Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MTVKNSPAELSSALVNQRNDVPLIRYSGRFAPSPTGPLHFGSLITAVASYCDARAHQGRWLVRVEDTDIPRIYPGSEDHILASLEAFQFDPDAEI--------IFQKDRLDIYESVLDQLKKEGLVYACQCTRKMLGS----------NAIYAGTCRDLQLD--------FQHQAIRVKVQD-QPICFDDRLQGLHCSNLEHDLGDFVLKRRDGIINYQLAVVADDYLQGITHVVRGADLLDNTERQIWLGQLLGYPKLSYMHLPLAMNDQGQKLSKQNLAHALDLTKA----PELLQQAIQALGQPQVD--L-ARPEVMLKQAVTQWNVDLIPHGQQLCGTYL 4GRI Chain:B ((24-339)) ------------------------STRVRYAPSPTGLQHIGGIRTALFNYFFAKSCGGKFLLRIEDTDQSRYSPEAENDLYSSLKWLGISFDEGPVVGGDYAPYVQSQRSAIYKQYAKYLIESGHAYYCYCSPERLERIKKIQNINKMPPGYDRHCRNLSNEEVENALIKKIKPVVRFKIPLEGDTSFDDILLGRITWANKDISPDPVILKSDGLPTYHLANVVDDYLMKITHVLRAQEWVSSGPLHVLLYKAFKWKPPIYCHLPMVMGNDGQKLSKRHGSTALRQFIEDGYLPEAIINYVTLLGWSYDDKREFFSKNDL----EQFFSIEKINKSPAIFD---

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 B - contact count / total energy / energy per contact / energy per residue : 1240 15958 12.87 57.20 target 2D structure prediction score : 0.59 Monomeric hydrophicity matching model chain B : 0.69 3D Compatibility (PKB) : 12.87 2D Compatibility (Sec. Struct. Predict.) : 0.59 1D Compatibility (Hydrophobicity) : 0.69 QMean score : 0.475

(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: