Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MLDNKTIEIIKSTVPVLQQHGETITGRFYDRMFQDHPELLNIFNQTNQKKKTQRTALANAVIAAAANIDQLGNIIPVVKQIGHKHRSIGIKPEHYPIVGKYLLIAIKDVLGDAATPDIMQAWEKAYGVIADAFIGIEKDMYEQAEEQAGGWKEYKPFVIAKKERESKEITSFYLKPEDSKPLPEFQAGQYISIKVRIPDSEYTHIRQYSLSDMPGKDYYRISVKKD-------GVVSSYLHDGLQEGDSIEISAPAGDFVLDHASQKDLVLISAGVGITPMISMLKTSVSKQPERQILFIHAAKNSEYHALRHEVEEAAK-HSAVKTAFVYREPTEEDRAGDLHFHEGQIDQQFLKELIANTDADYYICGSPSFITAMHKLVSELGSAPESIHYELFGPQLSLAQSV 4EH1 Chain:A ((2-237)) --------------------------------------------------------------------------------------------------------------------------------------------------------DGRTFVVREKQVESAYVTSFVLVPADGGAVLDYQPGQYIGIEVTPEGSDYREIRQYSLSHASNGREYRISVKREGVGSDNPGLVSHYLHNNVKVGDSVKLYAPAGDFFYVE-RERPVVLISAGVGATPMQAILHTLAKQN-KSGVTYLYACNSAKEHTFAQETAQLIAQQGWM-QQVWYRDESA------DDVLQGEMQLAEL--ILPIEDGDFYLCGPIGFMQYVVKQLLALGVDKARIHYEVFGP--------

General information: TITO was launched using: RESULT: Template: 4EH1.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 : 1263 -152931 -121.09 -670.75 target 2D structure prediction score : 0.75 Monomeric hydrophicity matching model chain A : 0.70 3D Compatibility (PKB) : -121.09 2D Compatibility (Sec. Struct. Predict.) : 0.75 1D Compatibility (Hydrophobicity) : 0.70 QMean score : 0.497

(partial model without unconserved sides chains): PDB file : Tito_4EH1.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4EH1-query.scw PDB file : Tito_Scwrl_4EH1.pdb: