Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MYGGKSAEHNVSLQTALAVIKALNTEKFDIHPIYITEKGEWVRGARLTEPVSNVKMLQFEQGGSAFSPAALNQEMFP-----QEASQQN----EAIDVVFPLLHGPNGEDGTIQGMLELLNIPYVGNGVLASSAGMDKVVMKHLFAQVGLAQAKYAAFLKKDWTRSPKESCEEVEQELGYPCFVKPANLGSSVGISKCRNREELQKAFELAFQYDRKVVVEEGINGREIEIGVLGNDDPKCSVVGEIAPKTDFYDYKAKYEDGDTDLMIPAIVTDEEYATISDMAIKAFKAIDGSGLVRADFFLTADGEVLINEVNTMPGFTPFSMFPLLWKEAGVEYADLIEQLVELAKERHAEKQLIKHTF 3I12 Chain:B ((9-363)) VFGGKSAEHEVSLQSAKNIVDAIDKTRFDVVLLGIDKAGQW-----HVNDAENYLQNADDPAHIALRPSAISLAQVPGKHQHQLINAQNGQPLPTVDVIFPIVHGTLGEDGSLQGMLRVANLPFVGSDVLSSAACMDKDVAKRLLRDAGL---NIAPFITLTRTNRHAFSFAEVESRLGLPLFVKPANQGSSVGVSKVANEAQYQQAVALAFEFDHKVVVEQGIKGREIECAVLGNDNPQASTCGEIVL----------------QVVVPAQIPSEVNDKIRAIAIQAYQTLGCAGMARVDVFLTADNEVVINEINTLPGFTNISMYPKLWQASGLGYTDLISRLIELALERHTANNALKTT-

General information: TITO was launched using: RESULT: Template: 3I12.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 1768 -160410 -90.73 -487.57 target 2D structure prediction score : 0.69 Monomeric hydrophicity matching model chain B : 0.82 3D Compatibility (PKB) : -90.73 2D Compatibility (Sec. Struct. Predict.) : 0.69 1D Compatibility (Hydrophobicity) : 0.82 QMean score : 0.547

(partial model without unconserved sides chains): PDB file : Tito_3I12.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3I12-query.scw PDB file : Tito_Scwrl_3I12.pdb: