Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence -MDSLSKKLAIQVLNDEAERIKRLIRNQNNSLCISQCKAFEEVVDTQMYGFSRQVGFAVRIGVIGKNEGQLMLSELERELNQLYSEVYQEIYDKKEVGKEE 5DQS Chain:D ((4-90)) GFGDLKSPAGLQVLNDYLAD-KSYIEGYVPS--QADVAVFEAVSSPPPADLCHALRWYNHIKSYEKEKASL--PGVKKALGK---------YGPADVEDTT

General information: TITO was launched using: RESULT: Template: 5DQS.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain D - contact count / total energy / energy per contact / energy per residue : 326 15782 48.41 183.51 target 2D structure prediction score : 0.40 Monomeric hydrophicity matching model chain D : 0.66 3D Compatibility (PKB) : 48.41 2D Compatibility (Sec. Struct. Predict.) : 0.40 1D Compatibility (Hydrophobicity) : 0.66 QMean score : 0.262

(partial model without unconserved sides chains): PDB file : Tito_5DQS.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5DQS-query.scw PDB file : Tito_Scwrl_5DQS.pdb: