Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MAYQEDLHPLLGKAVEHINRVMVGKRDIAILSLAALLAKGHVLLEDVPGVGKTMMVRALAKSIGADFKRIQFTPDLLPSDVTGVSIYNAKTMEFEYRPGPI-----MGNIVLADEINRTSPKTQSALLEAMEEGSVTV---DGHTMQLADPFFVMATQNPVEYEGTYPLPEAQLDRFLFKLRMGYPSFNEELDVLSLQEKSHPIETLEPVIAKEDFIFLQREVQNVRADDSIKEYIVEIVQKTRQHPSVQLGVSPRGSIALMKAAQAYALLHHRDYVIPDDIQYLAPFTLPHRMMLHPEAKFEGIQAEAIVREIMSAVKVPVQRSAVR 5C3C Chain:A ((26-211)) -----------------KEPYYRAVQDEIELYRAGYEARIPMMLKGPTGCGKSRFVEHMAWKLNRPLITIACNEDMTASDLVGR-------------DGPLTVAARIGAICYLDEIVEARQDTIVVIHPLTDHRRVLPLEKKGELVEAHPDFQIVISYNP-------DLKQSTKQRFGA-LDFDYPKPDIEAEIVSHE----------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 5C3C.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 : 686 -83959 -122.39 -552.36 target 2D structure prediction score : 0.63 Monomeric hydrophicity matching model chain A : 0.61 3D Compatibility (PKB) : -122.39 2D Compatibility (Sec. Struct. Predict.) : 0.63 1D Compatibility (Hydrophobicity) : 0.61 QMean score : 0.446

(partial model without unconserved sides chains): PDB file : Tito_5C3C.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5C3C-query.scw PDB file : Tito_Scwrl_5C3C.pdb: