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

General information: TITO was launched using: RESULT: Template: 1KRC.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 : 3678 -227313 -61.80 -402.32 target 2D structure prediction score : 0.62 Monomeric hydrophicity matching model chain C : 0.94 3D Compatibility (PKB) : -61.80 2D Compatibility (Sec. Struct. Predict.) : 0.62 1D Compatibility (Hydrophobicity) : 0.94 QMean score : 0.793

(partial model without unconserved sides chains): PDB file : Tito_1KRC.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1KRC-query.scw PDB file : Tito_Scwrl_1KRC.pdb: