Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MTGVISSSSIGEKINEWYMYIRRFSIPDAEYLRREIKQELDQMEEDQDLHLYYSLMEFRHNLMLEYLEPLEKMRIEEQPRLSDLLLEIDKKQARLTGLLEYYFNFFRGMYELDQREYLSAIKFFKKAESKLIFVKDRIEKAEFFFKMSESYYYMKQTYFSMDYARQAYEIYKEHEAYNIRLLQCHSLFATNFLDLKQYEDAISHFQKAYSMAEAEKQ-PQLMGRTLYNIGLCKNSQSQYEDAIPYFKRAIAVFEESNILPSLPQAYFLITQIHYKLGKIDKAHEYHSKGMAYSQKAGDVIYLS-EFEFLKSL-YLSGPDE-E-AIQGFFDFLESKMLYADLEDFAIDVAKYYHERKNFQKASAYFLKVEQVRQLIQGGVSLYEIEV 4GPK Chain:A ((9-359)) -----VEEDVKGKLDEWLNALVHLDKQQVERIYEELQGEMKH-VLDFEIINYYKLLYTRYLIMKRDISALEEE-LD---KL---KKVYK----KYSPFQKLLYMYGRGLLCCLQYRWKDGLDYLLKTEVMAKEQGY--HETGLYYNIALAYTHLDIHHLAIHFVNMALEGFRSE-YKFRNIINCQILIAVSYTEKGQYEEALKMYESILREATSFADKDVLLAITLSNMGSIYYKKGKYQQAKKYYLDSLQLQKQIDL--NYLDTIYEMALVCIKLEELEEARTLIDKGIDAAKQEERFNAKLYLLLMLRYKYFEEAKDYKAFLENEAIPLYK----------VYVELAEHFSSLSRFEESNRYYRLVIDLMN-------------

General information: TITO was launched using: RESULT: Template: 4GPK.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 : 1331 -123853 -93.05 -368.61 target 2D structure prediction score : 0.60 Monomeric hydrophicity matching model chain A : 0.67 3D Compatibility (PKB) : -93.05 2D Compatibility (Sec. Struct. Predict.) : 0.60 1D Compatibility (Hydrophobicity) : 0.67 QMean score : 0.450

(partial model without unconserved sides chains): PDB file : Tito_4GPK.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4GPK-query.scw PDB file : Tito_Scwrl_4GPK.pdb: