Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNKGGQMKKVMFAGLSLLSLVVLMACGEEETKKTQAAQQPKQQTTVQQISVGKDVPDFTLQSMDGKEVKLSDFKGKKVYLKFWASWCGPCKKSMPELMELAAKPD-RDFEILTVIAPGIQ-GEKTVEQFPQWFQEQGYKDIPVLYDTKATTFQAYQIRSIPTEYLIDSQGKIGKIQFGAISNADAEAAFKEMN 4HQS Chain:A ((55-189)) -------------------------------------------------------ADFELMGVDGKTYRLSDYKGKKVYLKFWASWCSICLASLPDTDEIAKEAGDDYVVLTVVSP--GHKGEQSEADFKNWYKGLDYKNLPVLVDPSGKLLETYGVRSYPTQAFIDKEGKLVKTHPGFMEKDAILQTLKEL-

General information: TITO was launched using: RESULT: Template: 4HQS.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 : 637 -14626 -22.96 -109.97 target 2D structure prediction score : 0.62 Monomeric hydrophicity matching model chain A : 0.74 3D Compatibility (PKB) : -22.96 2D Compatibility (Sec. Struct. Predict.) : 0.62 1D Compatibility (Hydrophobicity) : 0.74 QMean score : 0.653

(partial model without unconserved sides chains): PDB file : Tito_4HQS.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4HQS-query.scw PDB file : Tito_Scwrl_4HQS.pdb: