Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MAG------YLNNIALNLEIVLKNKADSPEVSETLVTRICENLL-LSKEVSFLKADGSVENFKLSDMEYEITNTEELPE------ 2HEQ Chain:A ((1-84)) MAGDPLPKYWSYPVGLAVEINNNARYGCPHHVGR-KGKIIEHLHSATYDYAVSDETGDITYFKEHELTPLKGGLAYVLEHHHHHH

General information: TITO was launched using: RESULT: Template: 2HEQ.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 : 260 5457 20.99 76.86 target 2D structure prediction score : 0.55 Monomeric hydrophicity matching model chain A : 0.67 3D Compatibility (PKB) : 20.99 2D Compatibility (Sec. Struct. Predict.) : 0.55 1D Compatibility (Hydrophobicity) : 0.67 QMean score : 0.065

(partial model without unconserved sides chains): PDB file : Tito_2HEQ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2HEQ-query.scw PDB file : Tito_Scwrl_2HEQ.pdb: