Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MLRHVFLFLSQNKTLTKFAKAYGTRLGARRFVAGDTIESAVKTVKRLNRSGLCATIDYLGEYAASEKEANQVAEECKKAIQAIAEHQLDSELSLKLTSIGL---DLSEELALTHLRAILSVAKQYDVAVTIDMEDYSHYEQTLSIYRQCKQEF--EKLGTVIQAYLYRAAEDIKKMRDLKPNLRLVKGAYKESAAVAFPDKRGTDLHFQSLIKLQLLSGNYTAVATHDDDIIKFTKQLVAEHRIPASQFEFQMLYGIRPERQKELAKEGYRMRVYVPYGTDWFSYFMRRIAERPANAAFVLKGILKK 4H6Q Chain:C ((33-299)) ---------------------------AERFVAGESIESAIQAVQALERDGIAGNLDLLGEFIDSPAKCTEFADDVIKLIEAAHAAGIKPYVSIKLSSVGQGKDENGEDLGLTNARRIIAKAKEYGGFICLDMEDHTRVDVTLEQFRTLVGEFGAEHVGTVLQSYLYRSLGDRASLDDLRPNIRMVKGAYLEPATVAYPDKADVDQNYRRLVFQHLKAGNYTNVATHDERIIDDVKRFVLAHGIGKDAFEFQMLYGIRRDLQKQLAAEGYRVRVYLPYGRDWYAYFSRRIAETP-------------

General information: TITO was launched using: RESULT: Template: 4H6Q.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 : 1353 -152084 -112.40 -580.47 target 2D structure prediction score : 0.67 Monomeric hydrophicity matching model chain C : 0.79 3D Compatibility (PKB) : -112.40 2D Compatibility (Sec. Struct. Predict.) : 0.67 1D Compatibility (Hydrophobicity) : 0.79 QMean score : 0.533

(partial model without unconserved sides chains): PDB file : Tito_4H6Q.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4H6Q-query.scw PDB file : Tito_Scwrl_4H6Q.pdb: