Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence ---------------MGNYLSVAVELVCGLGILFIILK----LLGKTQFSQIT-------PFDFISALILGELVGN-------------AVYDHEIKIK---EIIFASLLWGVLIYIIEFITQKM------------KSSRKFLEG----EPNIVI---------RKGELQYKVMKKNKID----INQLQSLLRQAGSFSIQEV---EYAILETNGMVSVLPKSDFDKPTNKDL-------------QIPSKSVSLPITLIIDG---EIVRDNLKEAGVDEQWLKQELKKKNIDKTEDVLFAEWHKNKPLYTVTYEQSRST---- 4XYW Chain:A ((1-338)) MKNVGFIVTKSEIGGAQTWVNEISNLIKEECNIFLITSEEGWLTHKDVFAGVFVIPGIKKYFDFLTLFKLRKILKENNISTLIASSANAGVYARLVRLLVDFKCIYVSHGWSCLKSIFCIVEKYLSLLTDVIWCVSKNDEKKAIENIGIKEPKIITVSNSVPQMPRCKQLQYKVLFVGRLTHPKRPELLANVISKKPQYSLHIVGSLKKQFSECENIHFLGEVNNFYNYHEYDLFSLISDSEGLPMSGLEAHTAAIPLLLSDVGGCFELIEGNGLLVENTEDDIGYKLDK-IFDDYENYREQAIRASGKFVIENYASAYKSIILG

General information: TITO was launched using: RESULT: Template: 4XYW.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 : 815 -81836 -100.41 -355.81 target 2D structure prediction score : 0.53 Monomeric hydrophicity matching model chain A : 0.62 3D Compatibility (PKB) : -100.41 2D Compatibility (Sec. Struct. Predict.) : 0.53 1D Compatibility (Hydrophobicity) : 0.62 QMean score : 0.267

(partial model without unconserved sides chains): PDB file : Tito_4XYW.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4XYW-query.scw PDB file : Tito_Scwrl_4XYW.pdb: