Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MAKNKKLFEYLSQHAETISSTWYETIEETDPNSIYASTDPVVIHNLKSQNLAFNYKINRIFIDDEDVYLPILKEWAFEVTQDQEHLKTPIHYIIREFVRVRDLYVSYVKEFVHLNQNTVKSEEAEDLYHALIKAFDLVIHIFIEEMYKNTSLQLQAQKDMITELSAPVIVLFHSVGLLPLIGDIDTVRAKLIMENTLHQCAKKKVTQLYIDLSGVAVIDTMVAHQLFSLIEALRLIGVSSTLSGIRPEIAQTAVQLGLSFEGISLRSTLASAIASDLKLKKV 2VY9 Chain:A ((32-102)) -------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------EELLHNITGVAGKGLVIDISALEVVDSFVTRVLIEISRLAELLGLPFVLTGIKPAVAITLTEMGLDLRGMA------------------

General information: TITO was launched using: RESULT: Template: 2VY9.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 : 213 -68478 -321.49 -964.47 target 2D structure prediction score : 0.72 Monomeric hydrophicity matching model chain A : 0.57 3D Compatibility (PKB) : -321.49 2D Compatibility (Sec. Struct. Predict.) : 0.72 1D Compatibility (Hydrophobicity) : 0.57 QMean score : 0.619

(partial model without unconserved sides chains): PDB file : Tito_2VY9.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2VY9-query.scw PDB file : Tito_Scwrl_2VY9.pdb: