Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKMSRRAYAEMFGPTVGDRIRLADTALFIEVEQDLTTYGEEVKFGGGKVIRDGMGQSQLLADEVADTVITNALIVDWWG---IVKADVGLKNGRIWKIGKAGNPDIQPDITIPLGAATEVIAGEGQILTAGGIDTHIHWICP------------------------QQVETALMSGTTTMVGGGTGPAAGTSATTVTPGPWHIATMLQAIDDLPMNIGL---------------------------------------LG--K-G---NLS-LPDPIREQIKAGVIGLKLHED-------------WGSTPAAIDNCLSVADEYDVQVAIHTDTLNEGGFLEETLAAFKDRTIHTYHTEGAGGGHAPDILKAIGQSNVLPSSTNPTRPYTINTIDEHLDMLMVCHHLDPAIAEDIAFAESRIRRETIAAEDILQDLGAIVMMSSDSQAMGRVGEVILRTWQTAHKMKVQ------RGPLEGD-N-EFHDNNRIKRYIAKYTINPAITHGLSHEIGSVEVGKLADLVLWKPAFFG-----VKPSMIIKGGMIAAAPMGDINASIPTPQPVHYRPMFGAYPRGVHNTCITFLSQAAIDEKVAEKLNLKKLISPCKNTRSITKADMKHNTYCPVMQVHPETYEVRADGELLTCEPADVLPMAQRYFLF 4UB9 Chain:A ((32-481)) --------------------------------------------------------------EGETIAIVGGTLIDGNGGVPVPETTVFIEDGRITKVGSTDQIE--------VHPNIRQIDAQGKWILPGLVNGNVHLLDGIMMMGRGGIEYLARFEGNYYKVIEEAAQIALRGGVTTVFDTWNALEPVT----------IARDRIASGAAEGARIFFAGTLIGMGGPFTGDFMRPSMQARTVMSRTFADRMDAMFEVGMGRHLSTLPPAEVRPLIREYLERGVDFCKIAVTDHLVGLLGFRAPYFTFSERVLDVLVDEVRRAGVPLLTHTTSLEG---LNTAIERDADLMIHATMTGQA--PIPEETIEKLLEKQLWSE-VQPTTIAQ-------------QAWMDS---VDHPF-ADFSGRVHHENDVRMIKAGVPLVLGTDAGCTDP------DILEDMSQGELHERPWTLGEDHFVWMQAMVEKGMDPMAAILAGTANPAKAYRKFDELGSIDVGKLGDVVVLDQDPLADITNMRTLSHVVKEGREIDFHGLPL----------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4UB9.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 : 1801 3150 1.75 8.97 target 2D structure prediction score : 0.63 Monomeric hydrophicity matching model chain A : 0.59 3D Compatibility (PKB) : 1.75 2D Compatibility (Sec. Struct. Predict.) : 0.63 1D Compatibility (Hydrophobicity) : 0.59 QMean score : 0.378

(partial model without unconserved sides chains): PDB file : Tito_4UB9.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4UB9-query.scw PDB file : Tito_Scwrl_4UB9.pdb: