPSFGIAKKGHESRVIFSGLPMGHEFTSFILALLQVSGRAPKVDEDIIKRIKGIEKTINLETYVSLTCHNCPDVVQAFNIMAVLNPNITHTMIEGGMYQDEVKSKGIMSVPTVYKDQEEFTSGRATIEQLLEQLDGPLDAEAFADKGVYDVLVIGGGPAGNSAAIYAARKGLKTGILAETFGGQVIETVGIENMIGTLYTEGPKLMAQIEEHTKSYDIDIIKSQLATGIEKKELVEVTLANGAILQAKTAILALGAKWRNINVPGEEEFRNKGVTYCPHCDGPLFEGKDVAVIGGGNSGMEAALDLAGVTKHVTVLEFLPELKADQ-VLQERAAKTDNLTILKNVATKDIVGEDHVTGLNYTDRDTNEEKHIDLEGVFVQIGLVPSTSWLKDSGIELNERQEIVVDKFGSTNIPGIFAAGDCTDA--AYKQIIISMGSGATAAIGAFDYLIRQ |
3F8D Chain:A ((10-318)) | ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------VKPGEKFDVIIVGLGPAAYGAALYSARYMLKTLVIGETPGGQLTEAGIVDDYLGLIEIQASDMIKVFNKHIEKYEVPVLLD-IVEKIENR-EFVVKTKRKGEFKADSVILGIGVKRRKLGVPGEQEFAGRGISYCSVADAPLFKNRVVAVIGGGDSALEGAEILSSYSTKVYLIHRRDTFKAQPIYVETVKKK-PNVEFVLNSVVKEIKGDKVVKQVVVENLKTGEIKELNVNGVFIEIGFDPPTDFAKSNGIETDTNGYIKVDEWMRTSVPGVFAAGDCTSAWLGFRQVITAVAQGAVAATSAYRYVTEK |
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General information:
TITO was launched using:
| RESULT:
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Template: 3F8D.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -179490 for 2698 contacts (-66.5/contact) +
2D Compatibility (PS) -31989 + (NN) -3212 + (LL) 14724
1D Compatibility (HY) -23600 + (ID) 5100
Total energy: -228667.0 ( -84.75 by residue)
QMean score : 0.493
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