Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MPFFIVFHFYKGKIMRAYNFCAGPAALPTAVLEKAQQELLDWQGKGLSIMEMSHRSADYVAVAEKAEADLRKLMNIPENYKVLFLQGGASLQFSAIPLNLLGKNNKADYIHTGIWSEKALKEAKRYG-DINVVEAGIKVDGKFAISEQSEWNL-SDDAAYVHYADNETIGGLQFAGVPDV-KAPLVCDFSSSILSAPLDVSKFGLIYAGAQKNIGPAGLTIVIIRDDLLDQAK-AEIPSILKYADQAKNGSMVNTPSTYAWYLSGLVFEWLLEQGGVDAIHKVNLEKAQLLYGYIDSS-DF-YNNPIAIPNRSIMNVPFTLADKALEK-QFLKEAEANHLLNLAGHRSVGGMRASIYNAVPLEGVQALIRFMDDFAKRNG 3M5U Chain:B ((4-360)) --------------MRKINFSAGPSTLPLEILEQAQKELCDYQGRGYSIMEISHRTKVFEEVHFGAQEKAKKLYELNDDYEVLFLQGGASLQFAMIPMNLA-LNGVCEYANTGVWTKKAIKEAQILGVNVKTVASSE----ESNFDHIPR-VEFSDNADYAYICSNNTIYGTQYQ-NYPKTKTPLIVDASSDFFSRKVDFSNIALFYGGVQKNAGISGLSCIFIRKDMLERSKNKQIPSMLNYLTHAENQSLFNTPPTFAIYMFNLEMDWLLNQGGLDKVHEKNSQKATMLYECIDLSNGFYKGHAD-KKDRSLMNVSFNIAKNKDLEPLFVKEAEEAGMIGLKGHRILGGIRASIYNALNLDQVKTLCEFMKEFQGKY-

General information: TITO was launched using: RESULT: Template: 3M5U.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 1971 -21710 -11.01 -62.03 target 2D structure prediction score : 0.63 Monomeric hydrophicity matching model chain B : 0.81 3D Compatibility (PKB) : -11.01 2D Compatibility (Sec. Struct. Predict.) : 0.63 1D Compatibility (Hydrophobicity) : 0.81 QMean score : 0.564

(partial model without unconserved sides chains): PDB file : Tito_3M5U.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3M5U-query.scw PDB file : Tito_Scwrl_3M5U.pdb: