Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSDGSASSSSPPSLSQPINDTTPRRLLTLCSVGVARPFQRKRWSPSLLRLSPWTCVKLGTFRDLCEARTIQFIASNTSIPVPKVYCSFQRRDKRDGTTTTYIVMQRIRGQTLASAWPTLSASSRNKILLQLRHFVQVMRNLPWPKREYKISNVDGGSLWDCRLVSGVDRFGPFKDTLAFHLFLRNGLEKAPPELPEVDEMIKLQARDWGPVV---FTHGDLSSLNILVRGDR---IVGIVDWETAGWFPPYWEYSTACQVNPRNTF---------WAEWIDHFLEPWPD------ALEMERVRQRWWGVI------ 4WW7 Chain:A ((4-257)) EFIDKVSSYLTPDVDIAPISQGAAIVFTTTTHPY-LPRAKDSHQKYIIKYRP---------RTLNESRLLAKLYLIPGLCVPQ----LIACDPYNG----FIWLEFL-GEDLP----------------------------------------------------GGHGFSNLKNFLWMH--------DQDPYSDLVATTLRKVGRQIGLLHWNDYCHGDLTSSNIVLVRDGARWTPHLIDFGLGSVSNLVEDKGVDLYVLERAILSTHSKHAEKYNAWIMEGFEEVYREQGAKGAKKLKEVTKRFEEVRLRGRKR

General information: TITO was launched using: RESULT: Template: 4WW7.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 : 946 -45848 -48.46 -218.32 target 2D structure prediction score : 0.54 Monomeric hydrophicity matching model chain A : 0.65 3D Compatibility (PKB) : -48.46 2D Compatibility (Sec. Struct. Predict.) : 0.54 1D Compatibility (Hydrophobicity) : 0.65 QMean score : 0.171

(partial model without unconserved sides chains): PDB file : Tito_4WW7.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4ww7-query.scw PDB file : Tito_Scwrl_4WW7.pdb: