Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MPFFIVFHFYKGKIMRAYNFCAGPAALPTAVLEKAQQELLDWQGKGLSIMEMSHRSADYVAVAEKAEADLRKLMNIPENYKVLFLQGGASLQFSAIPLNLLGKNNKADYIHTGIWSEKALKEAKRYGDINVVEAGIKVDGKFAISEQSEWNLSDDAAYVHYADNETIGGLQFAGVPDV-KAPLVCDFSSSILSAPLDVSKFGLIYAGAQKNIGPAGLTIVIIRDDLLDQAKAEIPSILKYADQAKNGSMVNTPSTYAWYLSGLVFEWLLEQGGVDAIHKVNLEKAQLLYGYIDSSDFYNNPIAIPNRSIMNVPFTLADKALEKQFLKEAEANHLLNLAGHRSVGGMRASIYNAVPLEGVQALIRFMDDFAKRNG 4XK1 Chain:A ((14-368)) -----------------FNFCAGPAALPDAVLQRAQAELLDWRGKGLSVMEMSHRSDDYVAIASKAEQDLRDLLDIPSDYKVLFLQGGASQQFAEIPLNLLPEDGVADYIDTGIWSKKAIEEARRYGTVNVAASAKEYD-YFAIPGQNEWTLTKDAAYVHYASNETIGGLEFDWIPETGDVPLVTDMSSDILSRPLDVSRFGLIYAGAQKNIGPSGLVVVIVREDLLGRARSVCPTMLNYKTAADNGSMYNTPATYSWYLSGLVFEWLKEQGGVTAMEQRNRAKKDLLYKTIDASDFYTNPIQPSARSWMNVPFRLADERLDKPFLEGAEARGLLNLKGHRSVGGMRASIYNALGLDAVEALVAYMAEFEKEH-

General information: TITO was launched using: RESULT: Template: 4XK1.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 : 1981 -92518 -46.70 -261.35 target 2D structure prediction score : 0.66 Monomeric hydrophicity matching model chain A : 0.88 3D Compatibility (PKB) : -46.70 2D Compatibility (Sec. Struct. Predict.) : 0.66 1D Compatibility (Hydrophobicity) : 0.88 QMean score : 0.603

(partial model without unconserved sides chains): PDB file : Tito_4XK1.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4XK1-query.scw PDB file : Tito_Scwrl_4XK1.pdb: