Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MDIADQTFVKKVNQKLLLKEILKNSPISRAKLSEMTGLNKSTVSSQVNTLMKENLVFEIGQGQSSGGRRPVMLVFNKKAGYSIGIDVGVDYISGILTDLEGTIILDQHHHLESNSPEITKDILIDMIHHFITRMPQSPYGLIGIGICVPGLIDKNQKIVFTPN---SNWRDIDLKSFIQEKFNVPVFIENEANAGAYGEKVFGAAKNHNNIIYASISTGIGIGVIINNHLYRGVSGFSGEMGHMTIDFNGPKCSCGNRGCWELYASEKALLKSLQT-------------KEKKVSYQDIIDLAHLNDIGTLNALQNFGFYLGIGLTNILNTFNPQAIILRNSIIESHPMVLNSIRSEVSSRVYPQLGNSYELLPSSLGKNAPALGMSSIVIEHFLDIVKM 2YHY Chain:A ((32-297)) ---------------------------------------------------------------------------------ALAVDLGGTNLRVAIVSMKGEIV-KKYTQFNPKTYEERINLILQMCVEAAAEAVKLNCRILGVGISTGGRVNPREGIVLHSTKLIQEWNSVDLRTPLSDTLHLPVWVDNDGNCAALAERKFGQGKGLENFVTLITGTGIGGGIIHQHELIHGSSFCAAELGHLVVSLDGPDCSCGSHGCIEAYASGMALQREAKKLHDEDLLLVEGMS---AVGALHLIQAAKLGNAKAQSILRTAGTALGLGVVNILHTMNPSLVIL-SGVLASH-----------------------------------------------------

General information: TITO was launched using: RESULT: Template: 2YHY.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 : 1306 -151025 -115.64 -616.43 target 2D structure prediction score : 0.67 Monomeric hydrophicity matching model chain A : 0.69 3D Compatibility (PKB) : -115.64 2D Compatibility (Sec. Struct. Predict.) : 0.67 1D Compatibility (Hydrophobicity) : 0.69 QMean score : 0.540

(partial model without unconserved sides chains): PDB file : Tito_2YHY.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2YHY-query.scw PDB file : Tito_Scwrl_2YHY.pdb: