Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MPIDTQLTTLFCLIDDFCTDITQNVEQYMLTYGQTKRLRQSKIHASEVITLLLWFHLTGSRNFKAFYLYWAKPFLCSYFTNLPSYSRFIELKAKYAMYFVALIESLKVHSAGIAFIDSTKLAVCHNKRIHQHRVFADSASRGKTSVDWFYGFKIHLICDHIGRLVSYCITTGNVDDRKVLPDLIEHSKLKGKLFGDRGYVGKNWKSRLAEVGVQLITRVKRNMKPQVLALFDHAVLRKRGIIEAPFKLMKSQFDLEHSRHRSKMGLLTTIFAALTLYALVLVNGYKSGIQQILKPIDLNSA 4HLB Chain:A ((35-89)) ------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------RYADKGIRSVDVAAYAKGIDIVFVAADRKMTR-AE-----FS-----AIASRSIRELKERFGFDKD-------------------------------------------

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 : 116 -18838 -162.40 -342.51 target 2D structure prediction score : 0.47 Monomeric hydrophicity matching model chain A : 0.50 3D Compatibility (PKB) : -162.40 2D Compatibility (Sec. Struct. Predict.) : 0.47 1D Compatibility (Hydrophobicity) : 0.50 QMean score : 0.430

(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: