Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKKKRKGCFAAAGFMMIFVFVIASFLLVLLFFNRDLIKKLPIDTKTIVLERLTDYKPLVEEELESQGLSNYTSLILGMMYQESKGKGN---------DPMQSSESLG--------L---KRNEITDPQLSVKQGIKQFTLMYKTGKEKGVDLDTIIQSYNMGAGYIDFVAEHGGTHTEELAKQYSEQQVKKNPDLYTCGGNAKNFRYPYCYGDYTYAEKVKEKTKTVEESLQVATLETMESKAHE 3W6B Chain:A ((32-148)) -----------------------------------------VTKPAEVPSRIWTYVMNADNAYGKGGDFA--LLLSAVIKKESYFGDGLSGSPSAGDGLMQVEPNTRNAYLSQFSAKYGHAYNHSSEQDQVYMGSLILNEKIVRF---G-SIYSGLLHYNGGDY---------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3W6B.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 : 397 -4843 -12.20 -49.92 target 2D structure prediction score : 0.74 Monomeric hydrophicity matching model chain A : 0.54 3D Compatibility (PKB) : -12.20 2D Compatibility (Sec. Struct. Predict.) : 0.74 1D Compatibility (Hydrophobicity) : 0.54 QMean score : 0.438

(partial model without unconserved sides chains): PDB file : Tito_3W6B.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3W6B-query.scw PDB file : Tito_Scwrl_3W6B.pdb: