Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MTTALLVIDIQNDYFPN-GKMALTNPEKAAQNAAKLLSHFRNTGAPVFHVQHITEGNIA-------------HFFHPNTEGVEIHESVRPLEKETVIVKHMPNSFFNTDLNGKLQEEGVKELVVCGMMSHMCIDATVRSAVEHGYVCQVVEDACATTTLQIE-DKIVPAEHVHYAFMAALNGVYATVKTTEAFLK 3IRV Chain:A ((21-215)) LRTAVIVVDMQKVFCEPTGALYVKSTADIVQPIQKLLQAARAAQVMVIYLRHIVRGDGSDTGRMRDLYPNVDQILARHDPDVEVIEALAPQSDDVIVDKLFYSGFHNTDLDTVLRARDVDTIIVCGTVTNVCCETTIRDGVHREYKVIALSDANAAMDYPDVGFGAVSAADVQRISLTTIAYEFGEVTTTAEVIR

General information: TITO was launched using: RESULT: Template: 3IRV.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 : 961 -155345 -161.65 -863.03 target 2D structure prediction score : 0.62 Monomeric hydrophicity matching model chain A : 0.74 3D Compatibility (PKB) : -161.65 2D Compatibility (Sec. Struct. Predict.) : 0.62 1D Compatibility (Hydrophobicity) : 0.74 QMean score : 0.549

(partial model without unconserved sides chains): PDB file : Tito_3IRV.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3IRV-query.scw PDB file : Tito_Scwrl_3IRV.pdb: