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

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 A - contact count / total energy / energy per contact / energy per residue : 1712 -132276 -77.26 -446.88 target 2D structure prediction score : 0.64 Monomeric hydrophicity matching model chain A : 0.89 3D Compatibility (PKB) : -77.26 2D Compatibility (Sec. Struct. Predict.) : 0.64 1D Compatibility (Hydrophobicity) : 0.89 QMean score : 0.540

(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: