Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKDDYILIVDDELPIREMIHTSLDMAGFQCLQAEDAKQAHQIIVDQRPALILLDWMLPGGVSGVDLCRRLKRDENLAEIPVLMLTARGEEDHKVQGLDAGADDYMTKPFSTRELVSRIKAVLRRANALSGEKTIDANGLILDPVSQRVSFGNSILDMGPTEYRLLAFFMTHPERAYTRAQLLDQVWGGNVYIEDRTIDVHIRRLRKVLEPFGVDRFVQTVRGTGYRFSTRADLAAG 2JBA Chain:B ((5-122)) -----ILVVEDEAPIREMVCFVLEQNGFQPVEAEDYDSAVNQLNEPWPDLILLAWMLPGG-SGIQFIKHLKRESMTRDIPVVMLTARGEEEDRVRGLETGADDCITKPFSPKELVARIKAVMRR----------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 2JBA.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 535 -92406 -172.72 -783.10 target 2D structure prediction score : 0.71 Monomeric hydrophicity matching model chain B : 0.69 3D Compatibility (PKB) : -172.72 2D Compatibility (Sec. Struct. Predict.) : 0.71 1D Compatibility (Hydrophobicity) : 0.69 QMean score : 0.617

(partial model without unconserved sides chains): PDB file : Tito_2JBA.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2JBA-query.scw PDB file : Tito_Scwrl_2JBA.pdb: