Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MAALTDLSFMYRWFKNCNLVGNLSEKYVFITGCDSGFGNLLAKQLVDRGMQVLAACFTE----------EGSQKLQRDTSYRLQTTLLDVTKSESIKAAAQWVRDKVGEQGLWALVNNAGVGLPSGPNEWLTKDDFVKVINVNLVGLIEVTLHMLP-MVKRARGRVVNMSSSGGRVAV-IGGGYCVSKFGVEAFSDSIRRELYYFGVKVCIIEPGNYRTAILGKENLESRMRKLWERLPQETRDSYGEDYFRIYTDKLKNIMQVAEPRVRDVINSMEHAIVSRSPRIRYNPGLDAKLLYIPLAKLPTPVTDFILSRYLPRPADSV 3DHE Chain:A ((5-253)) ---------------------------VLITGCSSGIGLHLAVRLASDPSQSFKVYATLRDLKTQGRLWEAARALACPPG-SLETLQLDVRDSKSVAAA----RERVTEGRVDVLVCNAGLGL-LGPLEALGEDAVASVLDVNVVGTVRMLQAFLPDMKRRGSGRVLVTGSVGGLMGLPFNDVYCASKFALEGLCESLAVLLLPFGVHLSLIECGPVHTAFM--EKVLGSPEEVLDR-----TDIHTFHRFYQYLAHSKQVFREAAQNPEEVAEVFLTALRAPKPTLRY------------------------------------

General information: TITO was launched using: RESULT: Template: 3DHE.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 : 1093 -18625 -17.04 -78.58 target 2D structure prediction score : 0.57 Monomeric hydrophicity matching model chain A : 0.70 3D Compatibility (PKB) : -17.04 2D Compatibility (Sec. Struct. Predict.) : 0.57 1D Compatibility (Hydrophobicity) : 0.70 QMean score : 0.335

(partial model without unconserved sides chains): PDB file : Tito_3DHE.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3DHE-query.scw PDB file : Tito_Scwrl_3DHE.pdb: