Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MAKQKRKVPEVTEKKNKKLKKASA---EGPLL-GPEAAPSGEGAGSKGEA-VLRPGLDAEPELSPEEQRVLERKLKKERKKEERQ-RLREAGLVAQHPPARRSGAELALDYLCRWAQKHKNWRFQKTRQTWLLLHMYDSDKVPDEHFSTLLAYLEGLQGRAR-ELTVQKAEALMRELDEEGSD-PPLPGRAQRIRQVLQLLS 2BU3 Chain:A ((40-250)) --LSPNLIGFNSNEGEKLLLTSRSREDFFPLSMQFVTQVNQAYCGVASIIMVLNSLGINAYRVFTQDNFFSTKAVIAPEVVARQGMTLDELGRLIASYGVKVKVNHASDTNIEDFRKQVAENLKQDGNFVIVNYLRKEIGQERGGHISPLAAYNEQTDRFLIMDVSRYKYPPVWVKTTDLWKAMNTVDSVSQKTRGFVFVSK

General information: TITO was launched using: RESULT: Template: 2BU3.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 : 1007 64281 63.83 334.80 target 2D structure prediction score : 0.47 Monomeric hydrophicity matching model chain A : 0.61 3D Compatibility (PKB) : 63.83 2D Compatibility (Sec. Struct. Predict.) : 0.47 1D Compatibility (Hydrophobicity) : 0.61 QMean score : 0.099

(partial model without unconserved sides chains): PDB file : Tito_2BU3.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2bu3-query.scw PDB file : Tito_Scwrl_2BU3.pdb: