Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MGNTRKKVSVIGAGFTGATTAFLIAQKELADVVLVDIPQLENPTKGKALDMLEASPVQGFDAKITGTSNYEDTAGSDIVVITAGIARKPGMSRDDLVSTNEKIMRSVTQEIVKYSPDSIIVVLTNPVDAMTYAVYKESGFPKERVIGQSGVLDTARFRTFVAEELNLSVKDVTGFVLGGHGDDMVPLVRYSYAGGIPL-----ETLIPKERIDAIVERTRKGGGEIVNLLGNGSAYYAPAASLTEMVEAILKDQRRVLPTIAYLEGEYGYEGIYLGVPTIVGGNGLEQIIELELTDYERAQLNKSVESVKNVMKVLS 4PLV Chain:D ((4-318)) ----RKKISLIGAGNIGGTLAHLIAQKELGDVVLFDI--VEGMPQGKALDISHSSPIMGSNVKITGTNNYEDIKGSDVVIITAGI--------DDLLSVNAKIMKDVAENIKKYCPNAFVIVVTNPLDVMVYVLHKYSGLPHNKVCGMAGVLDSSRFRYFLAEKLNVSPNDVQAMVIGGHGDTMVPLTRYCTVGGIPLTEFIKQGWITQEEIDEIVERTRNAGGEIVNLLKTGSAYFAPAASAIEMAESYLKDKKRILPCSAYLEGQYGVKDLFVGVPVIIGKNGVEKIIELELTEEEQEMFDKSVESVRELVETV-

General information: TITO was launched using: RESULT: Template: 4PLV.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain D - contact count / total energy / energy per contact / energy per residue : 1728 -131883 -76.32 -444.05 target 2D structure prediction score : 0.65 Monomeric hydrophicity matching model chain D : 0.89 3D Compatibility (PKB) : -76.32 2D Compatibility (Sec. Struct. Predict.) : 0.65 1D Compatibility (Hydrophobicity) : 0.89 QMean score : 0.547

(partial model without unconserved sides chains): PDB file : Tito_4PLV.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4PLV-query.scw PDB file : Tito_Scwrl_4PLV.pdb: