Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MAQLVPLVELPSGKKIYSVRGQQFEVDRQYDLVKVVGFGACGTVCSAVANGS-GERVAIKRLSRVFG-DLREGKRILREMEIMTSLKHNNLIRLHHFMRPQSKETFEDIYLVMDLYDTDLNRIIRSRQKLTDEHLQYFMIQAFRGLHYLHSAKVMHRDLKPSNLLVNADCALAICDFGLARDDQVMSSSDLTQYVVTRWYRPPEVLGMGSNQYTSAVDVWSLGLIFAELMLGRTLLPGTDYIGQLVMIVNLLGSPSIDDME-FLSSEAKAFILSQPRRPALSFRDLFPMATEEATDLLSKLLVFHPARRLTAKQVMEHPYFSKYRDAAEEADAPDPFVWNHSHIETKEQLREDLWRVVEAHSQSNG 4QNY Chain:B ((17-347)) ------------------------RLDDRYLLERIIGAGSYGVVIRARDTKSDNRLVAMKRVNKEIFEEVILAKRILREIKLLAHFNDDNIIGLRNILTPEDPENFDHFYIVMDIMETDLKQVLRSGQELTEAHIQFFIYQALRALHIIHSAGVIHRDITPANILVNTNCDLKICDFGLAKEENDQ---YMTDYVTMRWYRAPELVM-EDKDYSAQIDVWGIGCILGELLGSRPLFQGKDRVNQLDKIVDVIGTPSEEDINSVGSSAAQKYLKKKSHRPQADWRQRYPTASPEALDLLRHMLVFNPKRRITVLQAMRHPFLEQLHDDADD---YALFRFDE---KTIVDVKRAIYEE---------

General information: TITO was launched using: RESULT: Template: 4QNY.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 1600 -3165 -1.98 -9.89 target 2D structure prediction score : 0.60 Monomeric hydrophicity matching model chain B : 0.81 3D Compatibility (PKB) : -1.98 2D Compatibility (Sec. Struct. Predict.) : 0.60 1D Compatibility (Hydrophobicity) : 0.81 QMean score : 0.562

(partial model without unconserved sides chains): PDB file : Tito_4QNY.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4QNY-query.scw PDB file : Tito_Scwrl_4QNY.pdb: