Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MFHISTLDQIKIAYIGGGSQGWARSLMSDLSIDERMSGTVALYDLDFEAAQKNEVIGNHSGNGRWRYEAVSTLKKALSAADIVIISILPGSLDDMEVDVHLPERCGIYQSVG-DTVGPGGIIRGLRAVPIFAEIARAIRDYAPESWVINYTNPMSVCTRVLYKVFPGIKAIGCCHEVFGTQKLLAEMVTERLGIEVPRREDIRVNVLGINHFTWITKASYRH-IDLLPIFREFSAHYG---ESGYELEGECWRDSVFCSAHRVAFDLFETYGAIPAAGDRHLAEFLPGPYLKQ---PEVWKFHLTPISFRKQDRAEKRQ-----ETERLIVQQRGVAEKASGEEGVNIIAAL-----LGLGELVTNVNMPNQGQVLNLPIQAIVETNAFITRNRVQPILSGALPKGVEMLAARHISNQEAVADAGLTKDTGLAFQAFLNDPLVQIDRSDAEQLFNDMLQCIMQS 1U8X Chain:X ((90-435)) ------------------------------------------------------------------FAATTDPEEAFTDVDFVMAHIRVGKYAMRALDEQIPLKYGV---VGQETCGPGGIAYGMRSIGGVLEILDYMEKYSPDAWMLNYSNPAAIVAEATRRLRPNSKILNICDMPVGIEDRMAQI----LGLS--SRKEMKVRYYGLNHFGWWTSIQDQEGNDLMPKLKEHVSQYGYIPKT-------SWNDT-FAKARDV------------QAAD---PDTLPNTYLQYYLFPDDMVKKSNPNHTRANEVMEGREAFIFSQCDMITREQSSENSEIKIDDHASYIVDLARAIAYNTGERMLLI-VENNGAIANFDPTAMVEVPCIVGSNGPEPITVGTIPQFQKGLMEQQVSVEKLTVEAWAEKSFQKLWQALI--------------------------

General information: TITO was launched using: RESULT: Template: 1U8X.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain X - contact count / total energy / energy per contact / energy per residue : 1525 -121096 -79.41 -377.25 target 2D structure prediction score : 0.59 Monomeric hydrophicity matching model chain X : 0.68 3D Compatibility (PKB) : -79.41 2D Compatibility (Sec. Struct. Predict.) : 0.59 1D Compatibility (Hydrophobicity) : 0.68 QMean score : 0.476

(partial model without unconserved sides chains): PDB file : Tito_1U8X.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1U8X-query.scw PDB file : Tito_Scwrl_1U8X.pdb: