Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MIVALLAGGHVLFEDIPGVGKTLLVKALAKAVQGTFSRVQCTPDLLPSDILGFSVYNSQSKEFEFRPGPIFTTILLADEINRTTPRTQSALLEAMAENHATIDNNTYPLDNHFFVLATQNPIEYEGTYPLPEAQLDRFLFRLQIGYPSFDDELLLLLDKFEKVLDNLNEVLNSYEIEEIKTNVANVFVSPEVASYALQLVSATRSHAAIQLGISPRGSLSFIQAAKAYALIHGRNYVTPKDLQDLVPYVFSHRLIFYDRSLKEDEKKQIIHTLVAQIPIPVR 5IFW Chain:B ((515-565)) ----------VLFYGPPGCGKTLLAKAIANECQANFISIK-GPELL--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 5IFW.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 : 32 -6396 -199.86 -182.73 target 2D structure prediction score : 0.69 Monomeric hydrophicity matching model chain B : 0.52 3D Compatibility (PKB) : -199.86 2D Compatibility (Sec. Struct. Predict.) : 0.69 1D Compatibility (Hydrophobicity) : 0.52 QMean score : 0.707

(partial model without unconserved sides chains): PDB file : Tito_5IFW.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5IFW-query.scw PDB file : Tito_Scwrl_5IFW.pdb: