Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MISKRLELVASFVSQGAILLDVGSDHAYLPIELVERG-QIKSAIAGEVVEGPYQSAVKNVEAHGLKEKIQVRLANGLA-AFEETDQVSVITIAGMGGRLIARILEEGLGKLA-NVERLILQ-PN-NREDDLRIWLQDHGFQIVAERILEEAGKFYEILVVEAGQMKLSASDVRFGPFLSKEVSPVFVQKWQKEAEKLEFALGQIPEKNLEERQVLVDKIQAIKEVLHVSK 5CCX Chain:A ((102-235)) -------------RPGSVVCESGTGSGSVSHAIIRTIAPTGHLHTVEFHQQRAEKAREEFQEHRVGRWVTVRTQDVCRSGFGVSHVADAVFLD-IPS--PWEAVGHAWDALKVEGGRFCSFSPCIEQVQRTCQALAARGFSELS--------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 5CCX.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 : 597 -11927 -19.98 -96.97 target 2D structure prediction score : 0.54 Monomeric hydrophicity matching model chain A : 0.60 3D Compatibility (PKB) : -19.98 2D Compatibility (Sec. Struct. Predict.) : 0.54 1D Compatibility (Hydrophobicity) : 0.60 QMean score : 0.511

(partial model without unconserved sides chains): PDB file : Tito_5CCX.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5CCX-query.scw PDB file : Tito_Scwrl_5CCX.pdb: