Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MFTKKDLLQQRMLIDQLRTQNSLSPQNAAKLGQSIASSWERSASAAIPKERFAAPLLEKKSASQNALDLALSQCADDLRHIAEQSSMVIAVGDIGSTIIWTASSAQMQSAAERVHFVQGGQWREEFVGTNALALSLKTQQSSCVFSNEHYMESIHDWVCYAAPIIDPYSKQTLGVVDLSTTWKNHNTLGILAAERCASIIQSALLEQQRQQLHIRAFSTPQVKFNGKSLLLTPRQIEILTILALCPHGLTLENLYQALYGERKVSMGTLKAEMSQLRDILGGLLGSRPYRLLVHVEADFLQAEQALDAGYVASALQLYAGVFLAKTESPFLCAWRDCLESRLSDAIFKAQETDLLLKHLAHFPEAIDAVERLMELLPSEHPAHQLLVKYIDSPKLS 3QP6 Chain:A ((195-245)) -----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------NMPLSQREYDIFHWMS---RGKTNWEIATIL----NISERTVKFHVANVIRKLN--ANNR-------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3QP6.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 : 156 -24777 -158.82 -485.81 target 2D structure prediction score : 0.61 Monomeric hydrophicity matching model chain A : 0.54 3D Compatibility (PKB) : -158.82 2D Compatibility (Sec. Struct. Predict.) : 0.61 1D Compatibility (Hydrophobicity) : 0.54 QMean score : 0.759

(partial model without unconserved sides chains): PDB file : Tito_3QP6.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3QP6-query.scw PDB file : Tito_Scwrl_3QP6.pdb: