Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MQLSDFSFELPDELIARYPLETRSASRLLHLDAKGQ-YHDH-MFTDIIDLFEEGDLLVLNDTKVMKARLKGKRTTGGAIEILVERMPNHTTAYCHIKASNSPKAGAELFVGADNIPVIVRG-RHENLFVVEFSQPILPVLEQYGQLPIPPYFNREAEEIDTERYQTVFHNPEKIASVAAPTASLHFDEELLAKLDQKGVKKTFVTLHVGAGTFMPVRTDDITNHVMHSEWCDVPQETIDLILATKARGNKVIAVGTTATRALESAAQAHGGKIAAWTGDTQIFIYPGYEFCIVDRLITNFHLPESTLLMLVSALSNRENILAAYEHAVKDRYHFFSYGDAMLIDKLEVLKLKLG 1VKY Chain:A ((16-347)) ---SEFDYELPPELIAQEPVEPRDASRLMVLHRKTQRI-EHRIFREIIEYLEPGDLLVLNVSKVIPARLYARK---ASIEILLIERLEEGIWKCLVRPGQKVKKGTELVIDED-LSAVCLGRGEDGTRILKFQPQDDRLIFEKG------------------------------------TAGLHFTPELIEKLKKKGVQFAEVVLHV------------------HEEFYQVPKETVRKLRETRERGNRIVAVGTTTVRTLETIARLPE--QEEYVGKTDLFIYPPFEFKLVDALVTNFHLPRSTLLMLVAAFAGKDFVMEAYREAVKRRYRFFSFGDAMLIL----------

General information: TITO was launched using: RESULT: Template: 1VKY.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 : 1413 -34936 -24.72 -126.12 target 2D structure prediction score : 0.58 Monomeric hydrophicity matching model chain A : 0.78 3D Compatibility (PKB) : -24.72 2D Compatibility (Sec. Struct. Predict.) : 0.58 1D Compatibility (Hydrophobicity) : 0.78 QMean score : 0.546

(partial model without unconserved sides chains): PDB file : Tito_1VKY.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1VKY-query.scw PDB file : Tito_Scwrl_1VKY.pdb: