Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MDVRNKTLWILRDYVYILIGAAITAVSFNVFLLPNKIAAGGVSGISTILQSYGFEAAYVQWIINIPLFIAGVILLGGKFGLKTLAGSVFLPLVVFLTRDIQPATHHELLAAIFGGVGIGIGIGIVYLGKGSTGGTALAAQIIHKYSGLSLGKCLAIIDGMIVVTAMIVFNIEQGLYAMLGVYVSSKTIDVVQVGFNRSKMALIITKQ--EQAVKEAVLQKIDRGVTKISAVGG-YTD-----DDRPILMCVVGQTEFTKLKQIVKQIDE-----SAFVIVADASEVLGEGFKRA 1HWU Chain:A ((4-101)) --------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------VTAIIKPFKLDEVRESLAEVGVTGLTVTEVKGFG---YVVDFLPKVKIEVVVDDKVVEQAVDAIIKAARTGKIGDGKIFVQEVEQVIR------

General information: TITO was launched using: RESULT: Template: 1HWU.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 : 232 11435 49.29 158.82 target 2D structure prediction score : 0.67 Monomeric hydrophicity matching model chain A : 0.43 3D Compatibility (PKB) : 49.29 2D Compatibility (Sec. Struct. Predict.) : 0.67 1D Compatibility (Hydrophobicity) : 0.43 QMean score : 0.537

(partial model without unconserved sides chains): PDB file : Tito_1HWU.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1HWU-query.scw PDB file : Tito_Scwrl_1HWU.pdb: