Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MPPKRPQALEKLHVAPHDKAVSITDTMTLVVKGEGGVEMRVKQTGIAQGPGSSSASGQPKSDAVMNKIKFEDLRIGSELGKGSQGKVRVAQHKITGEKYAMKYIAFDGDSDDMRSALEAELRQVAAVKHHN---IVSSYEAFFRDGRLYVVLEYMDCGTMNNLIDRHPEGFSEDMLAYIARELFKGLEFLHHLNMIHRDIKPANVLANTKGEIKISDFGVAKTLSGGDLQTLSAQGSVPYMSPERIQSKPYSFNSDIWSAGLTIAECAFREYPFASLKP-KVFELCQAIASGTAKINWDDRETKFSDEFKEFIELCL--RPEATRPSATEMLSHSLIQKASNVNPLEAGRWMSPKK 5DH3 Chain:A ((34-289)) -----------------------------------------------------------------------------KLGEGSYGSVFKAIHKESGQVVAIKQVPVESD-------LQEIIKEISIMQQCDSPYVVKYYGSYFKNTDLWIVMEYCGAGSVSDIIRLRNKTLIEDEIATILKSTLKGLEYLHFMRKIHRDIKAGNILLNTEGHAKLADFGVAGQLTDTMAKRNTVIGTPFWMAPEVIQEIGYNCVADIWSLGITSIEMAEGKPPYADIHPMRAIFMIPTNPPPTFR-----KPELWSDDFTDFVKKCLVKNPE-QRATATQLLQHPFIKNAKPVSIL----------

General information: TITO was launched using: RESULT: Template: 5DH3.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 : 1308 -23961 -18.32 -95.84 target 2D structure prediction score : 0.68 Monomeric hydrophicity matching model chain A : 0.73 3D Compatibility (PKB) : -18.32 2D Compatibility (Sec. Struct. Predict.) : 0.68 1D Compatibility (Hydrophobicity) : 0.73 QMean score : 0.553

(partial model without unconserved sides chains): PDB file : Tito_5DH3.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5DH3-query.scw PDB file : Tito_Scwrl_5DH3.pdb: