Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MLNSEFQPNWLYPPSEVIKNFIQLNNIDTSAFDVSTK---KIIDDLVNQNTKIDLYTSEVLKEAIGGTTQFWLNIQNQFTINSLRIQNSSVDNNFSEYRNLVNELKKLHWTPESKYDYLDQINLKSFFGISEFSLLTKKYIVQHNLRVKFKNIGQYNSSELNVATLIRKAELEAKKQPILSPWNKLLFIEKLQEIKKLSKVKGFKNFRNELLSICNQCGVAFIVLDTLNKSPIRGISKFLDSNIGLIIVTTKYNKDDVFWQTFFHEAGHLVLHSKEMVFSDQGDLNKEASHNLEEAQADEFMLTHILHPYTIEEVTNMFNTRIMYKSKTESWRNICQIARQVNISPSLLTGILKFQGIIPYSYFTNGHEKLYD 3KZ3 Chain:B ((17-80)) -------------LKAIWEKKKNELGLSYESVADKMGMGQSAVAALFNGINALNAYNAALLAKILKVSVEEFSPSIA--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3KZ3.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 196 -14031 -71.58 -230.01 target 2D structure prediction score : 0.61 Monomeric hydrophicity matching model chain B : 0.52 3D Compatibility (PKB) : -71.58 2D Compatibility (Sec. Struct. Predict.) : 0.61 1D Compatibility (Hydrophobicity) : 0.52 QMean score : 0.585

(partial model without unconserved sides chains): PDB file : Tito_3KZ3.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3KZ3-query.scw PDB file : Tito_Scwrl_3KZ3.pdb: