Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MRHALITAGSKGLGRKVTETLLAKGYSVTVNYRQDEEAVSRLKEACPDCLDRLQFVKGDVTKKEDLLRIAEAALNRFGRIDFLINNAGPYIFERKKLADYTDDEWYGMLEGNLSAVFHLFKAVIPIMRKQQFGRIITYGFQGAAHAPGWLHRSAFGAAKVGLASLTKTIAIEEAEFGITANMVCPGDIVGDMKEASIEE--A----RMRIGKEKTPIGRSGTGEDIARIIAFLCEENSDLVTGTVIEATGGLNVINKNQTT 2AG5 Chain:A ((6-245)) GKVIILTAAAQGIGQAAALAFAREGAKVIATDINESKLQELEK------YPGIQTRVLDVTKKKQIDQFANE----VERLDVLFNVAGFVHHG--TVLDCEEKDWDFSMNLNVRSMYLMIKAFLPKMLAQKSGNIINMSSVASSV-KGVVNRCVYSTTKAAVIGLTKSVAADFIQQGIRCNCVCPGTVDTPSLQERIQARGNPEEARNDFLKR-QKTGRFATAEEIAMLCVYLASDESAYVTGNPVIIDGGWSL-------

General information: TITO was launched using: RESULT: Template: 2AG5.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 : 1238 -123471 -99.73 -527.65 target 2D structure prediction score : 0.59 Monomeric hydrophicity matching model chain A : 0.75 3D Compatibility (PKB) : -99.73 2D Compatibility (Sec. Struct. Predict.) : 0.59 1D Compatibility (Hydrophobicity) : 0.75 QMean score : 0.533

(partial model without unconserved sides chains): PDB file : Tito_2AG5.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2AG5-query.scw PDB file : Tito_Scwrl_2AG5.pdb: