Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKYKALLSSLSIALFSLSLAGCNDNDSQETAVSTPKQPNILFIMADDLGYSDLGAFGG-EIHTPNIDSLAQEGRILTDYHT-APTCSPTRSQLISGTDHHLAGIGAMAELTPDHLKGQPGYEGYLNERSLSITQVLKDNGYRTYISGKWHLGLTPETNAHAKGFDHSFTLLQGLD-HHFKQAPSAFKRNSTYTEDGQIIPVSALPDDFFSTNYFTDKLLSYLESGKNSGKPFFAYAAYTAPHWPIQAPAEYREKYRGAYDVGYDAIRN---ARI------ERQKQLGIIPVNF-E-----------------AAEPIATQNAPQKYGKYE-------------L--TAEQKALEARKMEIYAGMVENLDANVGRIIQYLKQNNLYDNTLIFFVSDNGAEGFVRGSYGCESGFDNSVANVGTPTSYHYIGPRWAEVSAAPFHLWKDTAGEGATTAPAIVKLPNQKKAEETNHSFASVLDVFPTLLDYAHIPVPQGQYKGRTINTPSGYSWKSVLENKSQT---IRPANFSFADE------LHGSKYAKQGEWKIALQGRPELGTGSWELYNIATDRGENHNVAQL--YPAKVQELLAVYQKYTEQNGVQEYNAK 5G2V Chain:A ((27-512)) -----------------------------------KRPNIIFMMTDDHTTQAMSCYGGNLIQTPNMDRIANEGIRFDNCYAVNALSGPSRACILTGKFSHENGFTDNAS--------------TFNGDQQTFPKLLQQAGYQTAMIGKWHLISE------PQGFDHWSILSGQHEQGDYYDP--------DFWEDGKH-----IVEKGYATDIITDKAINFLENR-DKNKPFCMMYHQKAPHRNWMPAPRHLGIFNNTIFPEPANLFDDYEGRGKAAREQDMSIEHTLTNDWDLKLLTREEMLKDTTNRLYSVYKRMPSE---VQDKWDSAYAQRIAEYRKGDLKGKALISWKYQQYMRDYLATVLAVDENIGRLLNYLEKIGELDNTIIVYTSDQGFFLGEHGWF------------------------------------DKRFMYEECQRMPLIIRYPKAIKAGSTSSAISMNVDFAPTFLDFAGVEVPS---------DIQGASLKPVLENEGKTPADWRKAAYYHYYEYPAEHSVKRHYGIRTQDFKLIHFYN---DIDEWEMYDMKADPREMNNIFGKAEYAKKQKELMQLLEETQKQYK-------

General information: TITO was launched using: RESULT: Template: 5G2V.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 : 2611 79985 30.63 186.01 target 2D structure prediction score : 0.62 Monomeric hydrophicity matching model chain A : 0.68 3D Compatibility (PKB) : 30.63 2D Compatibility (Sec. Struct. Predict.) : 0.62 1D Compatibility (Hydrophobicity) : 0.68 QMean score : 0.451

(partial model without unconserved sides chains): PDB file : Tito_5G2V.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5G2V-query.scw PDB file : Tito_Scwrl_5G2V.pdb: