Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKKTMSAITAAAAVTSCFTGFGAASFSAPAKAAAQTNTLSENTNQSAAELVKNLYNTAYKGEMPQQAQGLTINKSTKGDVHAAFGEPERPVGGDNRFDLYHWNMGQ---PGYGFSYH-KDMTISEIRYFGTGVER---------QLNLGGVTPEVLQKQLG-PVNRVLTVPFTDEIDYVYDTGRYELHFVIGTDQTADHVNLKAK 3GMX Chain:B ((13-105)) ----------------------------------------------------------------------QFG-MDRTLVWQLAGADQSCSD-QVERIIC-YNNPDHYGPQGHFFFNAADK-LIHKRQMELFPAPKPTMRLATYNKTQTGMTEAQFWAAVPSDTCSA--------------------------------------

General information: TITO was launched using: RESULT: Template: 3GMX.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 : 235 -19942 -84.86 -252.43 target 2D structure prediction score : 0.66 Monomeric hydrophicity matching model chain B : 0.55 3D Compatibility (PKB) : -84.86 2D Compatibility (Sec. Struct. Predict.) : 0.66 1D Compatibility (Hydrophobicity) : 0.55 QMean score : 0.270

(partial model without unconserved sides chains): PDB file : Tito_3GMX.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3GMX-query.scw PDB file : Tito_Scwrl_3GMX.pdb: