Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MIPHVSRLLELWRIAAHYRLDTLFPADELPVKAKHALNIIKMHPAAWSSRERKNPLKLKEALEDMGPLAIKLGQLLSTRRDLIPPEILAQLVLLQDQVKPFDGEVAKQRIQDSLKADVNTLFARFDDQPLAAASIAQVHTAALHDGREVVVKVTRPDIRSQILQDFEILAWLGNTLESRLEAARALHLSEIIQDYRQIILNELDLSIEADNTRRMRHYFTGSTMMYVPEVYMDTKDVMVAERITGVPISDTATFDRLGMDRAQLAEKGLTIFFTQVFRDNFFHADMHPGNVFVETINPSNPRFIALDCAIMGELSKHDQMTVARMLLAVMNSNFMQLIQIVHQAGWIPPGTDQDALAREMRRTVGPMVSKPMDQLDFAGILIQVMDIARRFHLEIPPQLMLLLKTLVHVEGLGTDLYPQLDIWKLAKPILTEWVKSNMNPVKNVKELGQQLPDLLLGAQDFPSLIIDSLNGLKNQSAWQDRQLREIQQLRLQMEHQQRRSWMFGSTMLILLTIAIISPWFVSIILIVLSSLLALWRVLK 5MG3 Chain:D ((8-619)) MLNRYP----LWKYVMLIVVIVIGLLYALPNAVQQNINILRNRVN-------------------------QLGVAEPVVQRQGADRIVVELPGIQDTAR------AKEILGATATLEFRLVNTNVDQAAAASGRVPGDSEVKQTREGQPVVLYKRVILTGD-------------------------HITDSTSSQDEYNQPQVNISLDSAGGNIMSNFTKDNIGKPMATLFVEYKD------------------------SGKKDANGRAVLVKQEEVINIANIQSRLGNSFRIT----------------GINNPNEARQLSLLLRAGAL---IAPIQIVEERT-IGPTLGMQNIEQGLEACLAGLLVSILFMIIFYKKFGLIATSALIANLILIVGIMSLLPGATLSMPGIAGIVLTLAVAVDANVLINERIKEELSNGRTVQ---QAIDEGYRGA--FSSIFDANITTLIKVIILYAVGTGAIKGFAITTGIGVATSMFTAIVGT----------------RAIVNLLYGGKRVKK

General information: TITO was launched using: RESULT: Template: 5MG3.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain D - contact count / total energy / energy per contact / energy per residue : 1759 -128734 -73.19 -310.95 target 2D structure prediction score : 0.43 Monomeric hydrophicity matching model chain D : 0.62 3D Compatibility (PKB) : -73.19 2D Compatibility (Sec. Struct. Predict.) : 0.43 1D Compatibility (Hydrophobicity) : 0.62 QMean score : 0.112

(partial model without unconserved sides chains): PDB file : Tito_5MG3.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5MG3-query.scw PDB file : Tito_Scwrl_5MG3.pdb: