Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MPIDTQLTTLFCLIDDFCTDITQNVEQYMLTYGQTKRLRQSKIHASEVITLLLWFHLTGSRNFKAFYLYWAKPFLCSYFTNLPSYSRFIELKAKYAMYFVALIESLKVHSAGIAFIDSTKLAVCHNKRIHQHRVFADSASRGKTSVDWFYGFKIHLICDHIGRLVSYCITTGNVDDRKVLPDLIEHSKPKGKLFGDRGYVGTNWKSRLAEVGVQLITRVKRNMKPQVLAPFDHAVLRKRGIIEAPFKLMKSQFDLEHSRHRSKMGLLTTIFAALTLYALVLVNGYKSGIQQILKPIDLNSA 4HLB Chain:A ((35-57)) ------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------RYADKGIRSVDVAAYAK--GIDIVF------------------------------------------------------------------------------------

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 : 32 -4212 -131.63 -183.13 target 2D structure prediction score : 0.48 Monomeric hydrophicity matching model chain A : 0.49 3D Compatibility (PKB) : -131.63 2D Compatibility (Sec. Struct. Predict.) : 0.48 1D Compatibility (Hydrophobicity) : 0.49 QMean score : 0.395

(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: