Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKLEKLRNLFGQLGIDGMLITSNTNVRYMTGFTGSAGLAVISGDKAAFITDFRYTEQAKVQVKGFEIIEHGGSLIQTTADTVESFGIKRLGFEQNSMTYGTYASYSAVISDAELVPVAESVEKLRLIKSSEEIKILEEAAKIADDAFRHILTFMKPGISEIAVANELEFYMRSQGADSSSFDMIVASGLRSSLPHGVASDKLIESGDLVTLDFGAYYKGYCSDITRTVAV-GQPSDQLKEIYQVVFDAQALGVAHIKPG-----MTGKEADALTR-------------DHIAAKGYGDYFGHSTGHGLGMEVHESPGLSVRSSAILEPGMVVTVEPGIYI------PETG---GVRIEDDIVITENGNRTITHS----PKELIIL 2BH3 Chain:A ((152-430)) -------------------------------------------------------------------------------------------------------SRQNLTAPATMIDWRPVVHEMRLFKSPEEIAVLRRAGEITAMAHTRAMEKCRPGMFEYHLEGEIHHEFNRHGARYPSYNTIVGSGENGCILHYTENECEMRDGDLVLIDAGCEYKGYAGDITRTFPVNGKFTQAQREIYDIVLESLETSLRLYRPGTSILEVTGEVVRIMVSGLVKLGILKGDVDELIAQNAHRPFFMHGLSHWLGLDVHDVGVYGQDRSRILEPGMVLTVEPGLYIAPDAEVPEQYRGIGIRIEDDIVITETGNENLTASVVKKPEEI---

General information: TITO was launched using: RESULT: Template: 2BH3.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 : 1147 -25992 -22.66 -105.23 target 2D structure prediction score : 0.67 Monomeric hydrophicity matching model chain A : 0.69 3D Compatibility (PKB) : -22.66 2D Compatibility (Sec. Struct. Predict.) : 0.67 1D Compatibility (Hydrophobicity) : 0.69 QMean score : 0.481

(partial model without unconserved sides chains): PDB file : Tito_2BH3.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2BH3-query.scw PDB file : Tito_Scwrl_2BH3.pdb: