Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MITESRQMLDKRNRPLRDLRISVTDRCNFRCTYCMPAELFGPDYPFLKKEELLSFEELERLATLFVTRFGVEKIRLTGGEPLMRKD--MPELIKKLARIPGIRDIAMTTNGS--------LLP-VYAKRLKEAGLKRVTISLDSLEDERFKKINGRGVSVSKVLEGIEAAKQAGLGVKINMVVQKGV--NEKDILPMARYFKEKGHILRFIEFMDVGNTNQWEKKDVMTKAEIIDLINKHMPVEPIAPNYIGEVASRFRYLDGSGEIGVISSVSDAFCGSCNRARLSARGELFTCLFASSGFDLRAPVRQELSDDELSEMIGTVWKNRIDQYSVDRTLSKASGKKKVEMSYIGG 2A5H Chain:A ((112-285)) -------------RYPDRVLLLITDMCSMYCRHCTRRRFAGQ------SDDSMPMERIDKAIDYIRNTPQVRDVLLSGGDALLVSDETLEYIIAKLREI-P--HVEIVRIGSRTPVVLPQRITPELVNMLKKYHPVWLNTHFNHPNEI-----------TEESTRACQLLADAGVPLGNQSVLLRGVNDCVHVMKELVNKLVKIRVR---------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 2A5H.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 : 728 -30545 -41.96 -189.72 target 2D structure prediction score : 0.72 Monomeric hydrophicity matching model chain A : 0.60 3D Compatibility (PKB) : -41.96 2D Compatibility (Sec. Struct. Predict.) : 0.72 1D Compatibility (Hydrophobicity) : 0.60 QMean score : 0.447

(partial model without unconserved sides chains): PDB file : Tito_2A5H.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2A5H-query.scw PDB file : Tito_Scwrl_2A5H.pdb: