Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence METIIIALIAFIIGIIAIPIVLFAWIYIKDEKQQEHSILRNYPVIGRFRYILEKIGPELRQYLYSNDNEEQPFSRKEYEQTVISGKYKSRMMGFGSVRDFDKPGYYIRNAMFPKQREEMHVNQTPKIETQIYKMDADNLFKRKEHAEHIKADPYFLHPDDVQVIGEHTCEKPFYVKGLVGQSAMSYGSLGERAVTALSKGLHLAGGTWMNTGEGGLSEYHLKGGADIICQIGPGLFGVRKRNGEFSWEEFKRKSRIDQIKAFELKLAQGAKTRGGHVDGAKVSEEVADIRNVEPGKSIDSPNRFYEFSNPPEMLDFIEKLRDVGQKPVGIKLVAGHPEELHELFSHMQKSGKHPDFITIDGSEGGTGASFYELADTVGLPIMTALPIVDTLLKQYGLRSQLKIFASGKLLTPDKIAVALALGADFVNIARGMMFSVGCIRALVCH---TNTCPAGVATTDPKLQKALSVEEKQH------RVCNYVISLREGLFNLAAAAGINSPIHFSKE-HVVYRKEDGSIINIDNLIHQFVS 3FFS Chain:A ((170-379)) ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------LNIIRTLKEIKSKMNIDVIVGNVVT-----EEATKELI--ENGADGIKV-GI----------IVAGVGVPQITAIEKCSSVASK----FGIPIIADGGIRYSGDIGKALAVGASSVMIGSILAGTEESPGEKELIGDTVYKY----------------------RVKYKGEMEGVVYQLVGGLRSCMGYLGSASIEELWKKSSYVEITTS---------------

General information: TITO was launched using: RESULT: Template: 3FFS.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 : 566 -89539 -158.20 -573.96 target 2D structure prediction score : 0.62 Monomeric hydrophicity matching model chain A : 0.57 3D Compatibility (PKB) : -158.20 2D Compatibility (Sec. Struct. Predict.) : 0.62 1D Compatibility (Hydrophobicity) : 0.57 QMean score : 0.444

(partial model without unconserved sides chains): PDB file : Tito_3FFS.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3FFS-query.scw PDB file : Tito_Scwrl_3FFS.pdb: