Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MQLISLPKQILQCGQLQLDLSQPHVMGILNVTPDSFSDGGKHNQ-LDQAVDHALSMIEQ-----GATIIDIGGESTRPGASEVAVEEEVRRVVPVVEALSHH------NVILSIDTSQPEVIRAAKAAGAHIWNDVRALT-GPNALKTAVEL-DIPVVIMHMRGEPTTMNQLDQYT----------------------------DVTLDVMQELQQRIDEALAAGVKKHNIIVDPGFGFAKNAQQNLKLLKEFWKLNE----------------LGYPILSGLSRKRFIGEALQGAPADQRAVGSVTGHLLSIQQGASIVRAHDVKEMHEAILVWKAMQQA 2BMB Chain:A ((220-542)) -----------------ITVSPTYIMAIFNATPDSFSDGGEHFADIESQLNDIIKLCKDALYLHESVIIDVGGCSTRPNSIQASEEEEIRRSIPLIKAIRESTELPQDKVILSIDTYRSNVAKEAIKVGVDIINDISGGLFDSNMFAVIAENPEICYILSHTRGDISTMNRLAHYENFALGDSIQQEFVHNTDIQQLDDLKDKTVLIRNVGQEIGERYIKAIDNGVKRWQILIDPGLGFAKTWKQNLQIIRHIPILKNYSFTMNSNNSQVYVNLRNMPVLLGPSRKKFIGHITKDVDAKQRDFATGAVVASCIGFGSDMVRVHDVKNCSKSIKLADAIYK-

General information: TITO was launched using: RESULT: Template: 2BMB.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 : 1317 8329 6.32 31.43 target 2D structure prediction score : 0.71 Monomeric hydrophicity matching model chain A : 0.76 3D Compatibility (PKB) : 6.32 2D Compatibility (Sec. Struct. Predict.) : 0.71 1D Compatibility (Hydrophobicity) : 0.76 QMean score : 0.496

(partial model without unconserved sides chains): PDB file : Tito_2BMB.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2BMB-query.scw PDB file : Tito_Scwrl_2BMB.pdb: