Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNKDKLRYAILKEIFEGN----TPLSENDIGVTEDQFDDAVNFLKREGYIIGVHYSDDRPHLYKLGPELTEKGENYLKENGTWSKAYKTIKEIKDWIK 4RGU Chain:A ((46-118)) ----LPQFTALSVLAAKPNLSNAKL-AERSFIKPQSANKILQDLLANGWIEKAPDPTH--R---ILVTVTPSGLDKLNQCN-----------------

General information: TITO was launched using: RESULT: Template: 4RGU.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 : 215 -26576 -123.61 -396.65 target 2D structure prediction score : 0.73 Monomeric hydrophicity matching model chain A : 0.64 3D Compatibility (PKB) : -123.61 2D Compatibility (Sec. Struct. Predict.) : 0.73 1D Compatibility (Hydrophobicity) : 0.64 QMean score : 0.723

(partial model without unconserved sides chains): PDB file : Tito_4RGU.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4RGU-query.scw PDB file : Tito_Scwrl_4RGU.pdb: