Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MVIDFKQDILAPVATDFAAMDHLINEGISSKVGLVMSVSKHVVEAGGKRMRPIMCLLAARACGLDNMQNAQRLAAIIEMLHTATLVHDDVVDESGLRRGRPTANATWNNQTAVLVGDFLIARAFDLLVDLNNMTLLKDFSTGTCEIAEGEVLQLQSQHQPDTTEETYLKIIHGKTSRLFELATEGAAILAGQEA-YREPLRLFAGHFGNAFQIIDDILDYTSDAETLGKNIGDDLMEGKPTLPLISALAHSTGEEH---AIIRRSIATGGVDQLPKVIEIVQKSGALDYCQRRAQEETEAALQALSILPDTPYRQALINLTRLALHRIQ 3WJK Chain:B ((1-321)) ---MNLEKINELTAQDMAGVNAAILEQLNSDVQLINQLGYYIVSGGGKRIRPMIAVLAARAVGYEG-NAHVTIAALIEFIHTATLLHDDVVDESD-----------FGNAASVLVGDFIYTRAFQMMTSLGSLKVLEVMSEAVNVIAEGEVLQLMNVNDPDITEENYMRVIYSKTARLFEAAAQCSGILAGCTPEEEKGLQDYGRYLGTAFQLIDDLLDYN-------KNVGDDLNEGKPTLPLLHAMHHGTPEQAQMIRTAIEQG--NGRHLLEPVLEAMNACGSLEWTRQRAEEEADKAIAALQVLPDTPWREALIGLAHIAVQR--

General information: TITO was launched using: RESULT: Template: 3WJK.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 : 1454 -145184 -99.85 -485.57 target 2D structure prediction score : 0.71 Monomeric hydrophicity matching model chain B : 0.81 3D Compatibility (PKB) : -99.85 2D Compatibility (Sec. Struct. Predict.) : 0.71 1D Compatibility (Hydrophobicity) : 0.81 QMean score : 0.514

(partial model without unconserved sides chains): PDB file : Tito_3WJK.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3WJK-query.scw PDB file : Tito_Scwrl_3WJK.pdb: