Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKTGYFLLEDGNKIEFELYPEAAPGTVANFEKLANEGFYDGLTFHRVIPGFVSQGGCPHGTGTGGPG-YTIKCETEGNPHTHEAGA--LSMAHAGKDTGGSQFFIVHEPQPHLNGVHTVFGKVTSGLEFAKNMSNGDVMKEVRVEG 2X7K Chain:A ((23-136)) -------------IVLELYWKHAPKTCKNFAELARRGYYNGTKFHRIIKDFMIQGGDPTGTGRGGASIYGKQFEDELHPDLKFTGAGILAMANAGPDTNGSQFFVTLAPTQWLDGKHTIFGRVCQGI-------------------

General information: TITO was launched using: RESULT: Template: 2X7K.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 : 513 -16998 -33.13 -153.14 target 2D structure prediction score : 0.65 Monomeric hydrophicity matching model chain A : 0.76 3D Compatibility (PKB) : -33.13 2D Compatibility (Sec. Struct. Predict.) : 0.65 1D Compatibility (Hydrophobicity) : 0.76 QMean score : 0.576

(partial model without unconserved sides chains): PDB file : Tito_2X7K.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2X7K-query.scw PDB file : Tito_Scwrl_2X7K.pdb: