Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MTKLIFMGTPDFSATVLKGLLTDDRYEILAVVTQPDRAVGRKKVIQETPVKQAAKEAGLSIYQPEKLSGSPEMEDLMKLGADGIVTAAFGQFLPSKLLDSMDF-AVNVHASLLPRHRGGAPIHYALIQGDEEAGVTIMEMVKEMDAGDMISRRSIPITDEDNVGTLFEKLALVGRDLLLDTLPAYIAGDIKPEPQDTSQVTFSPNIKSEEEKLNWNKTNRQLFNQIRGMNPWPVAHTFLKGDRFKIYEA--LPVEGQGNPGEILSIGKKELIVATAEGALSLKQVQPAGKPKMDIASFLNGVGRTLTVGERFGD 3R8X Chain:A ((9-305)) --RIIFAGTPDFAARHLGALLSS-QHKIVGVFTQPDRP------LTPSPVKILAEHHGIPVFQPKSLRPEENQHLVADLNADIMVVVAYGLILPAAVLAMPRLGCINVHGSLLPRWRGAAPIQRSVWAGDEKTGITIMQMDIGLDTGAMLHKIECAIQPEDTSATLYDKLAQLGPQGLLITLQQLAAGTALAEVQNETQATYAEKLSKEEAKLDWTLSATQLERCIRAFNPWPVSYFIVDEQPIKVWQAQVLPAGEDAEPGTIIHADKHGIQVATADGVLNITQLQPAGKKAMSAADLLN--------------

General information: TITO was launched using: RESULT: Template: 3R8X.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 : 1554 -89222 -57.41 -309.80 target 2D structure prediction score : 0.60 Monomeric hydrophicity matching model chain A : 0.79 3D Compatibility (PKB) : -57.41 2D Compatibility (Sec. Struct. Predict.) : 0.60 1D Compatibility (Hydrophobicity) : 0.79 QMean score : 0.504

(partial model without unconserved sides chains): PDB file : Tito_3R8X.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3R8X-query.scw PDB file : Tito_Scwrl_3R8X.pdb: