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:B ((52-410)) ---------------EIIIGICRKNIPGWKEINESYIEVKQIFSGLTNQLFVVSIVNE-LKHPRILFRIYGKHV--FYDSKVELDVFR-----YLSNINIA-PNIIADFPEG------------RIEEFIDGEPLTTKQLQLTHICVEVAKNMGSLHIINSKRADFPSRFDKEPILFKRIYLWREEAKIQVSKN---N-QIDKELYSKILEEIDQLEELIMGGEKFSMERALELKLYSPAFSLVFAHNDLQENNLLQTQ--NNIRMIDYEYSAINFAGADIANYFCEYIYDYCSEKQPYFKFKYEDYPCEELRKLFISVYLSQTLQEQ---------------------VMPSQQIVHIMTKAVEVFTLISHITWGLWSIA-----SVEFDFTEYANTRFTHYLQKKKELI

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 B - contact count / total energy / energy per contact / energy per residue : 1338 -89332 -66.77 -287.24 target 2D structure prediction score : 0.66 Monomeric hydrophicity matching model chain B : 0.67 3D Compatibility (PKB) : -66.77 2D Compatibility (Sec. Struct. Predict.) : 0.66 1D Compatibility (Hydrophobicity) : 0.67 QMean score : 0.343

(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: