Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MAESAGASSFFPLVVLLLAGSGGSGPRGVQALLCACTSCLQANYTCETDGACMVSIFNLDGMEHHVRTCIPKVELVPAGKPFYCLSSEDLRNTHCCYTDYCNRIDLRVPSGHLKEPEHPSMWGPVELVGIIAGPVFLLFLIIIIVFLVINYHQRVYHNRQRLDMEDPSCEMCLSKDKTLQDLVYDLSTSGSGSGLPLFVQRTVARTIVLQEIIGKGRFGEVWRGRWRGGDVAVKIFS-SREERSWFREAEIYQTVMLRHENI---LGFIAADNKDNGTWTQLWLVSDYHEHGSLFDYLNRYTVTIEGM--------IKLALSAASGLAHLHMEIVGTQGKPGIAHRDLKSKNILVKKNGMCAIADLGLAVRHDAVTDTIDIAPNQRVGTKRYMAPEVLDETINMKHFDSFKCADIYALGLVYWEIARRCNSGGVHEEYQLPYYDLVPSDPSIEEMRKVVCDQKLRPNIPNWWQSYEALRVMGKMMRECWYANGAARLTALRIKKTLSQLSVQEDVKI 4U9A Chain:B ((44-247)) --------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------MGEGGFGVVYKGYVNNTTVAVKKLAA----LKQQFDQEIKVMAKCQHENLVELLGF-SS---D------LCLVYVYMPNGSLLDRLS----CLDGTPPLSWHMRCKIAQGAANGINFLH--------ENHHIHRNIKSANILLDEAFTAKISDF--------------VMTSRIVGTTAYMAPEALRGEITPK-------SDIYSFGVVLLEIITGLPAVDEHREPQL-----------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4U9A.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 : 716 -16594 -23.18 -98.19 target 2D structure prediction score : 0.67 Monomeric hydrophicity matching model chain B : 0.57 3D Compatibility (PKB) : -23.18 2D Compatibility (Sec. Struct. Predict.) : 0.67 1D Compatibility (Hydrophobicity) : 0.57 QMean score : 0.110

(partial model without unconserved sides chains): PDB file : Tito_4U9A.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4u9a-query.scw PDB file : Tito_Scwrl_4U9A.pdb: