Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKISLLGSGRVAFHLAKALLAQGHHIAQVYARDFEKTKKFAEQIQAKACQS-LQEFQ---PTDLIILAVSDSAITELATQVHELF-PKMLMVHTSGSTDIQVI--SQVHEKAGVFYPLQTFSLERDVDWKATPLFVEATNKDDLVILSDLANSLSKR--------------------VYQYT-SKQRLTLHLAAVFACNFSN----YCFDMAKQVVDA-------------EQVDFGLLYPLILETAKKATENDPKQMQTGPAMRGDQNILVMHQSLLAQANRDDLKQVYQLLSDGIVKRHHSS 4E21 Chain:B ((23-274)) MQIGMIGLGRMGADMVRRLRKGGHECV-VYDLNVNAVQALERE-GIAGARSIEEFCAKLVKPRVVWLMVPAAVVDSMLQRMTPLLAANDIVIDGGNSHYQDDIRRADQMRAQGITYVDVGTSGGIFGLERGYCLMIGGE-KQAVERLDPVFRTLAPGIGAAPRTPGREKREGTAELGYLHCGPSGAGH----FVKMVHNGIEYGLMAAYAEGLNILHHANAGPLRNPDFYRYDLDLADITEVWRRG----------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4E21.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 1034 -56955 -55.08 -293.58 target 2D structure prediction score : 0.57 Monomeric hydrophicity matching model chain B : 0.66 3D Compatibility (PKB) : -55.08 2D Compatibility (Sec. Struct. Predict.) : 0.57 1D Compatibility (Hydrophobicity) : 0.66 QMean score : 0.532

(partial model without unconserved sides chains): PDB file : Tito_4E21.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4E21-query.scw PDB file : Tito_Scwrl_4E21.pdb: