Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKVLKPGLLTTVQDIGRTGYQKYGVLASGAMDTVSLRIANLLIGNGENEAGLEITMMGPGPSFHFSKQTLIAVTGADFTLRINDEEAPLWKPVLIKENSTVSFGPCKLGSRAYLAAAGGIEVPAVMESKSTYVRGSIGGLHGRALQKEDELNIGEMSALSQTILSRLSSQLGKQGFAAPKWSVSRGRFLPLKKNPVIRVLEGKQFAFFTEESKTRFYEEAFRVTPQSDRMGYRLKGEPLELKAPLEMVSEAV---------SFGTVQVPPDGNPIILLADRQTTGGYPRIAHIISADLPIVSQIMPGE--HVQFEPVSLQEAEALAVEREQHIKELKTRMKMEWLT 1Q18 Chain:A ((80-180)) ---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------AFSIAEMKKNLGF----SHLEIINDFTAVSMAIPMLKKEHLIQFGGAE-PVEGKPIAVYGAGTGLG----VAHLVHVDKRWVS--LPGEGGHVDFAPNSEEEAIILEILRAE---------------

General information: TITO was launched using: RESULT: Template: 1Q18.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 : 182 -26524 -145.73 -294.71 target 2D structure prediction score : 0.46 Monomeric hydrophicity matching model chain A : 0.56 3D Compatibility (PKB) : -145.73 2D Compatibility (Sec. Struct. Predict.) : 0.46 1D Compatibility (Hydrophobicity) : 0.56 QMean score : 0.260

(partial model without unconserved sides chains): PDB file : Tito_1Q18.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1Q18-query.scw PDB file : Tito_Scwrl_1Q18.pdb: