Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKMSRRAYAEMFGPTVGDRIRLADTALFIEVEQDLTTYGEEVKFGGGKVIRDGMGQSQLLADE--VADTVITNALIVD-WWGIVKADVGLKNGRIWKIGKAGNPDIQPDIT--IPLGAATEVIAGEGQILTAGGIDTHIHWICPQQVETALMSGTTTMVGGGTGPAAGTSATTVTPGPWHIATMLQAIDDLPMNIGLLGKGNLSLPDPIREQIKAGVIGLKLHEDWGSTPAAIDNCLSVADEYDVQVAIHTDTLNEGGFLEETLAAFKDRTIHTYHTEGAGGGHAPDILKAIGQSNVLPSSTNPTRPYTINTIDEHLDMLMVCHHLDPAIAEDIAFAESRIRRETIAAEDILQDLGAIVMMSSDSQAMGRVGEVILRTWQTAHKMKVQRGPLEGDNEFHDNNRIKRYIAKYTINPAITHGLSHEIGSVEVGKLADLVLWKPAFFGVKPSMIIKGGMIAAAPMGDINASIPTPQPVHYRPMFGAYPRGVHNTCITFLSQAAIDEKVAEKLNLKKLISPCKNTRSITKADMKHNTYCPVMQVHPETYEVRADGELLTCEPADVLPMAQRYFLF 4Z42 Chain:C ((3-571)) -QISRQEYAGLFGPTTGDKIRLGDTNLFIEIEKDLRGYGEESVYGGGKSLRDGMGANNHLTRDNGVLDLVITNVTIVDARLGVIKADVGIRDGKIAGIGKSGNPGVMDGVTPGLVVGVSTDAISGEHLILTAAGIDTHIHLISPQQAYHALSNGVATFFGGGIGPTDGTNGTTVTPGPWNIRQMLRSVEGLPVNVGILGKGNSYGRGPLLEQAIAGVVGYKVHEDWGATANALRHSLRMADEMDIQVSVHTDSLNECGYVEDTIDAFEGRTIHTFHTEGAGGGHAPDIIRVASQPNVLPSSTNPTLPYGVNSQAELFDMIMVCHNLNPNVPADVSFAESRVRPETIAAENVLHDMGVISMFSSDSQAMGRVGENWLRVMQTANAMKASRGKLPEDAPGNDNFRVLRYVAKITINPAIAQGVSHVIGSVEVGKMADLVLWDPRFFGAKPKMVIKGGMINWAAMGDPNASLPTPQPVFYRPMFGAMGKTMQDTCVTFVSQAALDDGVKEKAGLDRQVIAVKNCRTISKHDLVRNDQTPNIEVDPETFAVKVDGVHATCEPIDTAAMNQRYFF-

General information: TITO was launched using: RESULT: Template: 4Z42.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 : 3672 40852 11.13 72.43 target 2D structure prediction score : 0.63 Monomeric hydrophicity matching model chain C : 0.88 3D Compatibility (PKB) : 11.13 2D Compatibility (Sec. Struct. Predict.) : 0.63 1D Compatibility (Hydrophobicity) : 0.88 QMean score : 0.773

(partial model without unconserved sides chains): PDB file : Tito_4Z42.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4Z42-query.scw PDB file : Tito_Scwrl_4Z42.pdb: