Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MIAGYIMAAENQTLNQWTINQLGITRGDSILEVGFGPGYCMQQMLKREKDVHLHGIDVSEAMLKLAARRVK---PKGVRLIQGSIETFPLPASFYDKVISVNNYTIWNDQTKGIKQIYRALKPGGKAAITMQPREADA-SP---------EKTKSFGRQMIADFKAAGFEDIDIQFKNIKPELSVCATAKKPAT 4KRI Chain:A ((220-370)) -----------------------MKTGQRMLDIGVGIGGGARQAASEF-GLQVHGVDLSTNMLAVALERVHKEKDARVTYAVCDACEYEFEPNSFDYVFSRDCIQHIKDTDKLFSRIYRALKPGGKVLITMYGVGHGTLSESFKEYVSQRQYYLKNLEQIEEIAKKTGFIDIEVE-------------------

General information: TITO was launched using: RESULT: Template: 4KRI.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 : 642 -83212 -129.61 -602.98 target 2D structure prediction score : 0.66 Monomeric hydrophicity matching model chain A : 0.68 3D Compatibility (PKB) : -129.61 2D Compatibility (Sec. Struct. Predict.) : 0.66 1D Compatibility (Hydrophobicity) : 0.68 QMean score : 0.669

(partial model without unconserved sides chains): PDB file : Tito_4KRI.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4KRI-query.scw PDB file : Tito_Scwrl_4KRI.pdb: