Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKIFSTNTCPVPNDLESVIHHKDEVPAELCGMSEQQVQKIWKSIESLYKTGNYPLITFCLRRQGKILLNRSIGYAQGNSPAGLQENALIATPDTPVCLFSASKMITAMLIHLLDEKGEINLLDPVSYYIPEYGVN---GKRRATIFHLLSHRGGIPYVDGDVT--PELLFDKDEILRRLYAARPVSPAGNHLAYHAVTAGYILGEIIERVTGQDLRKFVHETIEKPMDMPYFNYGLKPEYRAEVALNCATGLHPRLGTDHYLNHVLGGGLQLAVDVTNDSRFMDTICPAGNIYTSAEQAGRFFEMLLSGGSYQGKQILSEKTIFRATLPTTGVNIDRTLLIPMRYALGPMLGSNPVGLFGPMTGQAFGHLGFS---NILCWADPERDISVSLLTTGKSVVGTHLPALANLLYQISIQCPRIPRDQRRSLFGSDSHETDLV 4GDN Chain:A ((6-329)) ------------------------------RLTNDSQQQIDKIIEHDLQKGHIPGASILIVKNGKVFLNKGYGYQDVDK-------KVKASPTTKYEIASNTKAFTGLAILKLAQEGRLNLNDDVSKHVPHFKMNYNGQNETITIKQLLAQTSGIPSDITSEDAVTNKNNRLNDVTRAIMGDELHHKPGEEFEYSNMNY-DLLGLIIQNVTKQSYTKYITNSWLKPLHMTHTSFKQTNNKSKHDAIGYELQGST--------------------PVVSKPEFNLWDTPSAYMMTSTEDLEHWIKFQLNPPDK------YKSLVQQSHKNLSSTIG---EPNANAYASGWFTNN---------DEHLVFHSGTLDNFSSFILLNPKQNYGIVVLANLNSEY----------------------------------------

General information: TITO was launched using: RESULT: Template: 4GDN.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 : 1720 -29425 -17.11 -93.12 target 2D structure prediction score : 0.58 Monomeric hydrophicity matching model chain A : 0.67 3D Compatibility (PKB) : -17.11 2D Compatibility (Sec. Struct. Predict.) : 0.58 1D Compatibility (Hydrophobicity) : 0.67 QMean score : 0.466

(partial model without unconserved sides chains): PDB file : Tito_4GDN.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4GDN-query.scw PDB file : Tito_Scwrl_4GDN.pdb: