Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MERFDVERMIQMKIFVVGANGQIGRHLIKDLAPSSHEIFAGVRDVASQTLV------KKENVSYVSFDLTWSVEKMTEAFKGIDVLIFAAG-SQGK----NLLQVDLDGAIKTVIAAENAHVSRYLMVSAVYADEPAKWPESMTDYYITKHYADEWLKRTNLD-FVILQPVTLTNDEEVTSIQLTKPNEKASKTITRSTVAAVLAALVEETDISRTTLVLSEGSKELNTAFQEWAKEE 2BKA Chain:A ((15-181)) -------RMQNKSVFILGASGETGRVLLKEILEQG--LFSKVTLIGRRKLTFDEEAYKNVNQEVVDFE---KLDDYASAFQGHDVGFCCLGTTRGKAGAEGFVRVDRDYVLKSAELAKAGGCKHFNLLSSKGADKSSNFL-----YLQVKGEVEAKVEELKFDRYSVFRPGVLLCDR-----QESRPGE-------------------------------------------------

General information: TITO was launched using: RESULT: Template: 2BKA.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 : 719 -15463 -21.51 -99.76 target 2D structure prediction score : 0.57 Monomeric hydrophicity matching model chain A : 0.69 3D Compatibility (PKB) : -21.51 2D Compatibility (Sec. Struct. Predict.) : 0.57 1D Compatibility (Hydrophobicity) : 0.69 QMean score : 0.526

(partial model without unconserved sides chains): PDB file : Tito_2BKA.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2BKA-query.scw PDB file : Tito_Scwrl_2BKA.pdb: