Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MRAKIPSEEVAVKLNEWYKLIRAFEADQAEALKQEIEYDLEDMEENQDLLLYFSLMEFRHRIMLDKLMPVKDSDTKPPFSDMLNEIESNQQKLTGLLEYYFYYFRGMYEFKQKNFILAIDHYKHAEEKLEYVEDEIEKAEFLFKVAEVYYHIKQTYFSMNYASQALDIYTKYELYGRRRVQCEFIIAGNLTDVYHHEKALTHLCSALEHARQL-EEAYMIAAAYYNVGHCKYSLGDYKEAEGYFKTAAAIFEEHNFQQAVQAVFSLTHIYCKEGKYDKAVEAYDRGIKSAAEWED---DMYLTKFRLIHELYLGSGDLNVL--TECFDLLESRQLLADAEDLLHDTAERFNQLEHYESAAFFYRRLMNIKKKLAEQRFQ 4GPK Chain:A ((11-359)) -------EDVKGKLDEWLNALVHLDKQQVERIYEELQGEMKHVLDFE-IINYYKLLYTRYLIMKRDISALEEE---------LDKLKKVYKKYSPFQKLLYMYGRGLLCCLQYRWKDGLDYLLKTEVMAK--EQGYHETGLYYNIALAYTHLDIHHLAIHFVNMALEGF-RSEYKFRNIINCQILIAVSYTEKGQYEEALKMYESILREATSFADKDVLLAITLSNMGSIYYKKGKYQQAKKYYLDSLQLQKQIDL-NYLDTIYEMALVCIKLEELEEARTLIDKGIDAAKQEERFNAKLYLL-LMLRYKYFEEAKDYKAFLENEAIPLYK----------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 : 1288 -165033 -128.13 -495.59 target 2D structure prediction score : 0.59 Monomeric hydrophicity matching model chain A : 0.74 3D Compatibility (PKB) : -128.13 2D Compatibility (Sec. Struct. Predict.) : 0.59 1D Compatibility (Hydrophobicity) : 0.74 QMean score : 0.459

(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: