Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MRGFFGKAIFVVLAVFIMMPLLGIEAVRASELQQHVYDRAHLLSKAEIGKLESLSAKLGAKRDTDFIIITTKSTNGEDIADYTGDFYDRYG----K-GSTAILTIDMTNREVFIAGFKKAEQYLDNSRLNSIR-NTISSDLSNENYFEAFETYIQLSYKDMGIKPGVNPDNIFFTWWFQLIAAIAVGGIAVSIMLYHAGGKVTVNGSTYMDQRTSDVIDQYDTYIRTTVTRERKPSDKDSGSDGGVTKGGTSYSGSRGSF 2KW7 Chain:A ((16-149)) ------------------------------DSTRLVTDEAGLLSNAQEEVMNGRLRAIRSSHAVEFAVVTLPSIGDAPLEDFTLKLARQWGVGNEKNNNGLLLVLVLDQRRVRFETGYGLEGYLPDGLLSRIIHDRMIPHFRSGNYAEGLSEGVLAVQQVLDGS------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 2KW7.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 : 603 -87543 -145.18 -683.93 target 2D structure prediction score : 0.68 Monomeric hydrophicity matching model chain A : 0.58 3D Compatibility (PKB) : -145.18 2D Compatibility (Sec. Struct. Predict.) : 0.68 1D Compatibility (Hydrophobicity) : 0.58 QMean score : 0.493

(partial model without unconserved sides chains): PDB file : Tito_2KW7.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2KW7-query.scw PDB file : Tito_Scwrl_2KW7.pdb: