Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence --------------------------------------MSQDEQVRAWLERE------------------LDGTVVA--FERQERWRAA---WFAELKNQG--------ELRSYYVRGHRG-----GNFREM---ITLGQEADINRVLHRHGVP-----------VPRVHGMIDDPPAIVMDRLPGRVNLATALDDAER-----------EAVLDQYVDAMCRM---------------------HAID-VNEFGALGLPVPADNRAAALNMYATGERNYRRAKTAPSPMIEFMWRWLCRNVPAGRTQQGLIQA-DAAQFLFEQGRMTGLID-----FEAAYIGD----PIAE--------------FAAMRSRDCEEPLGDIGRIARRYEAVTGEPVDRDAVEFHTAGW--SLMTPFQWEDSVRNPAPGDS------WLEYFTWLVGC--------GRWALEAIAAVAGAPLPTVEAPAQRPSSYSSAAYTNLMSLLDEWPTASAYEGFRADSARAVTRFAEHVHAF---------------GAD---LEGAAVEEISELLGTRQPDLATAEAALEQFVL--RASPDLDVALVQYFHRWTQRQQFL----IAGTGARHEKLIHLSLQPLTADAWQAEGQSRRHA------------ 4UIR Chain:A ((2-646)) NPITSKFDKVLNASSEYGHVNHEPDSSKEQQRNTPQKSMPFSDQIGNYQRNKGIPVQSYDNSKIYIIGSGIAGMSAAYYFIRDGHVPAKNITFLEQLHIDGGSLDGAGNPTDGYIIRGGREMDMTYENLWDMFQDIPALEMPAPYSVLDEYRLINDNDSNYSKARLINNKGEIKDFSKFGLNKMDQLAIIRLLLKNKEELDDLTIEDYFSESFLKSNFWTFWRTMFAFENWHSLLELKLYMHRFLHAIDGLNDLSSLVFP-----KYNQYDTFVTPLRKFLQEKGVNIHLNTLVKDLDIHINTEGKVVEGIITEQDGKEVKIPVGKNDYVIVTTGSMTEDTFYGNNKTAPIIGIDNSTSGQSAGWKLWKNLAAKS--EIFGKPEKFCSNIEKS--------AWESATLTCKPSALIDKLKEYSVNDPYSGKTVTGGIITITDSNWLMSFTCNRQPHFPEQPDDVLVLWVYALFMDKEGNYIKKTMLECTGDEILAELCYHLGIEDQLENVQKN-TIVRTAFMPYITSMFMPRAKGDRPRVVPEGCKNLGLVGQFVETNNDVVFTMESSVRTARIAVYKLLNLNKQVPDINPLQYDIRHLLKAAKTLNDDKPFVGEGLLRKVLKGTYFEHVLPAGEEHESFIAEHVNKFREWVKGIRG

General information: TITO was launched using: RESULT: Template: 4UIR.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 : 1893 23722 12.53 53.43 target 2D structure prediction score : 0.39 Monomeric hydrophicity matching model chain A : 0.66 3D Compatibility (PKB) : 12.53 2D Compatibility (Sec. Struct. Predict.) : 0.39 1D Compatibility (Hydrophobicity) : 0.66 QMean score : 0.062

(partial model without unconserved sides chains): PDB file : Tito_4UIR.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4uir-query.scw PDB file : Tito_Scwrl_4UIR.pdb: