Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNEQETIQEKAILVGCQLPHITDEHFENSMEELASLTKTADGKVLTSVTQKRNRADAATYIGKGKVEELKALVEELEADLLIFNDELSPSQLKSLATAIEVKMIDRTQLILDIFAKRARTREGKLQIELAQLQYALPRLTGQGINLSRQGGGIGARGPGETKLETDRRHIRNRIHEINTQLSTVIRHRSRYRERRKKNGVLQIALVGYTNAGKSTWFNRLTSADSYEEDLLFATLDPMTRKMVLPSGYSVLLSDTVGFIQDLPTTLIAAFRSTLEEVKEADLILHLIDSSNEDYAGHEKTVLRLLEELEADDI-----PMLTAYNKRD-------QKLPDFIPTAGRDHIMVSAKFEDDAAAFKEAIQRYL-------------RQELLTSFEAHVPASEGKLLSRIKSETMVDRFYFNEENEQYDISGYVQEEQSIIGELKKYM 1UDX Chain:A ((157-381)) -------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------IADVGLVGYPNAGKSSLLAAMTRAHPKIAPYPFTTLSPNLGVVEVSEEERFTLADIPGIIEGASEGKGLGL-EFLRHIARTRVLLYVLDAADEPL----KTLETLRKEVGAYDPALLRRPSLVALNKVDLLEEEAVKALADALAREGLAVLPVSALTGAGLPALKEALHALVRSTPPPEMPKPVP----QAGVEV-VPVAEGVYEVRAPE---VERYLARIKGDLMEAAGYLQE------------

General information: TITO was launched using: RESULT: Template: 1UDX.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 : 842 -97047 -115.26 -495.14 target 2D structure prediction score : 0.59 Monomeric hydrophicity matching model chain A : 0.66 3D Compatibility (PKB) : -115.26 2D Compatibility (Sec. Struct. Predict.) : 0.59 1D Compatibility (Hydrophobicity) : 0.66 QMean score : 0.354

(partial model without unconserved sides chains): PDB file : Tito_1UDX.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1UDX-query.scw PDB file : Tito_Scwrl_1UDX.pdb: