Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MVIALFSKNWSRTMSATIVNTTDDNFQADVLDAETPVLVDFWAGWCAPCKAIAPVLEDLSSEYAGKVKIVKVDVTSCEETAVKYNIRNIPALLLFKNGEVVAQQIGAVPRSKLVSFIDENV 5E4W Chain:A ((3-106)) -----------------IIHLTDDSFDTDVLKADGAILVDFWAEWCGPCKMIAPILDEIADEYQGKLTVAKLNIDQNPGTAPKYGIRGIPTLLLFKNGEVAATKVGALSKGQLKEFLDANL

General information: TITO was launched using: RESULT: Template: 5E4W.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain A - contact count / total energy / energy per contact / energy per residue : 444 -80749 -181.87 -776.43 target 2D structure prediction score : 0.77 Monomeric hydrophicity matching model chain A : 0.82 3D Compatibility (PKB) : -181.87 2D Compatibility (Sec. Struct. Predict.) : 0.77 1D Compatibility (Hydrophobicity) : 0.82 QMean score : 0.775

(partial model without unconserved sides chains): PDB file : Tito_5E4W.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5E4W-query.scw PDB file : Tito_Scwrl_5E4W.pdb: