Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKFKELELSPELLKSVERAGFEEATPIQAETIPLALAGKDVIGQAQTGTGKTAAFGLPMLEKIDPDRHEL-----QGLVIAPTRELAIQTQEELYRLGRDKKVRVQAVYGGADIGRQIRGLKDRPHIVVGTPGRMLDHINRHTLKLGTVQTLVLDEADEMLNMGFLEDIEKIISQVP--DQRQTLLFSATMPPAIKNIGVKFMKNPHHVKIKAKEMTADLIDQYYVRAKEYEKFDIMTRLFDVQTPELTIVFGRTKRRVDELARGLEARGYRAEGIHGDLSQQKRMSVLRSFKSGHLDILVATDVAARGLDISGVTHVYNYDIPQDPESYVHRIGRTGRAGKGGMSVTFVTPNEMDYLHVIENLTKKRMTTLRPPTEKEAFKGQLGAAVEQIETKLAENGLDKYLQTADKLLEEYSAQDLVALLLKTTAKDPADAVPVKITPERPLPMQKKGYNKNGKRGGGNNRNRRDGGNYRGNKSKGGYSKNNNSQKDGGKRHNDKKRGFVIRSNND 2DB3 Chain:D ((58-406)) --FTSADLRDIIIDNVNKSGYKIPTPIQKCSIPVISSGRDLMACAQTGSGKTAAFLLPILSKLLEDPHELELGRPQVVIVSPTRELAIQIFNEARKFAFESYLKIGIVYGGTSFRHQNECITRGCHVVIATPGRLLDFVDRTFITFEDTRFVVLDEADRMLDMGFSEDMRRIMTHVTMRPEHQTLMFSATFPEEIQRMAGEFLKNYVFVAIGIVGGACSDVKQTIYEVNKYAKRSKLIEILSEQA-DGTIVFVETKRGADFLASFLSEKEFPTTSIHGDRLQSQREQALRDFKNGSMKVLIATSVASRGLDIKNIKHVINYDMPSKIDDYVHRIGRTGRVGNNGRATSFFDP--------------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 2DB3.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain D - contact count / total energy / energy per contact / energy per residue : 1934 23121 11.95 67.60 target 2D structure prediction score : 0.68 Monomeric hydrophicity matching model chain D : 0.76 3D Compatibility (PKB) : 11.95 2D Compatibility (Sec. Struct. Predict.) : 0.68 1D Compatibility (Hydrophobicity) : 0.76 QMean score : 0.602

(partial model without unconserved sides chains): PDB file : Tito_2DB3.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2DB3-query.scw PDB file : Tito_Scwrl_2DB3.pdb: