Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MPIDTQLTTLFCLIDDFCTDITQNVEQYMLTYGQTKRLRQSKIHASEVITLLLWFHLTGSRNFKAFYLYWAKPFLCSYFTNLPSYSRFIELKAKYAMYFVALIESLKVHSAGIAFIDSTKLAVCHNKRIHQHRVFADSASRGKTSVDWFYGFKIHLICDHIGRLVSYCITTGNVDDRKVLPDLIEHSKLKGKLFGDRGYVGKNWKSRLAEVGVQLITRVKRNMKPQVLAPFDHAVLKKRGIIEALFKLMKSQFDLEHSRHRSKMGLLTTIFAALTLYALVLVNGYKSGIQQILKPIDLNSA 3PCQ Chain:M ((3-20)) ------------------------------------------LTDTQVYVALVIALLPAV-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3PCQ.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain M - contact count / total energy / energy per contact / energy per residue : 4 -1637 -409.25 -90.94 target 2D structure prediction score : 0.83 Monomeric hydrophicity matching model chain M : 0.49 3D Compatibility (PKB) : -409.25 2D Compatibility (Sec. Struct. Predict.) : 0.83 1D Compatibility (Hydrophobicity) : 0.49 QMean score : 0.390

(partial model without unconserved sides chains): PDB file : Tito_3PCQ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3PCQ-query.scw PDB file : Tito_Scwrl_3PCQ.pdb: