Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MHLLQPQPEVNTSLLVCTHSTHQNPLLPDVVQLSPWPSSKLESEQVDWLILHFNHWFS-HHNVTLVRGEFEPEYFPANEH-EPAKIQFAHGFFNSALHEISHWTIAGAKRRLLPDLGYWYAPDGRTKEQQDLFEQVEIKPQAIEWLFAQSFGRKFRVSLDNLTGDGGDGRKFKDNVYAQVQRYFSGEAKLPADAARFIECICQCTRAGAALQLNEFKRELLD 3WTR Chain:A ((3-177)) -----------------------------------------STHHYEQLIEIFNSCFADEFNTRLIKGDDEPIYLPADAEVPYNRIVFAHGFYASAIHEISHWCIA-------------------------QFEDVEVKPQALDWLFCVAAGYPFNVS----------RVVFQRRVHAQVMDYL--ANGIPERPARFIKALQNYYYTPE-LTAEQFPW----

General information: TITO was launched using: RESULT: Template: 3WTR.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 : 561 -32007 -57.05 -233.62 target 2D structure prediction score : 0.61 Monomeric hydrophicity matching model chain A : 0.69 3D Compatibility (PKB) : -57.05 2D Compatibility (Sec. Struct. Predict.) : 0.61 1D Compatibility (Hydrophobicity) : 0.69 QMean score : 0.599

(partial model without unconserved sides chains): PDB file : Tito_3WTR.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3WTR-query.scw PDB file : Tito_Scwrl_3WTR.pdb: