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---SD--FTAGRPWQQIVFQPTYLVALFGAITGYGIMILGMTATPIAMRH-SHHELGSITTVIQLHVLGMFLPSFFTGNLIARFGVLKIMFAGLLLFA------CYIGFALSGIQFTSFAISLILLGVGWNFLFIGSTSLLTGTYSVAEKAKAQAINDMTVFVVGLICSFSAGALLDLFGWKAMNIALIPWLVIAAASLFWLSQKREKQFV 5AYN Chain:A ((8-421)) --RIETQLLLGRLLTRSGDQAWDFVVPFALLVIFPGKLQVAAFYYLIVKIGTFLLTPSSGKWIDTHPRIQVVKWGVWLQFFAILAGMVFFGMLDGLVRAGGRESWLLSVLFIALALSGVMASLGSQITDISVGNDLAPSLVAPEKLTHFNSWLRRIDLATEVGAPILAGALF----------PLAGLFLIGLWNLVSFVPEYFLLRNVIQRSGLKIKVLTEA----INLRGSFSDPIFWLILSYALLWLSVLSPHGVLLAAYLKDEMRLPETEIGLFRGLGAVFGLISTVSFPYLVRRLGLISSSRWHLGFQGVTLGIAVTAFAMGSTASVYVFLGCILLSRVGLYGFSNGEFELRQRLIPEGRRGELNSLSSLTTTSATLILFSAGSLLPQTEDFKYLVYVSLAAVLLANVVFI-----------

General information: TITO was launched using: RESULT: Template: 5AYN.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 : 1618 -216441 -133.77 -596.25 target 2D structure prediction score : 0.62 Monomeric hydrophicity matching model chain A : 0.65 3D Compatibility (PKB) : -133.77 2D Compatibility (Sec. Struct. Predict.) : 0.62 1D Compatibility (Hydrophobicity) : 0.65 QMean score : 0.234

(partial model without unconserved sides chains): PDB file : Tito_5AYN.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5AYN-query.scw PDB file : Tito_Scwrl_5AYN.pdb: