Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSQLKPQEVVRLGDIQMANHLPFVLFGGMNVLESKDLAFEIAETYIDICKRL-DIPYVFKASFDKANRSSLHSFRGPGLEKGIEWLGDIKKHFNVPIITDVHEPYQAAPVAEVADIIQLPAFLSRQTDLVEAMAKTQAIINIKKAQFLAPHEMRHILHKCLEVGNDKLILCERGSAFGYNNLVVDMLGFDIMKEMNVPVFFDVTHALQTPGGRSDSAGGRRAQITTLARAGMATGLAGLFLESHPDPDKAKCDGPSALRLSQLEPFLAQLKELDTLVKGFKKLDTH 2NWR Chain:B ((4-253)) ----------------------FLVIAGPNAIESEELLLKVGEEIKRLSEKFKEVEFVFKSSFDKANRSSIHSFRGHGLEYGVKALRKVKEEFGLKITTDIHESWQAEPVAEVADIIQIPAFLCRQTDLLLAAAKTGRAVNVKKGQFLAPWDTKNVVEKLKFGGAKEIYLTERGTTFGYNNLVVDFRSLPIMKQW-AKVIYDATHSVQLPG-------GMREFIFPLIRAAVAVGCDGVFMETHPEPEKALSDASTQLPLSQLEGIIEAILEI-------------

General information: TITO was launched using: RESULT: Template: 2NWR.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 : 1407 -6715 -4.77 -27.75 target 2D structure prediction score : 0.67 Monomeric hydrophicity matching model chain B : 0.84 3D Compatibility (PKB) : -4.77 2D Compatibility (Sec. Struct. Predict.) : 0.67 1D Compatibility (Hydrophobicity) : 0.84 QMean score : 0.541

(partial model without unconserved sides chains): PDB file : Tito_2NWR.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2NWR-query.scw PDB file : Tito_Scwrl_2NWR.pdb: