Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MQRQLVSSSRVEQKNWDRP-----------VLSEWIEQFVNTVQAVQ-TPVQIVAHSFGCLTSVAALAEHPELQLQVKKLILVAPANPARFGE------A-------------GFA---R-HS-----L--------TD---------Y---K-----DYF------HQ--LKINVPATLLISENDPWLDFFDALQLAKSW-QLTPINLGQVGHINVASGFGPFPDLLNHLLPEDSMCSHSSIDPVKTHFSLKFA 4I3F Chain:A ((75-301)) ------HCLAPDIAGFGLSQHNCPPNGTSHWIDIWVQQQIDLLDAKGIEQTHIVGNSMGGGVTLHLLNRHP---ERFKKAVLMGPVGAPFAPTEGLTKGWEFYKDPSKEALEYLITKFLFDPSLLGNDIASIAAQRFDNVMKDEVRLQFEAMFSGGTKKGIDAFVLSDDELNNISHQMLVTHAREDFFIPLNNAYYLIDRIPNAQLHVFDHCGHWVQIEKKKAFNNLTKLFFDGMF-------------------

General information: TITO was launched using: RESULT: Template: 4I3F.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 : 548 -7432 -13.56 -48.57 target 2D structure prediction score : 0.63 Monomeric hydrophicity matching model chain A : 0.63 3D Compatibility (PKB) : -13.56 2D Compatibility (Sec. Struct. Predict.) : 0.63 1D Compatibility (Hydrophobicity) : 0.63 QMean score : 0.473

(partial model without unconserved sides chains): PDB file : Tito_4I3F.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4I3F-query.scw PDB file : Tito_Scwrl_4I3F.pdb: