Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSKSIEKFPKELVSPIAQLHSLVEKNSKLHIKELFAAEQDRFQNYSVKFD----QLVFDYSKHRITKSVLEQLFALAKTKQLTHWIERLFSQDKVNCTEQRAAMHWALRLPSEYS---KFPELTKQVHTQLQRMYVLVEKIHAGQYRGATGEVIQDVVNIGVGGSDLGPQMVTHALCDFKVKTAKPLNVHFVSTMDGSQLSDLLHQLRPETTLFIISSKSFGTIDTLSNAQTVRQWLEKALGKHDRVVKSHFIGVSTKAEKMTEWGIAPENQLLLWDWVGGRYSLWSCIGFPIALTIGIDGFQQLLAGAHAVDEHFQNTNFEQNIPVLMALLGIWNNNFLNIQTHAVLPYDGRLKYFAAYLQQLEMESNGKSVQRDGQKVELDTCPIVWGEVGPNAQHAFYQLLHQGTQAVSCDFIAPIQRYNADHFTYVENAEALIEQHHLALSNCLAQSRLLAFG------NEALDSA-----ELKNLPIYKQYEGNQPSSTLLLKELNPYSLGMLIALYEHKVFVQSVIWNINPFDQWGVEKGKQIADQLLPILNGAQNDLSALDASTRGLIKILLGKVDG 2CXQ Chain:B ((21-549)) -------------------------SANLKLRELFEADPERFNNFSLNLNTNHGHILVDYSKNLVSKEVMQMLVELAKSRGVEAARDNMFSGSKINYTEDRAVLHVALRNRSNTPIKVDGKDVMPEVNRVLDKMKSFCQRVRSGDWKGYTGKSITDIINIGIGGSDLGPLMVTEALKPYSKGGPR---VWFVSNIDGTHIAKTLASLSPETSLFIIASKTFTTQETITNAETAKEWFLEA-AKDPSAVAKHFVALSTNTAKVKEFGIDPQNMFEFWDWVGGRYSLWSAIGLSIALHVGFDHFEQLLSGAHWMDQHFLKTPLEKNAPVLLALLGIWYINCYGCETHALLPYDQYMHRFAAYFQQGDMESNGKYITKSGARVDHQTGPIVWGEPGTNGQHAFYQLIHQGTKMIPCDFLIPVQ-------TQHPIRKGL--HHKILLANFLAQTEALMKGKLPEEARKELQAAGKSPEDLEKLLPHKVFEGNRPTNSIVFTKLTPFILGALIAMYEHKIFVQGIMWDINSFDQWGVELGKQLAKKIEPELEGS-SAVTSHDSSTNGLISFI------

General information: TITO was launched using: RESULT: Template: 2CXQ.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 : 2697 -6198 -2.30 -12.13 target 2D structure prediction score : 0.64 Monomeric hydrophicity matching model chain B : 0.83 3D Compatibility (PKB) : -2.30 2D Compatibility (Sec. Struct. Predict.) : 0.64 1D Compatibility (Hydrophobicity) : 0.83 QMean score : 0.509

(partial model without unconserved sides chains): PDB file : Tito_2CXQ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2CXQ-query.scw PDB file : Tito_Scwrl_2CXQ.pdb: