Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MPIDTQLTTLFCLIDDFCTDITQNVEQYMLTYGQTKRLRQSKIHASEVITLLLWFHLTGSRNFKAFYLYWAKPFLCSYFTNLPSYSRFIELKAKYAMYFVALIESLKVHSAGIAFIDSTKLAVCHNKRIHQHRVFADSASRGKTSVDWFYGFKIHLICDHIGRLVSYCITTGNVDDRKVLPDLIEHSKLKGKLFGDRGYVGKNWKSRLAEVGVQLITRVKRNMKPQVLAPFDHAVLRKR----GIIEAPFKLMKSQFDLEHSRHRSKMGLLTTIFAALTLYALVLVNGYKSGIQQILKPIDLNSA 2GVD Chain:C ((128-219)) --------------------------------------------------------------------------------------------------------------------------------------------------------------------VDYILSVMNVPDFDFPPEFYEHAKALWEDEGVRACYERSNEYQLIDCAQYFLDKIDV-IKQDDYVPSDQDLLRCRVLTSGIFETKFQVDKVNF------------------------------------------------

General information: TITO was launched using: RESULT: Template: 2GVD.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain C - contact count / total energy / energy per contact / energy per residue : 143 -18056 -126.26 -205.18 target 2D structure prediction score : 0.41 Monomeric hydrophicity matching model chain C : 0.53 3D Compatibility (PKB) : -126.26 2D Compatibility (Sec. Struct. Predict.) : 0.41 1D Compatibility (Hydrophobicity) : 0.53 QMean score : 0.095

(partial model without unconserved sides chains): PDB file : Tito_2GVD.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2GVD-query.scw PDB file : Tito_Scwrl_2GVD.pdb: