Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MPARGRSVNKGYPITDLVILAGGQARRMNGLNKLLQQFDSDTQLLKIHQKLKSSVSEIWVNSHRDYSIYQSIVPDIKCFQDDASGFFGPLMGMKSAWSHVKADYVLFIPCDVTYMPTQVVAKLHSALRKNKQAQAAYVSINGDALYPFC-LLKRESLEVLEQQIDKQQLSLKNCFKLLHAQVAIFQKQNLFFHSINSLDELQQYKQIKAFKEIFSTN 1E5K Chain:A ((4-191)) -----------MTTITGVVLAGGKARRMGGVDKGLLELNGKPLWQHVADALMTQLSHVVVNANRHQ-EIYQ-ASGLKVIEDSLADYPGPLAGMLSVMQQEAGEWFLFCPCDTPYIPPDLAARLNHQRK---DA-PVVWVHDGERDHPTIALVNRAIEPLLLEYLQAGERRVMVFMRLAGGHAVDFSDHKDAFVNVNTPEELARWQ------------

General information: TITO was launched using: RESULT: Template: 1E5K.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 : 1006 -103224 -102.61 -552.00 target 2D structure prediction score : 0.57 Monomeric hydrophicity matching model chain A : 0.74 3D Compatibility (PKB) : -102.61 2D Compatibility (Sec. Struct. Predict.) : 0.57 1D Compatibility (Hydrophobicity) : 0.74 QMean score : 0.448

(partial model without unconserved sides chains): PDB file : Tito_1E5K.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1E5K-query.scw PDB file : Tito_Scwrl_1E5K.pdb: