Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence WYAGAMERLQAETELINRVNSTYLVRHRTKESGEYAISIKYNNEAKHIKILTRDGFFHIAENRKFKSLMELVEYY 3US4 Chain:A ((7-81)) WFHGKISGQEAVQQLQPPEDGLFLVRESARHPGDYVLCVSFGRDVIHYRVLHRDGHLTIDEAVFFCNLMDMVEHY

General information: TITO was launched using: RESULT: Template: 3US4.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 : 274 -48355 -176.48 -644.73 target 2D structure prediction score : 0.71 Monomeric hydrophicity matching model chain A : 0.75 3D Compatibility (PKB) : -176.48 2D Compatibility (Sec. Struct. Predict.) : 0.71 1D Compatibility (Hydrophobicity) : 0.75 QMean score : 0.604

(partial model without unconserved sides chains): PDB file : Tito_3US4.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3US4-query.scw PDB file : Tito_Scwrl_3US4.pdb: