Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MRTVAAPAPALAEVACFSRDLCKELVKEWSSLDSSCFSISTVSGGITNMLLKVSVKEGSDSESSVTVRLYGPNTDLVIDRERELQGSGLGYLEYLRMEWFRHSSMLGHYHLQVYTQRLLFCTHRCMETGEPAINASANNMKEPRIAAEIAKQLQKFHQVDIPGSKE-------PQLWNDIFKFLKKASVLKFEDNEKQKRYETISFREIQDEVKELKD----------------LSDLLHAPVVFAHNDLLSGNLMLNDLEEKLYFIDFEYGSYSYRGFDIANHFNEYAGFEC---------DYNLYPDKDVQYHFFRNYLSDRPSELKNRLFASICEKRNVGYLAFVQYKVQEQDLDDLYTETNTFRLASHLYWALWALIQARVSPIDFDYLGYFFLRRHVVPNRKLYNL 3MES Chain:A ((52-410)) ---------------EIIIGICRKNIPGWKEINESYIEVKQIFSGLTNQLFVVSIVNE-LKHPRILFRIYGKHV-KFYDSKVELDVFR-----YLSNINIA-PNIIADFPEG------------RIEEFIDGEPLTTKQLQLTHICVEVAKNMGSLHIINSKRADFPSRFDKEPILFKRIYLWREEAKIQVSKN---N--IDKELYSKILEEIDQLEELIMGGEKFSMERALELKLYSPAFSLVFAHNDLQENNLLQTQ--NNIRMIDYEYSAINFAGADIANYFCEYIYDYCSEKQPYFKFKYEDYPCEELRKLFISVYLSQTLQEQ---------------------VMPSQQIVHIMTKAVEVFTLISHITWGLWSIA------VEFDFTEYANTRFTHYLQKKKELI

General information: TITO was launched using: RESULT: Template: 3MES.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 : 1335 -96532 -72.31 -311.39 target 2D structure prediction score : 0.63 Monomeric hydrophicity matching model chain A : 0.67 3D Compatibility (PKB) : -72.31 2D Compatibility (Sec. Struct. Predict.) : 0.63 1D Compatibility (Hydrophobicity) : 0.67 QMean score : 0.324

(partial model without unconserved sides chains): PDB file : Tito_3MES.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3mes-query.scw PDB file : Tito_Scwrl_3MES.pdb: