Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKKNSLYIISSLFFACVLFVYATATNFQNSTSARQVKTETYTNTVTNVPIDIRYNSDKYFISGFASEVSVVLTGANR--LSLASEMQES--TRKFKVTADLTDAGVGTIEVPLSIEDLPNGLTAVATPQKITVKIGKKAQKDK-VKIVPEIDPS-QIDSRVQIENVMVSDKEVSITSDQETLDRIDKIIAVLPTSERITGNYSGSVPLQAIDRNGVVLPAVITPFDTIMKVTTKPVAPSSSTSNSSTSSSSETSSSTKATSSKTN 4QDY Chain:A ((3-198)) ----------------------------------QVKTETYTNTVTNVPIDIRYNSDKYFISGFASEVSVVLTGANRLSLAS----EMQESTRKFKVTADLTDAGVGTIEVPLSIEDLPNGLTAVATPQKITVKIGKKAQK-DKVKIVPEI-DPSQIDSRVQIENVMVSDKEVSITSDQETLDRIDKIIAVLPTSERITGNYSGSVPLQAIDRNGVVLPAVITPFDTIMKVTTKPV-----------------------------

General information: TITO was launched using: RESULT: Template: 4QDY.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 : 824 16935 20.55 89.13 target 2D structure prediction score : 0.49 Monomeric hydrophicity matching model chain A : 0.85 3D Compatibility (PKB) : 20.55 2D Compatibility (Sec. Struct. Predict.) : 0.49 1D Compatibility (Hydrophobicity) : 0.85 QMean score : 0.714

(partial model without unconserved sides chains): PDB file : Tito_4QDY.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4QDY-query.scw PDB file : Tito_Scwrl_4QDY.pdb: