Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKMLAQLQNRFDQWVEQIVQYLDRLSVRERIMVVFTTIFVVVVIVGYSLWKMHSLAEQQQKRLNDLKDLMVWMQSNAVTMKPANELELDKSGKIQRVAQQQGLTVSSQQNGEQLQIVVTHQNYAILANFLIQLAQMGLSIQKMEMVSSEGQIKLTATV----- 4BHQ Chain:A ((50-158)) ----------AVPWSQYLAAFINQIPRAGGRLEVALRSVSARALSEEEAARLAQEGTYDGKRIRVEFALQGEALSREALVRFIRAFETSP--------------------------------------------RFGIEFQGASLDEGRGLYTFSARVGVTGG

General information: TITO was launched using: RESULT: Template: 4BHQ.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 : 362 -40964 -113.16 -393.88 target 2D structure prediction score : 0.34 Monomeric hydrophicity matching model chain A : 0.59 3D Compatibility (PKB) : -113.16 2D Compatibility (Sec. Struct. Predict.) : 0.34 1D Compatibility (Hydrophobicity) : 0.59 QMean score : 0.177

(partial model without unconserved sides chains): PDB file : Tito_4BHQ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4BHQ-query.scw PDB file : Tito_Scwrl_4BHQ.pdb: