Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNKKIAIVTGASSGFGLLAAVKLARS----FFVIATSRQPEKAEQLRELAAAHNVSDSIHITALDVTDEQSIVSFGKAV-SAYAPIDLLVNNAGTAYGG-FIEDVPMEHFRQQFETNVFGVIHVTKTVLPYIRKHGGAKIINVSSISGLTGFPALSPYVSSKHALEGFSESLRIELLPFGIETALIEPGSYKTSIWSTSLSNFMSVPADDSAYHQYYKKILSYVQKNGEESGDPQEVADLIYQLATKQHIKNLRYPIGKGIKLTLLFRSLFPWSAWESILKKKLFS 3RKU Chain:D ((31-223)) LAKKTVLITGASAGIGKATALEYLEASNGDMKLILAARRLEKLEELKKTIDQEFPNAKVHVAQLDITQAEKIKPFIENLPQEFKDIDILVNNAGKALGSDRVGQIATEDIQDVFDTNVTALINITQAVLPIFQAKNSGDIVNLGSIAGRDAYPTGSIYCASKFAVGAFTDSLRKELINTKIRVILIAPGLVET---------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3RKU.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain D - contact count / total energy / energy per contact / energy per residue : 913 15102 16.54 80.76 target 2D structure prediction score : 0.68 Monomeric hydrophicity matching model chain D : 0.72 3D Compatibility (PKB) : 16.54 2D Compatibility (Sec. Struct. Predict.) : 0.68 1D Compatibility (Hydrophobicity) : 0.72 QMean score : 0.528

(partial model without unconserved sides chains): PDB file : Tito_3RKU.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3RKU-query.scw PDB file : Tito_Scwrl_3RKU.pdb: