Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MFKGPDMQAIILDTETHTLNG----L-PIEIAYAPIEINAGKLTLDKSKLFDQLYQVGT--PISYAAMAVHHILESDLENQPHYKTF----KLPDTTTYIIGHNI--------DYDIAA-IARC----GVDVS--HIKPICTLALTRKTWPDAEAHNISALIYMISQGSSKARELLKGAHRADADIILTANILMHIVYHLNIHDIEELYRVSEEARIPTTINFGKHKGTAIAELPKDYIQWLLRQDELDVYLRKALESAF 2XRI Chain:A ((28-214)) ---QRYHYFLVLDFEATCDK-QIHPQEIIEFPILKLNGR----TMEIESTFHMYVQPVVHPQLTPFCTELTGIIQAMVDGQPSLQQVLERVDEWMAKEGLLDPNVKSIFVTCGDWDLKVMLPGQCQYLGLPVADYFKQWINLKKAYSFAMGCWPKNGLLDMNKGLSLQH------IGRPHSGIDDCKNIANIMKTLAYRG------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 2XRI.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 : 681 -21058 -30.92 -131.61 target 2D structure prediction score : 0.48 Monomeric hydrophicity matching model chain A : 0.62 3D Compatibility (PKB) : -30.92 2D Compatibility (Sec. Struct. Predict.) : 0.48 1D Compatibility (Hydrophobicity) : 0.62 QMean score : 0.315

(partial model without unconserved sides chains): PDB file : Tito_2XRI.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2XRI-query.scw PDB file : Tito_Scwrl_2XRI.pdb: