Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNKDKLRYAILKEIFEGN---TPLSENDIGVTEDQFDDAVNFLKREGYIIGVHYSDDRPHLYKLGPELTEKGENYLKENGTWSKAYKTIKEIKDWIK 3TGN Chain:A ((39-109)) -----TQEHILMLLSEESLTNSEL-ARRLNVSQAAVTKAIKSLVKEGMLET-------------FYQLTDLARPIAEEHH-----------------

General information: TITO was launched using: RESULT: Template: 3TGN.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 : 197 -29863 -151.59 -514.88 target 2D structure prediction score : 0.69 Monomeric hydrophicity matching model chain A : 0.68 3D Compatibility (PKB) : -151.59 2D Compatibility (Sec. Struct. Predict.) : 0.69 1D Compatibility (Hydrophobicity) : 0.68 QMean score : 0.736

(partial model without unconserved sides chains): PDB file : Tito_3TGN.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3TGN-query.scw PDB file : Tito_Scwrl_3TGN.pdb: