Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence -------------MLINPIEL-LKEKVSSTILNNQDGYLGEKTNALSKFYPILLSLLAAKPDLIGQLKNSLAHSLSDLFSHNEQIKNTVLTHLSGTAPNNEIENTLNSALKPSLNAISDVAGNDQQSIVNYLRQHAETIRSYLPGWAVGLLAPLGIGAGLSSVTSSTAPPLAAATETTGKSRGFLPIIALIILGLLIAWLWRSCQHKEATPAPETKAASGVEAAAAPATLTLSTDDKGAVSQCQAGIGDQGFLATLQTQVKQVFSATKDCDVDTSQTYAAAFTDKDALAGVLGALKGIPNASLEWVGDKITLKAGDAAALEALTAKVKALVPHTEVVATAPET-AEQSVSNSLSASQTALTAIDPNNVDENALVKALNLQI--INFASGSSDIPADNKAILDQAATLLNKVSG-VKLDVGGHTDSTGNAAANKALSQRRAQAVVDYLVSKGVDASKLVAKGHGSEQPVADNTTEEGRFKNRRIEFSVAQ- 5JIR Chain:A ((9-421)) AVHTDAVQDWKNGTINAQLTLDLARARMRLPADRTAASQFLRYKAPAQLKDVYLSVLVDSQNRVGDCLAHEKIRLADITALVDAGHHAVTTLSPSV-------RSLQLSHQTPLTALARLFVTHETAYVPAIPPTSAVSRPYT-----GILID---------------------------ARGSLPVHGEYVSEPLSACLFPKIWSTDMDLIYEKNMVHPDRAKAWGVVRYGSVWD------------EKMYRDRIGTTPLKIIAR-----------------------GVFGQQRTDPIIA-SKDAAQILARPENLRLLAE--GNVIILCDEAALRVHVPYPLVDEHFYFAYHDVKRFLTDERSPGVGVRSGINTLKITVYDVRFVANSPEILASEKDRVDVIATALKKMGPYTRFLIEGHTADLHRPQEEAALSVARAQRMAQELSRRGIEMTRITTAGHGATKPIAPSDTHANKAKNRRVEITILRD

General information: TITO was launched using: RESULT: Template: 5JIR.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 : 1961 88819 45.29 225.43 target 2D structure prediction score : 0.46 Monomeric hydrophicity matching model chain A : 0.68 3D Compatibility (PKB) : 45.29 2D Compatibility (Sec. Struct. Predict.) : 0.46 1D Compatibility (Hydrophobicity) : 0.68 QMean score : 0.250

(partial model without unconserved sides chains): PDB file : Tito_5JIR.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5JIR-query.scw PDB file : Tito_Scwrl_5JIR.pdb: