Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MARKEWKVLLIED-----DPMVQEVNKDFITTVKGVTVCATAGNGEEGMKLIKEEQPDLVILDVYMPKKDGIKTLQEIRKQKLEVDVIVVSAAKDKETISLMLQNGAVDYILKPFKLERMRQALEKYKQYKQKIEANDTLSQEQLDAILNIPQQAVQDLPKGLNHFTMNEVTAFLKQQTASLSAEEVAKALGIARVTARRYLDYLEKTGIIKLDVQYGGVGRPVNRYVLKG 3NNN Chain:B ((4-110)) ------RVLVVEDERDLADLITEALKKEMFT----VDVCY---DGEEGMYMALNEPFDVVILDIMLPVHDGWEILKSMRESGVNTPVLMLTALSDVEYRVKGLNMGADDYLPKPFDLREL---------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3NNN.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 486 -80439 -165.51 -788.62 target 2D structure prediction score : 0.73 Monomeric hydrophicity matching model chain B : 0.67 3D Compatibility (PKB) : -165.51 2D Compatibility (Sec. Struct. Predict.) : 0.73 1D Compatibility (Hydrophobicity) : 0.67 QMean score : 0.609

(partial model without unconserved sides chains): PDB file : Tito_3NNN.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3NNN-query.scw PDB file : Tito_Scwrl_3NNN.pdb: