Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MYGGKSAEHNVSLQTALAVIKALNTEKFDIHPIYITEKGEWVRGARLTEPVSNVKMLQFEQGGSAFSPAALNQEMFP-----QEASQQN----EAIDVVFPLLHGPNGEDGTIQGMLELLNIPYVGNGVLASSAGMDKVVMKHLFAQVGLAQAKYAAFLKKDWTRSPKESCEEVEQELGYPCFVKPANLGSSVGISKCRNREELQKAFELAFQYDRKVVVEEGINGREIEIGVLGNDDPKCSVVGEIAPKTDFYDYKAKY-EDGDTDLMIPAIVTDEEYATISDMAIKAFKAIDGSGLVRADFFLTADGEVLINEVNTMPGFTPFSMFPLLWKEAGVEYADLIEQLVELAKERHAEKQLIKHTF 3I12 Chain:D ((9-363)) VFGGKSAEHEVSLQSAKNIVDAIDKTRFDVVLLGIDKAGQW-----HVNDAENYLQNADDPAHIALRPSAISLAQVPGKHQHQLINAQNGQPLPTVDVIFPIVHGTLGEDGSLQGMLRVANLPFVGSDVLSSAACMDKDVAKRLLRDAGL---NIAPFITLTRTNRHAFSFAEVESRLGLPLFVKPANQGSSVGVSKVANEAQYQQAVALAFEFDHKVVVEQGIKGREIECAVLGNDNPQASTCGEIVLNSEFY------IDDNGAQVVVPAQIPSEVNDKIRAIAIQAYQTLGCAGMARVDVFLTADNEVVINEINTLPGFTNISMYPKLWQASGLGYTDLISRLIELALERHTANNALKTT-

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 D - contact count / total energy / energy per contact / energy per residue : 1836 -158942 -86.57 -468.85 target 2D structure prediction score : 0.66 Monomeric hydrophicity matching model chain D : 0.83 3D Compatibility (PKB) : -86.57 2D Compatibility (Sec. Struct. Predict.) : 0.66 1D Compatibility (Hydrophobicity) : 0.83 QMean score : 0.543

(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: