Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MTNLNLNINQNDVELIPENHPESQEPVVGAEILIEQLYKFYGEVKVLEDLNLHIQPGEFLAIVGRSGCGKSTLLRLIAQLEKASFGEI-------KFKSARHLREGITNDDIRVMFQDPRLLPWRNILQNVQLGLP-------------KSQHALAEELLEKVGLKEKAGQWPSQLSGGQRQRTALARALSHTPRILLLDEPLGALDALTRLEMQSLIERLWKEQGFTAILVTHDVSEAVQLADRIILLDKGQIAQSFQVNLPRPRKKSITFAQLEQQVLDAVLAT 1XEF Chain:C ((18-217)) ---------------------------------------------ILDNINLSIKQGEVIGIVGRSGSGKSTLTKLIQRFYIPENGQVLIDGHDLALADPNWLRR-----QVGVVLQDNVLLN-RSIIDNISLANPGMSVEKVIYAAKLAGAHDFISELRE--GYNTIVGEQGAGLSGGQRQRIAIARALVNNPKILIFDEATSALDYESEHVIMRNMHKICK--GRTVIIIAARLS-TVKNADRIIVMEKGKIVE------------------------------

General information: TITO was launched using: RESULT: Template: 1XEF.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain C - contact count / total energy / energy per contact / energy per residue : 768 -3031 -3.95 -16.84 target 2D structure prediction score : 0.64 Monomeric hydrophicity matching model chain C : 0.71 3D Compatibility (PKB) : -3.95 2D Compatibility (Sec. Struct. Predict.) : 0.64 1D Compatibility (Hydrophobicity) : 0.71 QMean score : 0.464

(partial model without unconserved sides chains): PDB file : Tito_1XEF.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1XEF-query.scw PDB file : Tito_Scwrl_1XEF.pdb: