Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKKTIGFIGLGVMGKSMASHILNDGHPVLVYTRTKEKAESILQKGAIWKDTVKDLSKEADVIITMVGYPSDVEEVYFGSNGIIENAKEGAYLIDMTTSKPSLAKKIAEAAKEKALFALDAPVSGGDIGAQNGTLAIMVGGEKEAFEACMPIFSLMGENIQYQGPAGSGQHTKMCNQIAIAAGMIGVAEAMAYAQKSGLEPENVLKSITTGAAGSWSLSNLAPR-------MLQGNFEPGFYVKHFIKDMGIALEEAELMGEEMPGLSLAKSLYDKLAAQGEENSGTQSIYKLWVK 3OBB Chain:A ((3-295)) -MKQIAFIGLGHMGAPMATNLLKAGYLLNVFDLVQSAVDGLVAAGASAARSARDAVQGADVVISMLPASQHVEGLYLDDDGLLAHIAP-TLVLECSTIAPTSARKIHAAARERGLAMLDAPVSGGTAGAAAGTLTFMVGGDAEALEKARPLFEAMGRNIFHAGPDGAGQVAKVCNNQLLAVLMIGTAEAMALGVANGLEAKVLAEIMRRSSGGNWALEVYNPWPGVMENAPASRDYSGGFMAQLMAKDLGLAQEAAQASASSTPMGSLALSLYRLLLKQGYAERDFSVVQKLFD-

General information: TITO was launched using: RESULT: Template: 3OBB.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 : 1624 -197349 -121.52 -692.45 target 2D structure prediction score : 0.75 Monomeric hydrophicity matching model chain A : 0.77 3D Compatibility (PKB) : -121.52 2D Compatibility (Sec. Struct. Predict.) : 0.75 1D Compatibility (Hydrophobicity) : 0.77 QMean score : 0.511

(partial model without unconserved sides chains): PDB file : Tito_3OBB.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3OBB-query.scw PDB file : Tito_Scwrl_3OBB.pdb: