Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MTVKNSPAELSSALVNQRNDVPLIRYSGRFAPSPTGPLHFGSLITAVASYCDARAHQGRWLVRVEDTDIPRIYPGSEDHILASLE--AFQFDP------DAEIIFQKDRLDIYESVLDQLKKEGLVYACQCT-------RKMLGSNAIYAGT---CRDLQLDFQHQAIRVKVQ---------DQPICFDDRLQGLHCSNLEHDLG-DFVLKRRDGIINYQLAVVADDYLQGITHVVRGADLLDNTERQIWLGQLLGYPKLSYMHLPLAMNDQGQKLSKQNLAHALDLTKAPELLQQAIQALGQPQVDLARPEVMLKQAVTQWNVDLIPHGQQLCGTYL 4GRI Chain:A ((28-293)) ----------------------------RYAPSPTGLQHIGGIRTALFNYFFAKSCGGKFLLRIEDTDQSRYSPEAENDLYSSLKWLGISFDEGPVVGGDYAPYVQSQRSAIYKQYAKYLIESGHAYYCYCSPERLERIKKIQNINKMPPGYDRHCRNLSNEEVENALIKKIKPVVRFKIPLEGDTSFDDILLG-RITWANKDISPDPVILKSDGLPTYHLANVVDDYLMKITHVLRAQEWVSSGPLHVLLYKAFKWKPPIYCHLPMVMGNDGQKLSKRHGSTAL-----------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4GRI.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 : 928 8612 9.28 37.77 target 2D structure prediction score : 0.53 Monomeric hydrophicity matching model chain A : 0.69 3D Compatibility (PKB) : 9.28 2D Compatibility (Sec. Struct. Predict.) : 0.53 1D Compatibility (Hydrophobicity) : 0.69 QMean score : 0.404

(partial model without unconserved sides chains): PDB file : Tito_4GRI.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4GRI-query.scw PDB file : Tito_Scwrl_4GRI.pdb: