Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MAYQALYRVFRPQSFQDVVGQEHVTKTLKNAIVQNKTSHAYLFSGPRGTGKTSAAKIFAKAINCEHGHDGEPCNECEICKGTTDGSIPDVLEIDAASNNGVEEIRDIREKVKYAPTVAKYKVYIIDEVHMLSTGAFNALLKTLEEPPKHVIFILATTEPHKLPLTIISRVQRFDFKRITTQDIIGRLKFILEEEKIPYDEKALMIVARAAEGGMRDALSLLDQVISYGSEEVTVEDALEITGSVAQNLLTKLVSAAFDGDAAEAISTLTALLAEGKDPVRLVEDLLVFFRDVLLYQKAPNLEETMERALIDDDFVALAKRADSLKVYEFVKILNTAQQQMRFSNHPGIYVEVALVQLTQAGQSVAGGGNVPADAASGSDVSDLKRQMEQMHQEIQTLKKQIASGAGAAPADKPTQNRGGSKKAINNGKQFKAPIGKINHVLGEAKKENLQLIRGCWGELLSMLMASQAALLNDAEPVAASQDTFVLKFKHEIHCQMAMDNPNFVETITSSIARLTQVNYTFIGIPEDQWADVRENFLHSHGSDADAEDGANPEAKKPAEDPFVAEAAKLVGEDLLEIKD |
1JR3 Chain:A ((3-368)) | --YQVLARKWRPQTFADVVGQEHVLTALANGLSLGRIHHAYLFSGTRGVGKTSIARLLAKGLNCETGITATPCGVCDNCREIEQGRFVDLIEIDAASRTKVEDTRDLLDNVQYAPARGRFKVYLIDEVHMLSRHSFNALLKTLEEPPEHVKFLLATTDPQKLPVTILSRCLQFHLKALDVEQIRHQLEHILNEEHIAHEPRALQLLARAAEGSLRDALSLTDQAIASGDGQVSTQAVSAMLGTLDDDQALSLVEAMVEANGERVMALINEAAARGIEWEALLVEMLGLLHRIAMVQLSPA-ALGNDMAAIELRMRELARTIPPTDIQLYYQTLLIGRKELPYAPDRRMGVEMTLLRALAFHPRMPLPEP------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------ |
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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) -186175 for 2903 contacts (-64.1/contact) +
2D Compatibility (PS) -39899 + (NN) -26195 + (LL) 13708
1D Compatibility (HY) -25600 + (ID) 7100
Total energy: -271261.0 ( -93.44 by residue)
QMean score : 0.567
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