Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MPYIILEDQTRLYYETHGS----GTPILFIHGVLMSGQFFHKQFSVLSANYQCIRLDLRGHGESDKVLHGHTISQYARDIREFLNAMELDHVVLAGWSMGAFVVWDYLNQFGNDNIQAAVIIDQSASDYQWEGWEHGPFDFDGLKTAMHAIQTDPLPFYESFIQNMFAEPPAETETEWMLAEILKQPAAISSTILFNQTAADYRGTLQNINVPALLCFGEDKKFFSTAAGEHLRSNIPNATLVTFPKSSHCPFLEEPDAFNSTLLSFLDGVIGKS 2XUA Chain:A ((7-264)) ----AAVNGTELHYRIDGERHGNAPWIVLSNSLGTDLSMWAPQVAALSKHFRVLRYDTRGHGHSEAPKGPYTIEQLTGDVLGLMDTLKIARANFCGLSMGGLTGVALAARH-ADRIERVALCNTAARIGSPEVWVPR--AVKARTEGMHALAD---AVLPRWFTADYMER-EPVVLAMIRDVFVHTDKEGYASNCEAIDAADLRPEAPGIKVPALVISGTHDLAATPAQGRELAQAIAGARYVEL-DASHISNIERADAFTKTVVDFLTE-----

General information: TITO was launched using: RESULT: Template: 2XUA.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 : 1580 -174005 -110.13 -685.06 target 2D structure prediction score : 0.67 Monomeric hydrophicity matching model chain A : 0.72 3D Compatibility (PKB) : -110.13 2D Compatibility (Sec. Struct. Predict.) : 0.67 1D Compatibility (Hydrophobicity) : 0.72 QMean score : 0.530

(partial model without unconserved sides chains): PDB file : Tito_2XUA.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2XUA-query.scw PDB file : Tito_Scwrl_2XUA.pdb: