Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MHRQVLILASSQSLFQTVSVMVMTIGGLAGANI-ANTPTLSTLPIASMFLGTALMMFPASILMAHIGRRNGFLFGAFLGVLGGIIASIG------------IFYSSLSLLALGTLCVGAYQSFAQ-----F-YRFAASEVANDAFRSRAISWVLAGGIVAALIGPTLARFGGPLFQHLEYIG---SFLIISIISLVAMGILSS-LHIADT-VEQK---SDFTAGRPWQQIVFQPTYLVALFGAITGYGIMILGMTATPIAMRH-SHHELGSITTVIQLHVLGMFLPSFFTGNLIARFGVLKIMFAGLLLFA------CYIGFALSGIQFTSFAISLILLGVGWNFLFIGSTSLLTGTYSVAEKAKAQAINDMTVFVVGLICSFSAGALLDLFGWKAMNIALIPWLVIAAASLFWLSQKREKQFV 5AYO Chain:A ((8-421)) --RIETQLLLGRLLTRSGDQAWDFVVPFALLVIFPGKLQVAAFYYLIVKIGTFLLTPSSGKWIDTHPRIQVVKWGVWLQFFAILAGMVFFGMLDGLVRAGGRESWLLSVLFIALALSGVMASLGSQITDISVGNDLAPSLVAPEKLTHFNSWLRRIDLATEVGAPILAGALFAF---HPEQLPLAGLFLIGLWNLVSFVPEYFLLRNVIQRSGLKIKVLT-----------SDPIFWLILSYALLWLSVLSPHGVLLAAYLKDEMRLPETEIGLFRGLGAVFGLISTVSFPYLVRRLGLISSSRWHLGFQGVTLGIAVTAFAMGSTASVYVFLGCILLSRVGLYGFSNGEFELRQRLIPEGRRGELNSLSSLTTTSATLILFSAGSLLPQTEDFKYLVYVSLAAVLLANVVFI-----------

General information: TITO was launched using: RESULT: Template: 5AYO.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 : 1457 -190742 -130.91 -525.46 target 2D structure prediction score : 0.60 Monomeric hydrophicity matching model chain A : 0.65 3D Compatibility (PKB) : -130.91 2D Compatibility (Sec. Struct. Predict.) : 0.60 1D Compatibility (Hydrophobicity) : 0.65 QMean score : 0.262

(partial model without unconserved sides chains): PDB file : Tito_5AYO.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5AYO-query.scw PDB file : Tito_Scwrl_5AYO.pdb: