Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MDVRNKTLWILRDYVYILIGAAITAVSFNVFLLPNKIAAGGVSGISTILQSYGFEAAYVQWIINIPLFIAGVILLGGKFGLKTLAGSVFLPLVVFLTRDIQPATHHELLAAIFGGVGIGIGIGIVYLGKGSTGGTALAAQIIHKYSGLSLGKCLAIIDGMIVVTAMIVFNIEQGLYAMLGVYVSSKTIDVVQVGFNRSKMALIITKQEQAVKEAVLQKIDRGVTKISAVGGYTDDDRPILMCVVGQTEFTKLKQIVKQIDESAFVIVADASEVLGEGFKRA 3HLU Chain:A ((10-75)) ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------IVSAKRKIIADRMLQELDLGVTMLQAVGAYKNNETEVIMCVMRKATLVKVRNLLKEVDPDAFMIVS-------------

General information: TITO was launched using: RESULT: Template: 3HLU.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 : 199 -47199 -237.18 -715.13 target 2D structure prediction score : 0.64 Monomeric hydrophicity matching model chain A : 0.49 3D Compatibility (PKB) : -237.18 2D Compatibility (Sec. Struct. Predict.) : 0.64 1D Compatibility (Hydrophobicity) : 0.49 QMean score : 0.491

(partial model without unconserved sides chains): PDB file : Tito_3HLU.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3HLU-query.scw PDB file : Tito_Scwrl_3HLU.pdb: