Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSQTLIAALQNPALYPHPVERFEVIETH-ISW--VLLT----GPYAYKIKKPMDFGFLDFTSLDKRRFYCNEELRLNQRLTDDLYL-EVLPITGSEEAPRIGGDGEAIEYLLKMRQFPQDNLLAAIQGRGELSNQHIDELAEQIAHFHQNTPKVPLEHPLGTAESCMAPVRQNFEQVRPLLKDK-AD---LQQLDALE----AWAESSFERLLPVLQE-RKAKGFIRECHGDIHLGNAALID-GRVVLFDCIEFNEPFRFTDVCADFAFLAMDLEDRG-LKCHARRFVSLYLEHTGDYQALELLNFYKAYRAMVRAKVALFSLGY-QTDAVQRAATLRQYRNYANLAESYSAIPSRFLAVTHGVSAVGKSQVAMRLVEALGAVRLRSDIERKRLFGEQPEHDRGQFAAGIYSSQASEATYAHLHQLAAKILQAGYPVVIDAAYLKQNQRQAACHIAEETGVPFLILDCQAPEAVIAGWLAQRQAEGKDPSDATLDVIRTQQATREPLTAAETVQSKRVDTHDAASLDGLVDGIRQRLPGL 3I1A Chain:B ((17-330)) ------------VHYGIDIHTAQFIQGGADTNAFAYQADSESKSYFIKLKYGYH---------------DEINLSIIRLLHDSGIKEIIFPIHTLEAKLFQQL--KH-FKII-AYPFIHAPNGFTQ----NLTGKQWKQLGKVLRQIHETSVPISIQQQLR-KEIYSPKWREIVRSFYNQIEFDNSDDKLTAAFKSFFNQNSAAIHRLVDTSEKLSKKIQPDLDKYVLCHSDIHAGNVLVGNEESIYIIDWDEPML----APKERDLMFIGGGVGNVWNKPHEIQYFYEGYGEINV---DKTILSYYRHERIVEDIAVYGQDLLSRNQNNQSRLESFKYFK------EMFDPNNVVEIAFATE---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3I1A.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 1258 20197 16.05 68.70 target 2D structure prediction score : 0.55 Monomeric hydrophicity matching model chain B : 0.61 3D Compatibility (PKB) : 16.05 2D Compatibility (Sec. Struct. Predict.) : 0.55 1D Compatibility (Hydrophobicity) : 0.61 QMean score : 0.172

(partial model without unconserved sides chains): PDB file : Tito_3I1A.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3i1a-query.scw PDB file : Tito_Scwrl_3I1A.pdb: