Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MVKVEVKHLTKIFGKKTQAALDMMNDHQPKTEILKKTGATVGVYDVNFDVKEGEIFVIMGLSGSGKSTLIRLLNRLIEPTSGSIYIDGEDVSKLSKEELREVRRHKINMVFQNFGLFPHRTILENTEYGLEVRGVPKEERQEKAEKALENSSLLSFKDQY-------PSQLSGGMQQRVGLARALANDPEILLMDEAFSALD----PLIRREMQDELLDLQANVQKTIIFITHDLNEALRIGDRIALMKDGEIMQIGTGEEILTNPANDYVREFVEEVDRSKVLTAQNIMVPALTTNIESDGPNVALTRMRNEEVSMLMAVDRKRHLKGIITADQALEARKQKRPLIDFLDENVTVIGKDMVVSDIFNIIYDSPTPLAVVEDGKLKGVVIRGSVIEALAETSEVSEHE 2FF7 Chain:A ((27-238)) --------------------------------------------NINLSIKQGEVIGIVGRSGSGKSTLTKLIQRFYIPENGQVLIDGHDLALADPNWLRR----QVGVVLQDNVLL-NRSIIDNIS--LANPGMSVEKVIYAAKLAGAHDFISELREGYNTIVGEQGAGLSGGQRQRIAIARALVNNPKILIFDEATSALDYESEHVIMRNMH------KICKGRTVIIIAHRLS-TVKNADRIIVMEKGKIVEQGKHKELLSEPESLY------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 2FF7.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 : 945 -40176 -42.51 -199.88 target 2D structure prediction score : 0.57 Monomeric hydrophicity matching model chain A : 0.67 3D Compatibility (PKB) : -42.51 2D Compatibility (Sec. Struct. Predict.) : 0.57 1D Compatibility (Hydrophobicity) : 0.67 QMean score : 0.456

(partial model without unconserved sides chains): PDB file : Tito_2FF7.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2FF7-query.scw PDB file : Tito_Scwrl_2FF7.pdb: