Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKLPQADFQHRRNRLAEKMGPNSIAIIATREEMYRNRDADYKFRADSSFFYLTGFAEPEAVAVIETFDDVTDYSYSLFCRERNREMEIWNGYRAGIDGAIEENEADEAYAIDLLDEEIIEKLLNKERLYYRIGHNAAFDARVSQWIKKANAEHRHE-AAPAQLVQLDRIVDEMRLIKSPQEIELMQIASTISAKAHTRAMQTVRPGMMEYALEAELNYIFGQNGC-VPSYNSIVGGGANACILHYVENNQALKDGDLVLIDAACEYEFYASDITRTFPVNGKFSPEQKALYEVVLASQYAAIDAVRIGNSYREPHEVAVKILTEGLVDLGLLKGDVSELIETEAYRQFYMHGTGHWLGMDVHDVGSYKKDDDWRQYEEGMVVTVEPGLYIAPDDETVDKKWRGIGIRIEDDVVATSKGPRVLTADVVKDIADIEHLMAQAKA 2BH3 Chain:A ((2-438)) -EISRQEFQRRRQALVEQMQPGSAALIFAAPEVTRSADSEYPYRQNSDFWYFTGFNEPEAVLVLIKSDDTHNHSV-LFNRVRDLTAEIWFGRRLGQDAAPEKLGVDRALAFSEINQQLYQLLNGLDVVYHAQGEYAYADVIVNSALEKLRKGSRQNLTAPATMIDWRPVVHEMRLFKSPEEIAVLRRAGEITAMAHTRAMEKCRPGMFEYHLEGEIHHEFNRHGARYPSYNTIVGSGENGCILHYTENECEMRDGDLVLIDAGCEYKGYAGDITRTFPVNGKFTQAQREIYDIVLESLETSLRLYRPGTSILEVTGEVVRIMVSGLVKLGILKGDVDELIAQNAHRPFFMHGLSHWLGLDVHDVGVYGQDRS-RILEPGMVLTVEPGLYIAPDAE-VPEQYRGIGIRIEDDIVITETGNENLTASVVKKPEEIEALMVAAR-

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 : 2405 -46390 -19.29 -106.64 target 2D structure prediction score : 0.61 Monomeric hydrophicity matching model chain A : 0.83 3D Compatibility (PKB) : -19.29 2D Compatibility (Sec. Struct. Predict.) : 0.61 1D Compatibility (Hydrophobicity) : 0.83 QMean score : 0.545

(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: