Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MAESAGASSFFPLVVLLLAGSGGSGPRGVQALLCACTSCLQANYTCETDGACMVSIFNLDGMEHHVRTCIPKVELVPAGKPFYCLSSEDLRNTHCCYTDYCNRIDLRVPSGHLKEPEHPSMWGPVELVGIIAGPVFLLFLIIIIVFLVINYHQRVYHNRQRLDMEDPSCEMCLSKDKTLQDLVYDLSTSGSGSGLPLFVQRTVARTIVLQEIIGKGRFGEVWRGRWR--GGDVAVKIFSSREERSWF-----REAEIYQTVMLRHENILGFIAADNKDNGTWTQ-LWLVSDYHEH---GSLFDYLNRYTVT-IEGMIKLALSAASGLAHLHMEIVGTQGKPGIAHRDLKSKNILVKKNGMCAIADLGLAVRHDAVTDTIDIAPNQ--RVGTKRYMAPEVLDETINMKHFDSFKCADIYALGLVYWEIARRCNSGGVHEEYQLPYYDLVPSDPSIEEMRKVVCDQKLRPNIPNWWQSYEALRVMGKMMRECWYANGAARLTALRIKKTLSQLSVQEDVKI 3BLR Chain:A ((26-206)) --------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------IGQGTFGEVFKARHRKTGQKVALKKVLMENEKEGFPITALREIKILQ--LLKHENVVNLIEICRT-------SIYLVFDFCEHDLAGLLSNVLVKFTLSEIKRVMQMLLN---GLYYIH--------RNKILHRDMKAANVLITRDGVLKLADFGLA---RAFSLA----PNRYNRVVTLWYRPPELL-----------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3BLR.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 : 557 -12438 -22.33 -84.61 target 2D structure prediction score : 0.57 Monomeric hydrophicity matching model chain A : 0.58 3D Compatibility (PKB) : -22.33 2D Compatibility (Sec. Struct. Predict.) : 0.57 1D Compatibility (Hydrophobicity) : 0.58 QMean score : 0.074

(partial model without unconserved sides chains): PDB file : Tito_3BLR.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3blr-query.scw PDB file : Tito_Scwrl_3BLR.pdb: