Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MQTLRASKCGLSTAQLPSSILDVIDSLTKAGYEAYIVGGGVRDLMLGLNPKDFDAVTNATPSQIKEVFGRR-CR---IIGRRFELAHVYSGRELIEVATFRAPPKKAVTSASGMILRDNNWGTIEQDFARRDFSINTLYYQPRKGIVLDFCKAIDDVKSKTLRLLGDPVQRFEEDPVRMLRTLRFAAKLN---FKIDPAILDIFDVEMTQLLRDVSPHRLYDESQKLFTMGHLARVLPMLIAFGVWKQLFADIRPDLTPFIQRAAKNTDQRIQVGKTINPAFFYAVLLWQPFLERCDFYLSKGVVPAEARAQAGLDVLKRQATRTVIPRFAETFIREVWEMQTRLLNPKPQQIEALASHARFRAGFDFLLLREKSGDDTTQGMGSWWEAYQEMSNDEKEAAISQYNRQKAKSRRKVAAEPVESNKVDTEIEPLVDVPEPRSRRGKKERARQEQSIDRFIEKSSAAQTNVMSDHPILKRKRVQRDLSQVIFGPTQ 4X4W Chain:A ((13-313)) -------------SLFTEGLKSLTELFVKENHELRIAGGAVRDLLNGVKPQDIDFATTATPTQMKEMFQSAGIRMIN------GTITARLHEENFEITTLRIDVTT-----DG--AEVEFTTDWQKDAERRDLTINSMFLGFD-GTLFDYFNGYEDLKNKKVRFVGHAKQRIQEDYLRILRYFRFYGRIVDKPGDHDPETLEAI-AENAKGLAGISGERIWVELKKILVGNHVNHLIHLIYDLDVAPYIGLPANASLE-----EFDKVSKNV-DGFSPKPVTLLASLFKVQDD------------------------VTKLDLRLKIAKEEKNLGLFIVKNRKDLIKA--------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4X4W.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 : 1324 -20998 -15.86 -74.20 target 2D structure prediction score : 0.66 Monomeric hydrophicity matching model chain A : 0.68 3D Compatibility (PKB) : -15.86 2D Compatibility (Sec. Struct. Predict.) : 0.66 1D Compatibility (Hydrophobicity) : 0.68 QMean score : 0.476

(partial model without unconserved sides chains): PDB file : Tito_4X4W.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4X4W-query.scw PDB file : Tito_Scwrl_4X4W.pdb: