Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSLLQFQQVGYWYKNKSQPLFQDINISFQKGKFYTIVGTSGTGKTTFLSLAGGLDAPKEGNILYDGKAVSKIGLTNFRNQYVSIVFQ-AYNLLPYMTALQNVTTAMEITGSKEKNKESYALDMLQKVGINEKQARQKVLTLSGGQQQRVSITRAFCCDTDLIVADEPTGNLDEDTSKEIVRLFQDLAHKEDKCVIMVTHDEQIAKVSDINIRLSRGSFTVKENVAVV 4HLU Chain:D ((26-216)) -------------------VLKDVNAEFETGKIYVVVGKNGSGKTTLLKILAGLLAAA-GEIFLDGSPADPFLL----RKNVGYVFQNPSSQIIGATVEEDVAFSLEIMGLDESEMRKRIKKVLELVGLSGLAAADP-LNLSGGQKQRLAIASMLARDTRFLALDEPVSMLDPPSQREIFQVLESLKN-EGKGIILVTHELEYLDDMDFILHISNGT----------

General information: TITO was launched using: RESULT: Template: 4HLU.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 : 908 -126401 -139.21 -665.27 target 2D structure prediction score : 0.58 Monomeric hydrophicity matching model chain D : 0.76 3D Compatibility (PKB) : -139.21 2D Compatibility (Sec. Struct. Predict.) : 0.58 1D Compatibility (Hydrophobicity) : 0.76 QMean score : 0.437

(partial model without unconserved sides chains): PDB file : Tito_4HLU.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4HLU-query.scw PDB file : Tito_Scwrl_4HLU.pdb: