Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MAESAGASSFFPLVVLLLAGSGGSGPRGVQALLCACTSCLQANYTCETDGACMVSIFNLDGMEHHVRTCIPKVELVPAGKPFYCLSSEDLRNTHCCYTDYCNRIDLRVPSGHLKEPEHPSMWGPVELVGIIAGPVFLLFLIIIIVFLVINYHQRVYHNRQRLDMEDPSCEMCLSKDKTLQDLVYDLSTSGSGSGLPLFVQRTVARTIVLQEIIGKGRFGEVWRGRWRGGDVAVKIFS-SREERSWFREAEIYQTVMLRHENI---LGFIAADNKDNGTWTQLWLVSDYHEHGSLFDYLNRYTVTIEGM--------IKLALSAASGLAHLHMEIVGTQGKPGIAHRDLKSKNILVKKNGMCAIADLGLAVRHDAVTDTIDIAPNQRVGTKRYMAPEVLDETINMKHFDSFKCADIYALGLVYWEIARRCNSGGVHEEYQLPYYDLVPSDPSIEEMRKVVCDQKLRPNIPNWWQSYEALRVMGKMMRECWYANGAARLTALRIKKTLSQLSVQEDVKI 5W84 Chain:A ((37-240)) --------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------MGEGGFGVVYKGYVNNTTVAVKKL-ITT---KQQFDQEIKVMAKCQHENLVELLGF-SSDGDD------LCLVYVYMPNGSLLDRLS----CLDGTPPLSWHMRCKIAQGAANGINFLH--------ENHHIHRDIKSANILLDEAFTAKISDFGLARASEKFAQ--RI-----VGTTAYMAPEALRGEITPK-------SDIYSFGVVLLEIITGLPAVDEHREPQL-----------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 5W84.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 : 820 -4453 -5.43 -25.01 target 2D structure prediction score : 0.63 Monomeric hydrophicity matching model chain A : 0.58 3D Compatibility (PKB) : -5.43 2D Compatibility (Sec. Struct. Predict.) : 0.63 1D Compatibility (Hydrophobicity) : 0.58 QMean score : 0.115

(partial model without unconserved sides chains): PDB file : Tito_5W84.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5w84-query.scw PDB file : Tito_Scwrl_5W84.pdb: