Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MAALTDLSFMYRWFKNCNLVGNLSEKYVFITGCDSGFGNLLAKQLVDRGMQVLAACFTE----------EGSQKLQRDTSYRLQTTLLDVTKSESIKAAAQWVRDKVGEQGLWALVNNAGVGLPSGPNEWLTKDDFVKVINVNLVGLIEVTLHMLP-MVKRARGRVVNMSSSGGRVAV-IGGGYCVSKFGVEAFSDSIRRELYYFGVKVCIIEPGNYRTAILGKENLESRMRKLWERLPQETRDSYGEDYFRIYTDKLKNIMQVAEPRVRDVINSMEHAIVSRSPRIRYNPGLDAKLLYIPLAKLPTPVTDFILSRYLPRPADSV 1QYW Chain:A ((5-253)) ---------------------------VLITGCSSGIGLHLAVRLASDPSQSFKVYATLRDLKTQGRLWEAARALACPPG-SLETLQLDVRDSKSVAAA----RERVTEGRVDVLVCNAGLGL-LGPLEALGEDAVASVLDVNVVGTVRMLQAFLPDMKRRGSGRVLVTGSVGGLMGLPFNDVYCASKFALEGLCESLAVLLLPFGVHLSLIECGPVHT----------SPEEVLDR-----TDIHTFHRFYQYLAHSKQVFREAAQNPEEVAEVFLTALRAPKPTLRY------------------------------------

General information: TITO was launched using: RESULT: Template: 1QYW.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 : 1077 -25341 -23.53 -110.66 target 2D structure prediction score : 0.60 Monomeric hydrophicity matching model chain A : 0.69 3D Compatibility (PKB) : -23.53 2D Compatibility (Sec. Struct. Predict.) : 0.60 1D Compatibility (Hydrophobicity) : 0.69 QMean score : 0.360

(partial model without unconserved sides chains): PDB file : Tito_1QYW.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1QYW-query.scw PDB file : Tito_Scwrl_1QYW.pdb: