Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSLLERLNQDMKLYMKNREKDKLTVVRMVKASLQNEAIKLKKDSLTEDEELTVLSRELKQRKDSLQEFSNANRLDLVDKVQKELDILEVYLPEQLSEEELRTIVNETIAEVGASSKADMGKVMGAIMPKVKGKADGSLINKLVSSQLS 2KVC Chain:A ((35-84)) ------------------------------------------------------------------------------------------LCRRLSHDEVKAVANELMRLG-DFDQIDIGVVITHFTDELPSPEDVERVRA-------

General information: TITO was launched using: RESULT: Template: 2KVC.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 : 93 -11276 -121.25 -225.52 target 2D structure prediction score : 0.76 Monomeric hydrophicity matching model chain A : 0.63 3D Compatibility (PKB) : -121.25 2D Compatibility (Sec. Struct. Predict.) : 0.76 1D Compatibility (Hydrophobicity) : 0.63 QMean score : 0.498

(partial model without unconserved sides chains): PDB file : Tito_2KVC.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2KVC-query.scw PDB file : Tito_Scwrl_2KVC.pdb: