Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence -----MSIEII------------ISLGIYFIAMLLIGWYAFKKTTDINDYMLGGRGLGPFVTA------LSAG-AADMSGWMLM----GVPGAMFATGLSTLWLALGLTIGAYSNYLLLAPRLRAYTEAADDAITI-------------------------------PDFFDKRFQHSSSLLKIVSALIIMIFFTL------YTSSGMVSGGRLFESAFGADYKLGLFLTTAVVVLYTLFGGFLAVSLTDF----------------------VQGAIMFAALVLVPIVAFTHVGGVAPTFHEIDAVNPHLLDIFKGASVISIISYL-----AWGLGYYGQPHIIVRFMAIKDIKDLKPARRIGMSWMIITVLGSVLTGLIGVAYAHKFGVAVKDPEMIFIIF---------------SKILFHPLITGFLLS---------------AILAAIMSSISSQLLVTASAV-------TEDLYRSFFRRKAS----------------DKELVMIGRLS------------------VLVIAVIAVLLSLNPNSTILDLVGY---------AWAGFGSAFGPAILLSLYWKRMNE-WGALAAMIVGAATVLIWITTGLAKSTGVYEIIPGF--ILSMIA-----GIIVSMITKRPAKASYRLFGVMEKLLKRKK 4RKN Chain:A ((43-702)) MQMTKEAREIIAHPKGTKESRGVISLQDYIVEEQAMYDWLFKNHPIFTKY--GGKTVGKLVVKDRGEEWIEEGRGNDFSKASKRSGGEGFSSMMYRVARNSTLQYPNKFIGPEKCGECHPAQYETWSRS-RHATTIRFPGEHPEVNNKLNDPVFDKDTASILPQGITPDVVYCTVGHIRTKFGFFDAWLLRGTYHVEGGLLKNGTGQIVAGGNQWQRTWALN------LSPEVAKKIKKWVPDFPVTLEEYGDNGGYVRGLASYAAKYKKSMSFQASTSYCEVCHPWKFDFKNESEFYAALGNAKELQKH--TISKGVSCEECHGAGGHLEGGSGLLISNCERCHQRFSYSPDLMRNNPLNAGKPDLALSSKFKSMGPGC-GSEGSQTYFTAHYEKGMRCATCHDPHDVTGNVTGEKGIKGVSYNSEQGYLSSLYSKPKLKKECTDCHKEQAYIQSKADTHSKNSCASCHMPFMMSCENFYAIQFQDQAGFDTQRRAHIWKIDVDPARKSLVAGSTSKDPRDGKDWHFERNEEGRNFVDLMWACARTTWADKDQAEAKGCHSPVVSELKETLHFKDQKQVYNEVMGWQTPVKDKFTQVKVGIQGLYSLLEVKKLAPSDKTRVYELIEKAQDTVDLIEKDGSWGMHGFKYTKQRLDAAVEYINEAQRIMKKSL

General information: TITO was launched using: RESULT: Template: 4RKN.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 : 1980 -227441 -114.87 -473.83 target 2D structure prediction score : 0.36 Monomeric hydrophicity matching model chain A : 0.66 3D Compatibility (PKB) : -114.87 2D Compatibility (Sec. Struct. Predict.) : 0.36 1D Compatibility (Hydrophobicity) : 0.66 QMean score : 0.114

(partial model without unconserved sides chains): PDB file : Tito_4RKN.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4RKN-query.scw PDB file : Tito_Scwrl_4RKN.pdb: