Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MAYQALYRVFRPQSFQDVVGQEHVTKTLKNAIVQNKTSHAYLFSGPRGTGKTSAAKIFAKAINCEHGHDGEPCNECEICKGTTDGSIPDVLEIDAASNNGVEEIRDIREKVKYAPTVAKYKVYIIDEVHMLSTGAFNALLKTLEEPPKHVIFILATTEPHKLPLTIISRVQRFDFKRITTQDIIGRLKFILEEEKIPYDEKALMIVARAAEGGMRDALSLLDQVISYGSEEVTVEDALEITGSVAQNLLTKLVSAAFDGDAAEAISTLTALLAEGKDPVRLVEDLLVFFRDVLLYQKAPNLEETMERALIDDDFVALAKRADSLKVYEFVKILNTAQQQMRFSNHPGIYVEVALVQLTQAGQSVAGGGNVPADAASGSDVSDLKRQMEQMHQEIQTLKKQIASGAGAAPADKPTQNRGGSKKAINNGKQFKAPIGKINHVLGEAKKENLQLIRGCWGELLSMLMASQAALLNDAEPVAASQDTFVLKFKHEIHCQMAMDNPNFVETITSSIARLTQVNYTFIGIPEDQWADVRENFLHSHGSDADAEDGANPEAKKPAEDPFVAEAAKLVGEDLLEIKD |
1JR3 Chain:A ((3-363)) | --YQVLARKWRPQTFADVVGQEHVLTALANGLSLGRIHHAYLFSGTRGVGKTSIARLLAKGLNCETGITATPCGVCDNCREIEQGRFVDLIEIDAASRTKVEDTRDLLDNVQYAPARGRFKVYLIDEVHMLSRHSFNALLKTLEEPPEHVKFLLATTDPQKLPVTILSRCLQFHLKALDVEQIRHQLEHILNEEHIAHEPRALQLLARAAEGSLRDALSLTDQAIASGDGQVSTQAVSAMLGTLDDDQALSLVEAMVEANGERVMALINEAAARGIEWEALLVEMLGLLHRIAMVQLSPAALGNDMAAIE-LRMRELARTIPPTDIQLYYQTLLIGRKELPYAPDRRMGVEMTLLRALAFHPRM----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 1JR3.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -191238 for 2877 contacts (-66.5/contact) +
2D Compatibility (PS) -39229 + (NN) -25173 + (LL) 13004
1D Compatibility (HY) -25200 + (ID) 7050
Total energy: -274886.0 ( -95.55 by residue)
QMean score : 0.559
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