Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MVTMQYSCGKININIPDGYGDIKDIVFSAHIIVRYNNGHCGGIDPHIIGLCKKQIRRMSLYPILIIVSRDSKVIDDYKNLDIAYVDCTQCSNNFETALHVKNILKLLKIQLIHCHGYSTNYFLYMLKKLDKNGFGKVKTVITCHGWVEYNLKKKFLTYFDFWTYSMGDAFICVSET-MKKRLESI-IKNKKIVAINNGINVSNSDLDVVGVQDFKKEFCIPNNKKIICYVGRLDPEKRPDRFLEFAEKLFLVREDVIFIMAGNGSMWAALKEKICHLKCRDNFRLLGEIYPATIVYQISDLLYIPSDTEGIPMCVLESMSQGTSVLASNVGGLSEIIEHRVDGFLFEKEDVEGVCACANFLLNDSEYLKYIGENSKSKIRKHFSVQKMFVETMRVYDELLEKSSHG 4XYW Chain:A ((1-338)) MKNVGFIVTKSEI---------------------------GGAQTWVNEISNLIKEE---CNIFLITSEEGWLTHKDVFAGVFVIPGIKKYFDFLTLFKLRKILKENNISTLIASSANAGVYARLVRLLVD-----FKCIYVSHGW---SCLKSIFCIVEKYLSLLTDVIWCVSKNDEKKAIENIGIKEPKIITVSNSV---------------PQMPRCKQLQYKVLFVGRLTHPKRPELLANVISKKPQYSLHIV------GSLKKQFSEC-------ENIHFLGEVNNFY-NYHEYDLFSLISDSEGLPMSGLEAHTAAIPLLLSDVGGCFELIEG--NGLLVENTEDDIGYKLDKIFDDYENYREQAIRASGK-----FVIENY----ASAYKSIILG----

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 : 1834 -107825 -58.79 -334.86 target 2D structure prediction score : 0.61 Monomeric hydrophicity matching model chain A : 0.69 3D Compatibility (PKB) : -58.79 2D Compatibility (Sec. Struct. Predict.) : 0.61 1D Compatibility (Hydrophobicity) : 0.69 QMean score : 0.477

(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: