Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKSKGVESRKRLLKAAANEFSVRGFHDAKVSEIVKKAGFTQPSFYLYFQSKEAIFAELITDFHSRVRKLTESLLLENGLNTEDVSKRVLLAVETVFQFLDEDKDLTKIGFFL----NPEA----KQMKKDLAMVLKENLEAEQRLGYFHSELDMETVAECLVGMIEHLTESFLLT-GIKDPASLAAEVVNLLIYGMLPKGNDVR 3VPR Chain:A ((2-188)) -----TTTRDRILEEAAKLFTEKGYEATSVQDLAQALGLSKAALYHHFGSKEEILYEISLLALKGLVAAGEKALE-----VADPKEALRRFMEAHARYFEENYPFFVTMLQGIKSLSPENRLKTIALRDRHEENLRAILRRGVEQGVFR-EVDVALAGRAVLSMLNWMI-RWFRPDGPMRAEEVARAYHDLILRGLERG-----

General information: TITO was launched using: RESULT: Template: 3VPR.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 : 677 -89686 -132.47 -503.85 target 2D structure prediction score : 0.69 Monomeric hydrophicity matching model chain A : 0.69 3D Compatibility (PKB) : -132.47 2D Compatibility (Sec. Struct. Predict.) : 0.69 1D Compatibility (Hydrophobicity) : 0.69 QMean score : 0.528

(partial model without unconserved sides chains): PDB file : Tito_3VPR.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3VPR-query.scw PDB file : Tito_Scwrl_3VPR.pdb: