Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MGQKVHPVGIRLGVVKRHNANWYANPKQYAEYLLKDLQVREFLTKKLKNAMVSNILIERPSGAAKVTISTARPGIVIGKKGEDIEKLQRELTNIMGVPAQVSINEIDRPDLDARLVAEAIASQLEKRVMFRRAMKRAVQNTMRAGAKGIKVEVSGRLGGAEIARTEWYREGRVPLHTLRADIDYATMRAETTYGTIGVKVWIFRGEILGGMKQVMNPAPAEERPAKRGRGRGEGQERRGRRGDRAADKGE 2YKR Chain:C ((1-206)) -GQKVHPNGIRLGIVKPWNSTWFANTKEFADNLDSDFKVRQYLTKELAKASVSRIVIERPAKSIRVTIHTARPGIVIGKKGEDVEKLRKVVADIAGVPAQINIAEVRKPELDAKLVADSITSQLERRVMFRRAMKRAVQNAMRLGAKGIKVEVSGRLGGAEIARTEWYREGRVPLHTLRADIDYNTSEAHTTYGVIGVKVWIFKGEI-------------------------------------------

General information: TITO was launched using: RESULT: Template: 2YKR.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 : 1146 -74149 -64.70 -359.94 target 2D structure prediction score : 0.68 Monomeric hydrophicity matching model chain C : 0.90 3D Compatibility (PKB) : -64.70 2D Compatibility (Sec. Struct. Predict.) : 0.68 1D Compatibility (Hydrophobicity) : 0.90 QMean score : 0.420

(partial model without unconserved sides chains): PDB file : Tito_2YKR.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2YKR-query.scw PDB file : Tito_Scwrl_2YKR.pdb: