Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MTVRYQIEQLGDSAMMIRFGEEINEQVNGIVHAAAAYIEEQPFPGFIECIPAFTSLTVFYDMYEVYKHLPQGISSPFESVKRDVEERLAEIAEDYEVNRRIVEIPVCYGGEFGPDLEEVAKINQLSPEEVIDIHTNGEYVVYMLGFAPGFPFLGGMSKRIAAPRKSSPRPSIPAGSVGIAGLQTGVYPISTPGGWQLIGKTPLALFRPQENPPTLLRAGDIVKFVRISEKDYHAYKEESN 2KWA Chain:A ((3-101)) MTVRYQIEQLGDSAMMIRFGEEINEQVNGIVHAAAAYIEEQPFPGFIECIPAFTSLTVFYDMYEVYK-HLPQ------GISS-----------PFESVKRDVE----------ERLAEIAEDYEVNR-----------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 2KWA.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 : 451 -61504 -136.37 -621.25 target 2D structure prediction score : 0.47 Monomeric hydrophicity matching model chain A : 0.65 3D Compatibility (PKB) : -136.37 2D Compatibility (Sec. Struct. Predict.) : 0.47 1D Compatibility (Hydrophobicity) : 0.65 QMean score : 0.406

(partial model without unconserved sides chains): PDB file : Tito_2KWA.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2KWA-query.scw PDB file : Tito_Scwrl_2KWA.pdb: