Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MIQKHAIPILEFDDNPQAVIMPNHEGLDLQLPKKCVYAFLGEEIDRYAREVGANCVGEFVSATKTYPVYVINYKGEEVCLAQAPVGSAPAAQFMDWLIGYGVEQIISTGTCGVLAD-IEENAFLVPVRALRDEGASYHYVAPCRYMEMQPEAIAAIEEVLEDRGIPYEEVMTWTTDGFYRETA-----------EKVAYRKEEGCAVVEMECSALAAVAQLRGVLWGELLFTADSLADLD-QYDSRDWGSEAF-NKALELSLASVHHL 3QPB Chain:C ((38-275)) ------------------------QIRPGDVGRYVIMPGDPKRCAKIAEHFDNAVL---VADSREYVTYTGTLNGEKVSVTSTGIGGPSASIAMEELKLCGADTFIRVGTCGGIELDVKGGDIVIATGAIRMEGTSKEYAPIEFPAVADLEVTNALVNAAKKLGYTSHAGVVQCKDAFYGQHEPERMPVSYELLNKWEAWKRLGTKASEMESAALFVAASHLGVRCGSDFLVVGNQERNALGMDNPM---AHDTEAAIQVAVEALRTL

General information: TITO was launched using: RESULT: Template: 3QPB.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain C - contact count / total energy / energy per contact / energy per residue : 1289 -49502 -38.40 -220.99 target 2D structure prediction score : 0.54 Monomeric hydrophicity matching model chain C : 0.68 3D Compatibility (PKB) : -38.40 2D Compatibility (Sec. Struct. Predict.) : 0.54 1D Compatibility (Hydrophobicity) : 0.68 QMean score : 0.480

(partial model without unconserved sides chains): PDB file : Tito_3QPB.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3QPB-query.scw PDB file : Tito_Scwrl_3QPB.pdb: