Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKKTFVKKAMLTTAAMTSAALLTFGPDAASAKTPVDNTAVQLQHQA-----STNEDLN-TFIDILNQCIYEQDGVYYFDSEKAVELGM-----TKEEAQVIATLWESTSEFFSIVSQCVYLEDGNYKFDTEKAVELGFTEKEA---LALEQFFSAVSLKIHI------------LQAAIVLQDDVYSYDKDAALQAGATPLQ--ADVYEKLFSAL---SQEQLAAIYDMIHPQA 2DVY Chain:A ((1-223)) MIHLTSVEASVSFENGKIVVRLPITRPTSKIRVKKIENGVGIPVSTRKKSFPSDENLRDYYIEW--QISYARDGKYDYELSRMVRLAHEHGILTYNDIYELLKFADDVKS---------YLEDKGIRRESTNEELYGFNIYEDVYPVAKKELPSGEFIGIVLKHKQRAVGYQSMVYVCIPLTNVEPSLAGRVARRNEVVKYEVPVDLMKELLKAFIIASETHKNDIVKFLRSII

General information: TITO was launched using: RESULT: Template: 2DVY.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 : 761 -76440 -100.45 -398.12 target 2D structure prediction score : 0.50 Monomeric hydrophicity matching model chain A : 0.66 3D Compatibility (PKB) : -100.45 2D Compatibility (Sec. Struct. Predict.) : 0.50 1D Compatibility (Hydrophobicity) : 0.66 QMean score : 0.147

(partial model without unconserved sides chains): PDB file : Tito_2DVY.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2DVY-query.scw PDB file : Tito_Scwrl_2DVY.pdb: