Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MVTMQYSCGKININIPDGYGDIKDIVFSAHIIVRYNNGHCGGIDPHIIGLCKKQIRRMSLYPILIIVSRDSKVIDDYKNLDIAYVDCTQCSNNFETALHVKNILKLLKIQLIHCHGYSTNYFLYMLKKLDKNGFGKVKTVITCHGWVEYNLKK-KFLTYFDFWTYSMGDAFICVSETMKKRLESIIK--NKKIVAINNGINVSNSDLDVVGVQDFKKEFCIPNNKKIICYVGRLDPEKRPDRFLEFAEKLFLVREDVIFIMAGNGSMWAALKEKICHLKCRDNFRLLGEIYPATIVYQISDLLYIPSDTEGIPMCVLESMSQGTSVLASNVGGLSEIIEHRVDGFLFEKEDVEGVCACANFLLNDSEYLKYIGENSKSKIRKHFSVQKMFVETMRVYDELLEKSSHG 4XYW Chain:A ((1-337)) ---------------------MKNVGFIVT-----K-SEIGGAQTWVNEISNLIKE-E--CNIFLITSEEGWLTHKDVFAGVFVIPGIKKYFDFLTLFKLRKILKENNISTLIASSANAGVYARLVRL-----LVDFKCIYVSHGWSCL----KSIFCIVEKYLSLLTDVIWCVSKNDEKKAIENIGIKEPKIITVSNSVPQMPRC---------------KQLQYKVLFVGRLTHPKRPELLANVISKK----PQYSLHIVG------SLKKQ---FSECENIHFLGEVNNFY-NYHEYDLFSLISDSEGLPMSGLEAHTAAIPLLLSDVGGCFELIEG--NGLLVEN-TEDDIGYKLDKIFDDYENYREQA---IR-ASGKFVIENYASAYKSIIL---------

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 : 1804 -119622 -66.31 -373.82 target 2D structure prediction score : 0.64 Monomeric hydrophicity matching model chain A : 0.69 3D Compatibility (PKB) : -66.31 2D Compatibility (Sec. Struct. Predict.) : 0.64 1D Compatibility (Hydrophobicity) : 0.69 QMean score : 0.533

(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: