Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MVAQAIRNIISPKSVIAQYQKIDFSNKGTIPIRHLNIGFDGKEIDIEFYVNNQFATLFFATLSVFLTYGEDLVIETARHHR-EFIQD--PILKQRVTSLIGQEAIHSKLHNEFNDAIKELEYPVDLYRFLGENF--------FKYVFLK-----FPQPL-K--LSLMAGIEHFTAVLAEYMMKHEKNFYYTDDAKSRALWMWHMLEESEHKDIAYDVYQILNGNYPLRATGFLMAFITILGLIPTATLLVPVLRKPKELLTRKFWKDARRGVNLIFSPKDGVFGSTIGQIFDYLRPNFHPNDHDTTQYLEYYKNKLLNEGGAIAPYFVKEFTPPVRAVS 4XB9 Chain:A ((75-231)) -------------------------------------------------------------LVAGFSAGEEAVTLDILPMAHALARQGRLEDVLFLTTFMHDEAKHVEMFSRWQQAV---GIGQMDLSVFHNDHYKRIFYEALPEAMNRLYADDSPEAVIRAATVYNMIVEGTLAESGYYTFRQIYKKA-GLFPGLLQGIDYLNMDEGRHIQFGIYTIQRIV---------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4XB9.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 : 431 -28338 -65.75 -205.34 target 2D structure prediction score : 0.56 Monomeric hydrophicity matching model chain A : 0.53 3D Compatibility (PKB) : -65.75 2D Compatibility (Sec. Struct. Predict.) : 0.56 1D Compatibility (Hydrophobicity) : 0.53 QMean score : 0.232

(partial model without unconserved sides chains): PDB file : Tito_4XB9.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4XB9-query.scw PDB file : Tito_Scwrl_4XB9.pdb: