Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSFFRNQLANVVEWEEFRDDMIFYKWNNREIKKGSRLIIRPGQDAVFLNNGRVEGVFQDDGDYDIESEIIPFLSTLKGFKFGFNSGMRAEVLFVNTKEFTVRWGTKQAINIPAAGMPGGMPIRANGTFNFKVQDYISLIDKIAGVKDQYFVEDIKTRIISILDQLLMKWITREGKDMFNLQANAFDIAKGIQEDLDMQLISDGMTVTGFQIMSFNYPQEVQDMITKNASYGMVGDVNRYQQISMTDGMASGKMSGSGAASDMAGMMMGMNMANQMMNQMNQNQQAQSSGPQSTGSGSKPNFCPNCGTKTGEANFCPNCGQKLV 3BK6 Chain:A ((58-180)) ----------------------------------------------------------------------------------------EKAVIVDLRTQVLDVPV---QETITKD---NVPVRVNAVVYFRVVDPVKAVTQVKN---------YIMATSQISQTTLRSVIGQA--HLDELLSERDKLNMQLQRIIDEATDPWGIKVTAVEIKDVELPAGMQKAMARQA-----------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3BK6.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 : 527 -80930 -153.57 -657.96 target 2D structure prediction score : 0.67 Monomeric hydrophicity matching model chain A : 0.60 3D Compatibility (PKB) : -153.57 2D Compatibility (Sec. Struct. Predict.) : 0.67 1D Compatibility (Hydrophobicity) : 0.60 QMean score : 0.404

(partial model without unconserved sides chains): PDB file : Tito_3BK6.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3BK6-query.scw PDB file : Tito_Scwrl_3BK6.pdb: