Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKLKDLIGKASIHKNKTIAVAHAEDEEVIRAVKLAAEHLSARFLLTGDSKKLNELTSSMQGHQVEIVHANTPEESAKLAVRAVHHKTADVLMKGNVPTSVLLKAVLNRQEGLRSASVLSHVAVFDIPDFDRLMFVTDSAMNIAPSLEELRQILQNAVHVAHAVGNNMPKAAALAAVETVNPKMEATVNAAALAQMYKRGQIKGCIVDGPLALDNAVSQIAAAQKKISGDVAGNADILLVPTIEAGNILYKSLIYFAKASVAAVITGAKAPIALTSRADSAENKLYSIALAICASEEYTH 3UF6 Chain:A ((16-290)) ------------TSSFVFAVAGADDEVVLETIRLALKQKLGKFLLFGKKEDKTLTAN-ES---VTWIQTDTAEAAAQGAILAVKNKEADILVKGFIPTATLMHHVLKKENGLRTDQLLSQIAIFDIPTYHKPLLITDCAMNVAPKTKEKIAITENALAVAHQIGITNPKIALLSAVEEVTAKMPSTLEAQEVVQHFG----NQISVSGPLALDVAISKEAALHKGITDSSAGEADILIAPNIETGNALYKSLVYFAGAKVGSAVVGAKVPIVISSRNDSPENKLASFILTVRLVE----

General information: TITO was launched using: RESULT: Template: 3UF6.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 : 1566 -190541 -121.67 -692.87 target 2D structure prediction score : 0.64 Monomeric hydrophicity matching model chain A : 0.81 3D Compatibility (PKB) : -121.67 2D Compatibility (Sec. Struct. Predict.) : 0.64 1D Compatibility (Hydrophobicity) : 0.81 QMean score : 0.480

(partial model without unconserved sides chains): PDB file : Tito_3UF6.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3UF6-query.scw PDB file : Tito_Scwrl_3UF6.pdb: