Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKILGVTGFILICLLAISVLMDMLQGFSLTKAVYNNMSSFKMTTFAEWVVLLFFVLVLVREMYVIYKSKKKNP 3QRX Chain:B ((13-21)) ----------------------------------------------------------LPALISWIK------

General information: TITO was launched using: RESULT: Template: 3QRX.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 1 441 440.50 48.94 target 2D structure prediction score : 0.56 Monomeric hydrophicity matching model chain B : 0.38 3D Compatibility (PKB) : 440.50 2D Compatibility (Sec. Struct. Predict.) : 0.56 1D Compatibility (Hydrophobicity) : 0.38 QMean score : -0.142

(partial model without unconserved sides chains): PDB file : Tito_3QRX.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3QRX-query.scw PDB file : Tito_Scwrl_3QRX.pdb: