Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNHIKWLSDLKKAGLLALGKGVITLLKRFSLVIVTLMMSIVVVLAAAKESPGDHVISFDEPIILMISIGIVVFLLIPPLVMSFFGNLVVRIISGVYQCFIVFTFLGLIPIGFLIPNGFLTILVSIAGTLVSIASVAVTLCIGKNKKDI--- 2KCD Chain:A ((1-120)) MTLELQLKHYITNLFNLPRD------EKWECESIEEVADDILPDQYVRLGPLSN----------------------KILQTNTYYSDTLHKSN--IYPFILYYQKQLIAIGFIDENHDMDFLYL-HNTVMPLLDQRYLLTGGQLEHHHHHH

General information: TITO was launched using: RESULT: Template: 2KCD.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 : 453 -87583 -193.34 -748.57 target 2D structure prediction score : 0.30 Monomeric hydrophicity matching model chain A : 0.54 3D Compatibility (PKB) : -193.34 2D Compatibility (Sec. Struct. Predict.) : 0.30 1D Compatibility (Hydrophobicity) : 0.54 QMean score : 0.312

(partial model without unconserved sides chains): PDB file : Tito_2KCD.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2KCD-query.scw PDB file : Tito_Scwrl_2KCD.pdb: