Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MYIMKQSGWLELICGSMFSGKSEELIRRVKRATYAKQEVRVFKPVIDNRYSEAAVVSHNGTSMTSYAISSAADIWDHISESTDVVAVDEVQFFDQEIVEVLSSLADKGYRVIAAGLDMDFRGEPFGVVPNIMAIAESVTKLQAVCSVCGSPASRTQRLIDGKPASYDDPVILVGAAESYEARCRHHHEVPGKSKK 1W4R Chain:D ((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 D - contact count / total energy / energy per contact / energy per residue : 830 -105548 -127.17 -680.95 target 2D structure prediction score : 0.49 Monomeric hydrophicity matching model chain D : 0.76 3D Compatibility (PKB) : -127.17 2D Compatibility (Sec. Struct. Predict.) : 0.49 1D Compatibility (Hydrophobicity) : 0.76 QMean score : 0.443

(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: