Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSGEQKSYLENQLEAVAEKTDAGYTFTFQREKIKLLDGLEANVIKDINPFF-H-KEIDVTDDEVIITIQPPSSYKAFRFM---KAKDKKSKWQFAYQLVQAVQQ-HNLSRLNLIVAPENIVFDKGLTPYFLHYGVKESIPPYERDEERVWQELKAAAALAVDGAFAFEDYLKFNETLTFSAEAKAILDAESYDDLLELIQTHIDELEAKAKTYIHIPRKKWNIQRYIGLGLIVLLVPALIYSMYALFFAQPKHQAIVDSNRAFLNKQYSEVISTLSKYDAESLPESVQYQLATSYVEVENLGSAKTKNIENNLVTLQSDPQHFLYWIDYGRGEYKEAISIGRKLEYNDYIYFALAKYKQQLLSEDTNDEDIQKELDSVNSELEKAQKERQENKQSNSETSLVDTSEEQTQTDEEKQAEEKAAEEKAAAEEKAKKEEQKEKEDEKKETEKKDEKKDDK 4RED Chain:A ((74-180)) ----------------------------------------------RHPHIIKLYQVISTPSDIFMVMEYVSGGELFDYICKNGRLDEKESRRLFQQILSGVDYCHRHMVVHRDLKPENVLLDAHMNAKIADFGLSNMMS-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4RED.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 : 271 -2534 -9.35 -28.80 target 2D structure prediction score : 0.59 Monomeric hydrophicity matching model chain A : 0.61 3D Compatibility (PKB) : -9.35 2D Compatibility (Sec. Struct. Predict.) : 0.59 1D Compatibility (Hydrophobicity) : 0.61 QMean score : 0.433

(partial model without unconserved sides chains): PDB file : Tito_4RED.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4RED-query.scw PDB file : Tito_Scwrl_4RED.pdb: