Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MYIMKQSGWLELICGSMFSGKSEELIRRVKRATYAKQEVRVFKPVIDNRYSEAAVVSHNGTSMTSYAISSAADIWDHISESTDVVAVDEVQFFDQEIVEVLSSLADKGYRVIAAGLDMDFRGEPFGVVPNIMAIAESVTKLQAVCSVCGSPASRTQRLIDGKPASYDDPVILVGAAESYEARCRHHHEVPGKSKK 1W4R Chain:G ((19-187)) ------RGQIQVILGPMFSGKSTELMRRVRRFQIAQYKCLVIKYAKDTR---------------ALPACLLRDVAQE-ALGVAVIGIDEGQFFP-DIVEFCEAMANAGKTVIVAALDGTFQRKPFGAILNLVPLAESVVKLTAVCMECFREAAYTKRL------GTEKEVEVIGGADKYHSVCR-----------

General information: TITO was launched using: RESULT: Template: 1W4R.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain G - contact count / total energy / energy per contact / energy per residue : 835 -108382 -129.80 -699.24 target 2D structure prediction score : 0.49 Monomeric hydrophicity matching model chain G : 0.76 3D Compatibility (PKB) : -129.80 2D Compatibility (Sec. Struct. Predict.) : 0.49 1D Compatibility (Hydrophobicity) : 0.76 QMean score : 0.414

(partial model without unconserved sides chains): PDB file : Tito_1W4R.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1W4R-query.scw PDB file : Tito_Scwrl_1W4R.pdb: