Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKMSRRAYAEMFGPTVGDRIRLADTALFIEVEQDLTTYGEEVKFGGGKVIRDGMGQSQLLADEVADTVITNALIVDWWGIVKADVGLKNGRIWKIGKAGNPDIQPDITIPLGAATEVIAGEGQILTAGGIDTHIHWICPQQVETALMSGTTTMVGGGTGPAAGTSATTVTPGPWHIATMLQAIDDLPMNIGLLGKGNLSLPDPIREQIKAGVIGLKLHEDWGSTPAAIDNCLSVADEYDVQVAIHTDTLNEGGFLEETLAAFKDRTIHTYHTEGAGGGHAPDILKAIGQSNVLPSSTNPTRPYTINTIDEHLDMLMVCHHLDPAIAEDIAFAESRIRRETIAAEDILQDLGAIVMMSSDSQAMGRVGEVILRTWQTAHKMKVQRGPLEGDNEFHDNNRIKRYIAKYTINPAITHGLSHEIGSVEVGKLADLVLWKPAFFGVKPSMIIKGGMIAAAPMGDINASIPTPQPVHYRPMFGAYPRGVHNTCITFLSQAAIDEKVAEKLNLKKLISPCKNTRSITKADMKHNTYCPVMQVHPETYEVRADGELLTCEPADVLPMAQRYFLF 1A5K Chain:C ((3-567)) -NISRQAYADMFGPTVGDKVRLADTELWIEVEDDLTTYGEEVKFGGGKVIRDGMGQGQMLAADCVDLVLTNALIVDHWGIVKADIGVKDGRIFAIGKAGNPDIQPNVTIPIGAATEVIAAEGKIVTAGGIDTHIHWICPQQAEEALVSGVTTMVGGGTGPAAGTHATTCTPGPWYISRMLQAADSLPVNIGLLGKGNVSQPDALREQVAAGVIGLEIHEDWGATPAAIDCALTVADEMDIQVALHSDTLNESGFVEDTLAAIGGRTIHTFHTEGAGGGHAPDIITACAHPNILPSSTNPTLPYTLNTIDEHLDMLMVCHHLDPDIAEDVAFAESRIRRETIAAEDVLHDLGAFSLTSSDSQAMGRVGEVILRTWQVAHRMKVQRGALAEETGDNDNFRVKRYIAKYTINPALTHGIAHEVGSIEVGKLADLVVWSPAFFGVKPATVIKGGMIAIAPMGDINASIPTPQPVHYRPMFGALGSARHHCRLTFLSQAAAANGVAERLNLRSAIAVVKGCRTVQKADMVHNSLQPNITVDAQTYEVRVDGELITSEPADVLPMAQRYFLF

General information: TITO was launched using: RESULT: Template: 1A5K.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain C - contact count / total energy / energy per contact / energy per residue : 3698 -237701 -64.28 -420.71 target 2D structure prediction score : 0.61 Monomeric hydrophicity matching model chain C : 0.94 3D Compatibility (PKB) : -64.28 2D Compatibility (Sec. Struct. Predict.) : 0.61 1D Compatibility (Hydrophobicity) : 0.94 QMean score : 0.777

(partial model without unconserved sides chains): PDB file : Tito_1A5K.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1A5K-query.scw PDB file : Tito_Scwrl_1A5K.pdb: