Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence METFKSILHEAQRIVVLTGAGMSTESGIPDFRSAG-GIWTE----DASRMEAM-SLDYFLSYPRLFWPKFKELFQMKMSGSFEPNEGHLLLAELEKQGKQVDIFTQNIDGLHKKAG--SRHVYELHGSIQTAACPACGARYD----LPHLLEREVPECTAAGNNGDICGTVLKTDVVLFGDAV-MHFDTLYEKLDQADLLLVIGTSLEVAPARFVPEDASLIPGMKKVIINLEPTYCDSLFDMVIHQKIGEFARSLGMKK 4BV3 Chain:A ((23-211)) -----------QRVVVMVGAGISTPSGIPDFRSPGSGLYSNLQQYDLPYPEAIFELPFFFHNPKPFFTLAKELY----PGNYKPNVTHYFLRLLHDKGLLLRLYTQNIDGLERVSGIPASKLVEAHGTFASATCTVCQRPFPGEDIRADVMADRVPRCP-------VCTGVVKPDIVFFGEPLPQRFLLHVVDFPMADLLLILGTSLEVEP-------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4BV3.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 : 782 -72929 -93.26 -414.37 target 2D structure prediction score : 0.67 Monomeric hydrophicity matching model chain A : 0.74 3D Compatibility (PKB) : -93.26 2D Compatibility (Sec. Struct. Predict.) : 0.67 1D Compatibility (Hydrophobicity) : 0.74 QMean score : 0.545

(partial model without unconserved sides chains): PDB file : Tito_4BV3.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4BV3-query.scw PDB file : Tito_Scwrl_4BV3.pdb: