Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNKLLKKEILCYLENQTAFFDLEHMNEVFTAQRLADHFGVKRNTVSHYLNQLNDEQLLVKINSRPVIYFHKEAFEKQFFKLRTNFYFSIDDLKEEQPFFAQPKDLFSFMIGYDASLKESIEQIKTALYYPDGGLPLLITGESGTGKSYLVNLVYQYCLLHDLLEDSAPFITFNCAQYADNPELLTSNLFGHVKGAYTGAEENKKGAFEAADGGILFLDEVHRLTPEGQEKLFTYLDQGVIYRMGEPNLSRR---IKTRLFFATTEEIT-----SHFLTTFIRRIP-IRIELPALNQRSRNERLELIYSFFLEEQRKMGSPL-SVSGPALSLLTSQKLSGNIGELKNIVKVSAAKAYAEQREQPEIHVTIHHLQKELLAQPITKNTAQQGIYITQDQTLEQLMEKQQPEQQRIVKSFEQILIDFKKNNCLLYSCEGKLKQEVIQLFDFLLFETSRQEKHELLVYWTQSIRETFRQMETAYQIKFDGNSVYALSYYLYQRSTIKWLPEEHDIIQLIKELEQQVSQSYPSSYHYVQRILELSKIKLDIEDTSMDRILLTIYLKKAKWSKEKRLPKAMIAAHGYATASSMANVVNRLLQEDLFESFDMPLDVTPQQIASEILDYCENSDVSNGLIILVDMGSLKEIHQFFKKQLSVPLLILNNVTTPLAITVGECLQKNVSLEEIAEETVRQIQPEWRLLYPEENKPKALITTCFTGIGTAVHLSELLEKSLPTACQLKIIPYEYQQLKDKKNSDPLFSIYEVVGMIGTTDPDITNIDYLSLEDLISGEKMSVLAEWLDTTMNASEKEIFNQRIIRNFSLEKVLDSVTILDTEKVMGEIDHFMRELEVQLNRSISNPKKLALYVHVSCLIERLIRQMPIETYQGLEKWKQCQKEGLSAIKSAFSVIEEHYSVMIPNSEIAYIYDILSEDTEFLSIEEEF 3M0E Chain:C ((17-242)) -----------------------------------------------------------------------------------------------EYVFESPK------------MKEILEKIKK---ISCAECPVLITGESGVGKEVVARLIHK---LSD--RSKEPFVALNVASIPRD--IFEAELFGYEKGAFTGAVSSKEGFFELADGGTLFLDAIGELSLEAQAKLLRVIESGKFYRLG----GRKEIEVNVRILAATNRNIKELVKEGKFREDLYYRLGVIEIEIPPLRER-KEDIIPLANHFLKKFSRKYAKEVEGFTKSAQELLLSYPWYGNVRELKNVI-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3M0E.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain C - contact count / total energy / energy per contact / energy per residue : 961 -38535 -40.10 -178.40 target 2D structure prediction score : 0.67 Monomeric hydrophicity matching model chain C : 0.58 3D Compatibility (PKB) : -40.10 2D Compatibility (Sec. Struct. Predict.) : 0.67 1D Compatibility (Hydrophobicity) : 0.58 QMean score : 0.594

(partial model without unconserved sides chains): PDB file : Tito_3M0E.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3M0E-query.scw PDB file : Tito_Scwrl_3M0E.pdb: