Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MREKLKGGNIMKKWLLLLI---------GMGILFTGCTSENTRTKATIETDTTIETKKSKTQSTEQTTTEMKQSVETSASSITESSSEEVKNTLWDTNKASKLETFVTQWGKTLGQEYK----SYNLQNNVSLYGTPLPQAVINGDWKMAINEAP-VTVQWSED-GTGHADFNLVAVYSDVETGEYLGQHVYFFGFQNGQPKVYLTQQNQGNENNYLYFNETQNQQLKQGFSDIVNGQTPQTPVVEESTQQATTTTTQSTSSSGISSWEAAKESVLNNKALWLYDSPDKNVSNTNLISTNEYMKDLMQDENGSYYSINIVTDDDGNTTMAGGKQFRVYTDGRISQRIGMTNNFQMIK 5HAF Chain:A ((13-338)) GLEVLFQGPVSDEALTLLFSAVENGDQNCIDLLCNLALRNDDLGHRVEKFLFDLFSGKRTG------SSDIDKKINQACLVLHQIANNDITKDNTEWKKLHAPSRLLYMAGSATTDLSKKIGIAHKIMENLWCGARMLSSDELAAATQGLVQESPLLSVNYPIGLIHPTTKENILSTQLLEKIAQSGLSHNEVFLVNTGDHWLLCLFYKLAEKIKCLIFN--TYYDLNENTKQEIIEAAKIAGISESDEVNFIEMNLQNNVPNGCGLFCYHTIQLLSNAG-----------QNDPATTLREFAENFLTLS----------VEEQALFNTQTRRQIYEYS----------------LQ

General information: TITO was launched using: RESULT: Template: 5HAF.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain A - contact count / total energy / energy per contact / energy per residue : 1318 40413 30.66 136.07 target 2D structure prediction score : 0.57 Monomeric hydrophicity matching model chain A : 0.66 3D Compatibility (PKB) : 30.66 2D Compatibility (Sec. Struct. Predict.) : 0.57 1D Compatibility (Hydrophobicity) : 0.66 QMean score : 0.155

(partial model without unconserved sides chains): PDB file : Tito_5HAF.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5HAF-query.scw PDB file : Tito_Scwrl_5HAF.pdb: