Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence EMDPPAAEVNDKLRDMPDGTFLVRDASTKMQGDYTLTLRKGGNNKLIKIYHRDGKYGFSDPLTFNSVVELINHY 4WAF Chain:B ((43-120)) --DISREEVNEKLRDTADGTFLVRDAST----DYTLTLRKGGNNKLIKIF-------FSDPLTFSSVVELINHY

General information: TITO was launched using: RESULT: Template: 4WAF.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 : 176 -24596 -139.75 -403.21 target 2D structure prediction score : 0.74 Monomeric hydrophicity matching model chain B : 0.91 3D Compatibility (PKB) : -139.75 2D Compatibility (Sec. Struct. Predict.) : 0.74 1D Compatibility (Hydrophobicity) : 0.91 QMean score : 0.817

(partial model without unconserved sides chains): PDB file : Tito_4WAF.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4WAF-query.scw PDB file : Tito_Scwrl_4WAF.pdb: