Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MQPKFNLPRHCVMSKVVLEAKDIYKHFDDGKSKVEVIKGLSLQVEAGQFVSIVGASGSGKSTLLHVLGGLDQPTKGQVFLNGQRFDNLGEAERGFQRNQYLGFVYQFHHLLPEFTALENVAMPLMLRADNQYKSVK-AQAEYLLDRVGLSHRMDHKPG--ELSGGERQRVALARALVTKPAVVLADEPTGNLDRKTAVGIFELLTDLKKELNMAMLIVTHDEQLAQAADSILHMEDGLWVNGS 5L22 Chain:B ((345-543)) --------------------------------KTPVLRNINMRILPGEFVAIIGPSGSGKSSLVRTILGIWLPVHGTVEIDGA---DLKQWDRDY-FGKFVGYLPQDIELF-EGTVAENIARFGELDSEKIIEAAKLSGAHDVIIKLPDGYDTYIGPGGITLSGGQRQRIALARALYGNPRIVILDEPDSNLDEQGEQALYNALIELKKR-KVTTIIVSHRIRLLNLVDKIAIMQDG------

General information: TITO was launched using: RESULT: Template: 5L22.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 939 -22696 -24.17 -115.79 target 2D structure prediction score : 0.58 Monomeric hydrophicity matching model chain B : 0.75 3D Compatibility (PKB) : -24.17 2D Compatibility (Sec. Struct. Predict.) : 0.58 1D Compatibility (Hydrophobicity) : 0.75 QMean score : 0.405

(partial model without unconserved sides chains): PDB file : Tito_5L22.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5L22-query.scw PDB file : Tito_Scwrl_5L22.pdb: