Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MGRGLHVAVVGATGAVGQQMLKTLEDRNF--EMDTLTLLSSKRSAGTKVTFKGQELTVQEASPESFEGVNIALFSAGGSVSQALAPEAVKRGAIVIDNTSAFRMDENTPLVVPEVNEADLHE--HNGIIANPNCSTIQMVAALEPIRKAYGLNKVIVSTYQAVSGAGNEAVKELYSQTQAILNKEEIEPEIMPVKGDKKHYQIAFNAIPQIDKFQDNGYTFEEMKMINETKKIMHMPDLQVAATCVRLPIQTGHSESVYIEIDRDDATVEDIKNLLKEAPGVTLQDDPSQQLYPMPA-DAVGKNDVFVGRIRKDLDRANGFHLWVVSDNLLKGAAWNSVQIAESLKKLNLV 2HJS Chain:A ((5-338)) --QPLNVAVVGATGSVGEALVGLLDE--RDFPLHRLHLLASAESAGQRMGFAESSLRVGDVDSFDFSSVGLAFFAAAAEVSRAHAERARAAGCSVIDLSGALEPS-VAPPVMVSVNAERLASQAAPFLLSSPCAVAAELCEVLAPLLATLDCRQLNLTACLSVSSLGREGVKELARQTAELLN----AR---PLEPRLFDRQIAFNLLAQVGAVDAEGHSAIERRIFAEVQALLGERIGPLNVTCIQAPVFFGDSLSVTLQCAE-PVDLAAVTRVLDATKGIEWVGE---GDYPTVVGDALGQDETYVGRVRAGQADPCQVNLWIVSDNVRKGAALNAVLLGELLIKHYL-

General information: TITO was launched using: RESULT: Template: 2HJS.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 : 1914 -202896 -106.01 -616.70 target 2D structure prediction score : 0.68 Monomeric hydrophicity matching model chain A : 0.76 3D Compatibility (PKB) : -106.01 2D Compatibility (Sec. Struct. Predict.) : 0.68 1D Compatibility (Hydrophobicity) : 0.76 QMean score : 0.571

(partial model without unconserved sides chains): PDB file : Tito_2HJS.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2HJS-query.scw PDB file : Tito_Scwrl_2HJS.pdb: