Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MRYNSIAKVRKLIRRSVLLLKFISWNVNGLRAI-VNKNFLEVFHELDADFFCLQETKLQAGQIDLDLPGYYQYWNYAERKGYSGTAIFAKKPALNATYGMGIDIHDTEGRLITLEYSDFFLVTCYTPNSQSELKRLDYRLEWEEAFYNYLENLKKQKPVIVCGDLNVAHQKIDLKNWKTNQKNAGFTPEERAALSRLLDNGFIDTFRYFYPTQEGVYSWWNYRFNSRKNNAGWRIDYFLTSKDLEPGLADAKIHTDIMGSDHCPVELDLK 5CFE Chain:A ((1-251)) -------------------MKLISWNVNGLRAVMRKMDFLSYLKEEDADIICLQETKIQDGQVDLQPEDYHVYWNYAVKKGYSGTAVFSKQEPLQVIYGIGVEEHDQEGRVITLEFENVFVMTVYTPNSRRGLERIDYRMQWEEALLSYILELDQKKPVILCGDLNVAHQEIDLKNPKANRNNAGFSDQEREAFTRFLEAGFVDSFRHVYPDLEGAYSWWSYRAGARDRNIGWRIDYFVVSESLKEQIEDASISADVMGSDHCPVELIIN

General information: TITO was launched using: RESULT: Template: 5CFE.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 : 1410 -28722 -20.37 -114.89 target 2D structure prediction score : 0.66 Monomeric hydrophicity matching model chain A : 0.86 3D Compatibility (PKB) : -20.37 2D Compatibility (Sec. Struct. Predict.) : 0.66 1D Compatibility (Hydrophobicity) : 0.86 QMean score : 0.603

(partial model without unconserved sides chains): PDB file : Tito_5CFE.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5CFE-query.scw PDB file : Tito_Scwrl_5CFE.pdb: