Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MVILEANKIRKSYGNKLNKQEVLKGIDIHIEKGEFVSIMGASGSGKTTLLNVLSSIDQVSHGTIHINGNDMTAMKEKQLAEFRKQHLGFIFQDYNLLDTLTVKENILLPLSITKLSKKEANRKFEEVAKELG----IYELRDKYPNEI-------SGGQKQRTSAGRAFIHDPSIIFADEPTGALDSKSASDLLNKLSQLNQKRNATIIMVTHDPVAASYCGRVIFIKDGQMYTQLNKGGQDRQTFFQDIMKTQGVLGGVQHEH 2HYD Chain:B ((352-553)) -----------------NEAPILKDINLSIEKGETVAFVGMSGGGKSTLINLIPRFYDVTSGQILIDGHN---IKDFLTGSLRNQ-IGLVQQD-NILFSDTVKENILLG------RPTATDEEVVEAAKMANAHDFIMNLPQGYDTEVGERGVKLSGGQKQRLSIARIFLNNPPILILDEATSALDLESESIIQEALDVLSKDR--TTLIVAHRLSTITHADKIVVIENGHI--------------------------------

General information: TITO was launched using: RESULT: Template: 2HYD.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 : 881 -31982 -36.30 -167.44 target 2D structure prediction score : 0.58 Monomeric hydrophicity matching model chain B : 0.76 3D Compatibility (PKB) : -36.30 2D Compatibility (Sec. Struct. Predict.) : 0.58 1D Compatibility (Hydrophobicity) : 0.76 QMean score : 0.471

(partial model without unconserved sides chains): PDB file : Tito_2HYD.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2HYD-query.scw PDB file : Tito_Scwrl_2HYD.pdb: