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:E ((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 E - contact count / total energy / energy per contact / energy per residue : 978 -38045 -38.90 -176.13 target 2D structure prediction score : 0.66 Monomeric hydrophicity matching model chain E : 0.58 3D Compatibility (PKB) : -38.90 2D Compatibility (Sec. Struct. Predict.) : 0.66 1D Compatibility (Hydrophobicity) : 0.58 QMean score : 0.580

(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: