Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MTKVNIVIIDDHQLFREGVKRILDFEPTFEVVAEGDDGDEAARIVEHYHPDVVIMDINMPNVNGVEATKQLVELYPESKVIILSIHDDENYVTHALKTGARGYLLKEMDADTLIEAVKVVAEGGSYLHPKVTHNLVNEFRRLATSGVSAHPQHEVYPEIRRPLHILTRRECEVLQMLADGKSNRGIGESLFISEKTVKNHVSNILQKMNVNDRTQAVVVAIKNGWVEMR 4YN8 Chain:A ((3-197)) LGSIRVMLIDDHPVVRAGLRSILDSFDDITVVAEASDGSN----INTKGIDVVVTDIQMPGTDGITLTRALAN-AGGPPVLILTTYDTEADILAAVEAGAMGYLLKDAPESALHDAVVATFEGRRTLAPEVANALMQR--------------------VSKPRQALSAREIEILQNLEQGLSNRQLAAKLFISEATVKTHLVHIYSKLGVDNRTAAITAA---------

General information: TITO was launched using: RESULT: Template: 4YN8.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 : 884 -115026 -130.12 -589.87 target 2D structure prediction score : 0.74 Monomeric hydrophicity matching model chain A : 0.76 3D Compatibility (PKB) : -130.12 2D Compatibility (Sec. Struct. Predict.) : 0.74 1D Compatibility (Hydrophobicity) : 0.76 QMean score : 0.618

(partial model without unconserved sides chains): PDB file : Tito_4YN8.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4YN8-query.scw PDB file : Tito_Scwrl_4YN8.pdb: