Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence ----------------------------------------------------------------------------------------------------------------------------------------------MKNEINYLTMAMS----LIALAMSFLTFQCNLLIVGMCY--GAALVLIIIYIILKINRKTRNKDSNKC------------------------------------------------------------------------------------------- 5B46 Chain:B ((4-304)) RKPVFVDWCPGCGDFGILRAEEMAIRELGINPKSVVIVSGIGCSGKIPHFMNLPISGVHTLHGRSIAFATGIKLSNPSLEVIVNVGDGDGLGIGMGHFVHLGRRNIDIAVLVHNNGVYGLTKGQASPTLHRGEKTKSLPKPNIMDAVNPLAVALAAGYTFVARGYAYDVMHLKELIKKAILHKGSALVDILQPCPTYNDINTKEWYDKRVYKLDNVPGWDPVVRKEEEAQKKFEQAIMKSYEWGEKIPIGIFYQNELVPTFEDRLTSNIPNYREYYPAKQQIEINGISTTKIDELIKAKRI

General information: TITO was launched using: RESULT: Template: 5B46.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 : 173 -10725 -61.99 -172.98 target 2D structure prediction score : 0.29 Monomeric hydrophicity matching model chain B : 0.54 3D Compatibility (PKB) : -61.99 2D Compatibility (Sec. Struct. Predict.) : 0.29 1D Compatibility (Hydrophobicity) : 0.54 QMean score : 0.149

(partial model without unconserved sides chains): PDB file : Tito_5B46.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5B46-query.scw PDB file : Tito_Scwrl_5B46.pdb: