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

General information: TITO was launched using: RESULT: Template: 3KLP.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain X - contact count / total energy / energy per contact / energy per residue : 1069 -31585 -29.55 -138.53 target 2D structure prediction score : 0.61 Monomeric hydrophicity matching model chain X : 0.69 3D Compatibility (PKB) : -29.55 2D Compatibility (Sec. Struct. Predict.) : 0.61 1D Compatibility (Hydrophobicity) : 0.69 QMean score : 0.319

(partial model without unconserved sides chains): PDB file : Tito_3KLP.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3KLP-query.scw PDB file : Tito_Scwrl_3KLP.pdb: