Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MLTYGQTKRLRQSKIHASEVITLLLWFHLTGSRNFKAFYLYWAKPFLCSYFTNLPSYSRFIELKAKYAMYFVALIESLKVHSAGIAFIDSTKLAVCHNKRIHQHRVFADSASRGKTSVDWFYGFKIHLICDHIGRLVSYCITTGNVDDRKVLPDLIEHSKLKGKLFGDRGYVGKNWKSRLAEVGVQLITRVKRNMKPQVLAPFDHAVLKKRGIIEAPFKLMKCQFDLEHGRHRSKMGLLTTIFAALTLYALVLVNGYKSGIQQILKPIDLNSA 4HLB Chain:A ((34-88)) -------------------------------------------------------------------------------------------------------------------------------------------------------------------ARYADKGIRSVDVAAYAKGIDIVFVAADRKMTRAEF------S-----AIASRSIRELKERFGFDK--------------------------------------------

General information: TITO was launched using: RESULT: Template: 4HLB.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 : 118 -19112 -161.96 -347.48 target 2D structure prediction score : 0.29 Monomeric hydrophicity matching model chain A : 0.51 3D Compatibility (PKB) : -161.96 2D Compatibility (Sec. Struct. Predict.) : 0.29 1D Compatibility (Hydrophobicity) : 0.51 QMean score : 0.321

(partial model without unconserved sides chains): PDB file : Tito_4HLB.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4HLB-query.scw PDB file : Tito_Scwrl_4HLB.pdb: