Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MQLSDFSFELPDELIARYPLETRSASRLLHLDAKGQYHDHMFTDIIDLFEEGDLLVLNDTKVMKARLKGKRTTGGAIEILVERMPNHTTAYCHIKASNSPKAGAELFVGADNIPVIVRGRHENLFVVEFSQPILPVLEQYGQLPIPPYFNREAEEIDTERYQTVFHNPEKIASVAAPTASLHFDEELLAKLDQKGVKKTFVTLHVGAGTFMPVRTDDITNHVMHSEWCDVPQETIDLILATKARGNKVIAVGTTATRALESAAQAHGGKIAAWTGDTQIFIYPGYEFCIVDRLITNFHLPESTLLMLVSALSNRENILAAYEHAVKDRYHFFSYGDAMLIDKLEVLKLKLG 1JR7 Chain:A ((262-283)) -----------------------------------------------PVPVGKFLLINNLFWLHGRDRF------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 1JR7.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 : 11 -2337 -212.41 -106.20 target 2D structure prediction score : 0.55 Monomeric hydrophicity matching model chain A : 0.51 3D Compatibility (PKB) : -212.41 2D Compatibility (Sec. Struct. Predict.) : 0.55 1D Compatibility (Hydrophobicity) : 0.51 QMean score : 0.599

(partial model without unconserved sides chains): PDB file : Tito_1JR7.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1JR7-query.scw PDB file : Tito_Scwrl_1JR7.pdb: