Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MVIALFSKNWSRTMSATIVNTTDDNFQADVLDAETPVLVDFWAGWCAPCKAIAPVLEDLSSEYAGKVKIVKVDVTSCEETAVKYNIRNIPALLLFKNGEVVAQQIGAVPRSKLVSFIDENV 2TRX Chain:B ((1-107)) --------------SDKIIHLTDDSFDTDVLKADGAILVDFWAEWCGPCKMIAPILDEIADEYQGKLTVAKLNIDQNPGTAPKYGIRGIPTLLLFKNGEVAATKVGALSKGQLKEFLDANL

General information: TITO was launched using: RESULT: Template: 2TRX.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 : 472 -82228 -174.21 -768.48 target 2D structure prediction score : 0.76 Monomeric hydrophicity matching model chain B : 0.83 3D Compatibility (PKB) : -174.21 2D Compatibility (Sec. Struct. Predict.) : 0.76 1D Compatibility (Hydrophobicity) : 0.83 QMean score : 0.826

(partial model without unconserved sides chains): PDB file : Tito_2TRX.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2TRX-query.scw PDB file : Tito_Scwrl_2TRX.pdb: