Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MTNLNLNINQNDVELIPENHPESQEPVVGAEILIEQLYKFYGEVKVLEDLNLHIQPGEFLAIVGRSGCGKSTLLRLIAQLEKASFGEIKFKSARHLREGITN-----DDIRVMFQDPRLLPWRNILQNVQLGLPKSQ-------HALAEELLEKVGLKEKAGQWPSQLSGGQRQRTALARALSHTPRILLLDEPLGALDALTRLEMQSLIERLWKEQGFTAILVTHDVSEAVQLADRIILLDKGQIAQSFQVNLPRPRKKSITFAQLEQQVLDAVLAT 3C4J Chain:A ((25-239)) -------------------------------IDVHQLKKSFGSLEVLKGINVHIREGEVVVVIGPSGSGKSTFLRCLNLLEDFDEGEIIIDGI-NLKAKDTNLNKVREEVGMVFQRFNLFPHMTVLNNITLAPMKVRKWPREKAEAKAMELLDKVGLKDKAHAYPDSLSGGQAQRVAIARALAMEPKIMLFDEPTSALDPEMVGEVLSVMKQLANE-GMTMVVVTHEMGFAREVGDRVLFMDGGYIIE------------------------------

General information: TITO was launched using: RESULT: Template: 3C4J.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 : 1009 -48543 -48.11 -239.13 target 2D structure prediction score : 0.64 Monomeric hydrophicity matching model chain A : 0.77 3D Compatibility (PKB) : -48.11 2D Compatibility (Sec. Struct. Predict.) : 0.64 1D Compatibility (Hydrophobicity) : 0.77 QMean score : 0.457

(partial model without unconserved sides chains): PDB file : Tito_3C4J.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3C4J-query.scw PDB file : Tito_Scwrl_3C4J.pdb: