Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSQAIPSSRVGVKINEWYKMIRQFSVPDAEILKAEVEQDIQQMEEDQDLLIYYSLMCFRHQLMLDYLEPGKTYGNRPTVTELLETIETPQKKLTGLLKYYSLFFRGMYEFDQKEYVEAIGYYREAE---KELPFVSDDIEKAEFHFKVAEAYYHMKQTHVSMYHILQALDIYQNHPLYSIRTIQSL-FVIAGNYDDFKHYDKALPHLEAALELAMDIQN-DRFIAISLLNIANSYDRSGDDQMAVEHFQKAAKVSREKVPDLLPKVLFGLSWTLCKAGQTQKAFQFIEEGLDHITARSHKFYKELFLFLQAVYKETVDERKIHDLLSYFEKKNLHAYIEACAR---SAAAVFESSCHFEQAAAFYRKVLKAQEDILKGECLYAY 4GPK Chain:A ((13-359)) ---------VKGKLDEWLNALVHLDKQQVERIYEELQGEMKHVL-DFEIINYYKLLYTRYLIM---------KRDISALEEELDKLKKVYKKYSPFQKLLYMYGRGLLCCLQYRWKDGLDYLLKTEVMAKEQGY-----HETGLYYNIALAYTHLDIHHLAIHFVNMALEGFRSE--YKFRNIINCQILIAVSYTEKGQYEEALKMYESILREATSFADKDVLLAITLSNMGSIYYKKGKYQQAKKYYLDSLQLQKQIDLNYLDTI-YEMALVCIKLEELEEARTLIDKGID-AAKQEERFNAKLYLLLMLRYK-YFEEAK--DYKAFLENEAIPLYK-----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 : 1266 -153598 -121.33 -466.86 target 2D structure prediction score : 0.68 Monomeric hydrophicity matching model chain A : 0.70 3D Compatibility (PKB) : -121.33 2D Compatibility (Sec. Struct. Predict.) : 0.68 1D Compatibility (Hydrophobicity) : 0.70 QMean score : 0.503

(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: