Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSKQIIYPGAVIGIIGGGQLGKMMAVSAKQMGYKVAVVDPVKDSPCGQVADVEITAHYNDREAIRKLAEISDIITYEFENIDYDAL-HWLKDHAYLPQGSELLLITQNRETEKKAIQSAGCEVAPYSIVKTKNELKQAVQELRLPAVLKTCRGGYDGKGQFVIKEEAQMEQAAALLEHGTCILESWVSFKMELSVIVVRSVNGEISTFPTAENIHHNNILFQSIVPARVEKGIQQKAADLAVKLADELNLVGPLAVEMFLTEDGELLVNELAPRPHNSGHYTLDLCETSQFEQHIRAVCGLPLGKTDLLKPGMMVNLLGDEVKLVEEDPELLKEAKLYIYGKHEIKKGRKMGHITFMKQPEDEWIQEITNKWMNRDGGQAE 3ETJ Chain:A ((4-320)) -----------VCVLGNGQLGRMLRQAGEPLGIAVW--------PVG--LDAEPAA----------VPFQQSVITAEIERWPETALTRQLARHPAF-VNRDVFPIIADRLTQKQLFDKLHLPTAPWQLLAERSEWPAVFDRLGELAIVKRRTGGYDGRGQWRLRAN-ETEQLPAEC-YGECIVEQGINFSGEVSLVGARGFDGSTVFYPLTHNLHQDGILRTSVAFPQANAQQQARAEEMLSAIMQELGYVGVMAMECFVTPQG-LLINELAPRVHNSGHWTQNGASISQFELHLRAITDLPLPQPVVNNPSVMINLIGSDVNY---DWLKLPLVHLHWYDK-EVRPGRKVGHLNL-------------------------

General information: TITO was launched using: RESULT: Template: 3ETJ.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 : 1726 -191951 -111.21 -607.44 target 2D structure prediction score : 0.48 Monomeric hydrophicity matching model chain A : 0.77 3D Compatibility (PKB) : -111.21 2D Compatibility (Sec. Struct. Predict.) : 0.48 1D Compatibility (Hydrophobicity) : 0.77 QMean score : 0.412

(partial model without unconserved sides chains): PDB file : Tito_3ETJ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3ETJ-query.scw PDB file : Tito_Scwrl_3ETJ.pdb: