Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MALAESEEEFFMGLIKAATSMVGGGLADQWLEVIEPDNMSDTTVMTKGVKVRKDDKRGSNRKGTEDVLTDGTVVHVYPNMMMLLVDGGKIIDYTAEEGYYTIKNDAAPSMFNGTLKEAIAETFDRFKFGGVTPQKQQVFYINLQEIKGIKFGTSAPLNYFDNFYNAELFLRAHGTYSIHVVDPILFYTNAIPKNKTQVEINDINEQYLAEFLTALQSAINQMSADGQRISYVPSKSLELSKYMDTALDDSWRELRGMEIVSVAVASISYTDDSVKLINMRNEGAMLGDPSVREGYVQGSIARGMEAAGKNEAGAMTGFMGVGMGMNANGSYLSQAAQNNQEQIKQQAEKQNQQTAQGNADTWTCPVCGTENSGKFCSNCGAAKPVENVQPKLQMRCSECNEIVDLSNGIPKFCPNCGKPFKGIPVN 3BK6 Chain:C ((55-179)) ------------------------------------------------------------------------------------------------------------------------------------MIFEKAVIVDLRTQVL-DVP---VQETITKD---NVPVRVNAVVYFRVVDPVKAVTQV-KN---------YIMATSQISQTTLRSVIGQA-----HLDELLSERDKLNMQLQRIIDEATD-PWGIKVTAVEIKDVELPAGMQKAMARQ--------------------------------------------------------------------------------------------------------------------------------------------------

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 C - contact count / total energy / energy per contact / energy per residue : 529 -73220 -138.41 -585.76 target 2D structure prediction score : 0.57 Monomeric hydrophicity matching model chain C : 0.59 3D Compatibility (PKB) : -138.41 2D Compatibility (Sec. Struct. Predict.) : 0.57 1D Compatibility (Hydrophobicity) : 0.59 QMean score : 0.405

(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: