Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MTEELQCIGCGAVIQTNKPGELGYTPQTALEKGLASGEVYCQRCFRLRHYNEIQDVSLTDDDFLRLLNELGQKDALIVNVVDIFDFNGSLIPGLHRFVGDNPVLLVGNKVDILPKSLKKTKLTQWMKERAYEAGIRPVDVLLTSAKKSHEMTELLEKIEEYRDGRDVYIVGVTNVGKSTLINQIIKNTAGVQDVITTSQFPGTTLDKIEIPLDDGH-FLIDTPGIIHRHQMAHYLGKKDLRIIAPLKEIKPKVYQLNEGQTLFLGGLARFDFISGNRASFIAYVSNDVNIHRTKLEKADEFYQKHVGGLLQPPRPDEVEAFPELVRFEFSVKEKTDIVFAGLGWITVTAPVVIAGWAPKGVDVLKRKALI 3KXI Chain:A ((184-238)) ------------------------------------------------------------------------------------------------------------------------------------------------------------------------IVGYTNSGKTSLFNSL----TGLT------------PKRYAIPINNRKIMLVDTVGFIR-----------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3KXI.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 : 116 -19897 -171.53 -473.74 target 2D structure prediction score : 0.71 Monomeric hydrophicity matching model chain A : 0.55 3D Compatibility (PKB) : -171.53 2D Compatibility (Sec. Struct. Predict.) : 0.71 1D Compatibility (Hydrophobicity) : 0.55 QMean score : 0.701

(partial model without unconserved sides chains): PDB file : Tito_3KXI.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3KXI-query.scw PDB file : Tito_Scwrl_3KXI.pdb: