Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MQRQTELKNWLQTVYPE----------RDFDLSFAAADADFRRYFRAAFSDGGSVVCMDAPPD-----------KMSVAPYLKVQKLFDM---VNVPQVLHADTDLGFVVLNDLGN-TT-FLTAMLQEQGEAAHKALLLEAIGELVGLQKASREGVL---------PEYD-RETML--REINLFPEWFVA----KELGRELTF---KQ--RQLWQQTADTLLPPLLAQPKVYVHRDFIVRNLMLTRGRPGVLDFQDALYGPISYDLVSLLRDAFIEWEEEFVLDLVIRYWEKARAAGLPVPAEFDEFYRRFEWMGVQRHLKVAGIFARLYYRDGKDKYRPEIPRFLNYLRRVSRRYAELAPLYALLVELVGDEELETGFTF 2PYW Chain:A ((12-275)) ----KSLVDYIKSTPALSSKIGADKSDDDLVIKEVGDGNLNF-VFIVVGS-SGSLVIKQALPYIRCIGESWPMTKERAYFEATTLRKHGNLSPDHVPEVYHFDRTMALIGMRYLEPPHIILRKGLIAGI---EYPFLADHMSDYMAKTLFFTSLLYHDTTEHRRAVTEFCGNVELCRLTEQVVFSDPYRVSTFNRWTSPYLDDDAKAVREDSALKLEIAELKSMFCERAQALIHGDLHTGSVMVTQDSTQVIDPEFSFYGPMGFDIGAYLGNL------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 2PYW.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 : 691 -21155 -30.62 -97.49 target 2D structure prediction score : 0.52 Monomeric hydrophicity matching model chain A : 0.59 3D Compatibility (PKB) : -30.62 2D Compatibility (Sec. Struct. Predict.) : 0.52 1D Compatibility (Hydrophobicity) : 0.59 QMean score : 0.265

(partial model without unconserved sides chains): PDB file : Tito_2PYW.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2pyw-query.scw PDB file : Tito_Scwrl_2PYW.pdb: