Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKIRILTIGQKMPAWVLTGFEDYFKRIQPFVQTQVIKLPMAKRGKNDSEADILKYCQIEGESILNALKPNETLIALEVGGRELSTEKLADTMKQWMLEGNDVALAIGGPDGLSDQVRKAAAWHWSLSKLTMPHPLVRILLIEQLYRAMSINHNHPYHRA 5TWJ Chain:C ((8-161)) VKLQLVAVGTKMPDWVQTGFTEYLRRFPKDMPFELIEIPAGKRGKN---ADIKRILDKEGEQMLAAAGKNR-IVTLDIPGKPWDTPQLAAELERWKLDGRDVSLLIGGPEGLSPACKAAAEQSWSLSALTLPHPLVRVLVAESLYRAWSITTNHPYHR-

General information: TITO was launched using: RESULT: Template: 5TWJ.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 : 717 -90560 -126.30 -588.05 target 2D structure prediction score : 0.70 Monomeric hydrophicity matching model chain C : 0.86 3D Compatibility (PKB) : -126.30 2D Compatibility (Sec. Struct. Predict.) : 0.70 1D Compatibility (Hydrophobicity) : 0.86 QMean score : 0.595

(partial model without unconserved sides chains): PDB file : Tito_5TWJ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5TWJ-query.scw PDB file : Tito_Scwrl_5TWJ.pdb: