Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MAESAGASSFFPLVVLLLAGSGGSGPRGVQALLCACTSCLQANYTCETDGACMVSIFNLDGMEHHVRTCIPKVELVPAGKPFYCLSSEDLRNTHCCYTDYCNRIDLRVPSGHLKEPEHPSMWGPVELVGIIAGPVFLLFLIIIIVFLVINYHQRVYHNRQRLDMEDPSCEMCLSKDKTLQDLVYDLSTSGSGSGLPLFVQRTVARTIVLQEIIGKGRFGEVWRGRWRGGDVAVKIFS-SREERSWFREAEIYQTVMLRHENI---LGFIAADNKDNGTWTQLWLVSDYHEHGSLFDYLNRYTVTIEGM--------IKLALSAASGLAHLHMEIVGTQGKPGIAHRDLKSKNILVKKNGMCAIADLGLAVRHDAVTDTIDIAPNQRVGTKRYMAPEVLDETINMKHFDSFKCADIYALGLVYWEIARRCNSGGVHEEYQLPYYDLVPSDPSIEEMRKVVCDQKLRPNIPNWWQSYEALRVMGKMMRECWYANGAARLTALRIKKTLSQLSVQEDVKI 4XS2 Chain:D ((33-236)) --------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------MGEG--GVVYKGYVNNTTVAVKKLAA--EELKQQFDQEIKVMAKCQHENLVELLGF-SSDGDD------LCLVYVYMPNGSLLDRLS----CLDGTPPLSWHMRCKIAQGAANGINFLH--------ENHHIHRDIKSANILLDEAFTAKISDFGLARASEKFAQ--RI-----VGTTAYMAPEALRGEITPK-------SDIYSFGVVLLEIITGLPAVDEHREPQL-----------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4XS2.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 : 806 -7191 -8.92 -40.40 target 2D structure prediction score : 0.70 Monomeric hydrophicity matching model chain D : 0.58 3D Compatibility (PKB) : -8.92 2D Compatibility (Sec. Struct. Predict.) : 0.70 1D Compatibility (Hydrophobicity) : 0.58 QMean score : 0.124

(partial model without unconserved sides chains): PDB file : Tito_4XS2.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4xs2-query.scw PDB file : Tito_Scwrl_4XS2.pdb: