| Group | Gene | SwissprotID | PDB | UniprotID | First_obs_res | Last_obs_res | Length_Unp | Ligand | Ligand_type | Activity_label | Spatial_label | Phe_Glu4_dis | Phe_Lys_dis | Dihedral_label | XDFG φ,ψ |
DFG-Asp φ,ψ |
DFG-Phe φ,ψ |
DFG-Phe χ1,χ2 |
DFG-Gly φ,ψ |
ChelixSaltbr_label | Chelix_label | Lys_Glu_dis | Saltbr_label | LysNZ_GluOE_dis | HRD_label | His φ,ψ | Arg φ,ψ | SNC_label | SNCpymol_label | ActLoop_label | ActLoopNT_label | DFG6_XHRD_dis | ActLoopCT_label | APEtype | APEdihe_label | APEdist_label | APE10_dihe_label | APE10 φ,ψ | APE9_dihe_label | APE9 φ,ψ | APE8_dihe_label | APE8 φ,ψ | APE8_rotamer_label | APE8 χ1 | APE67_label | APE6 φ,ψ | APE7 φ,ψ | APE12_dist_label | APE12_DFG4_dis | APE11_dist_label | APE11_DFG4_dis | APE10_dist_label | APE10_DFG4_dis | APE9_dist_label | APE9_Arg_dis | Chain_mut | Chain_phos | Modified_aa | Method | Resolution | Rvalue | FreeRvalue | Chain_id | ChainLen | Ordered_residues | DomainBreak | ActLoopLength | ActLoopResolvedResidues | ActLoopDisorderedResidues | Kinase_domains_Unp | N_Kinase_domains_Unp | pdb | Kincore_name | hmm | Evalue | Score | hmmbeg | hmmend | hmmlen | XDFGnum | DFGnum | PHEnum | DFG4num | DFG6num | LYSnum | GLUnum | GLU4num | XHRDnum | ARGnum | HRDnum | HRDaspnum | aFaspnum | APEnum | APE6num | APE7num | APE8num | APE9num | APE10num | APE11num | APE12num | Hinge1num | Protein_name |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| TKL | MAP3K12 | M3K12_HUMAN | AF-Q12852-K1A | Q12852 | 117 | 374 | 859.0 | No_ligand | No_ligand | Active | DFGin | 6.4258 | 14.4038 | BLAminus | -135.37, 174.94 | 59.09, 75.76 | -81.87, 15.15 | 290.24, 86.78 | -63.45, -16.18 | in-na | in | 9.0259 | Saltbr-na | 5.0805 | HRD-in | -74.58, -46.99 | 68.83, -6.59 | na-in-in | SNCaii | in-in | ActLoopNT-in | 2.9293 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -154.29, 155.5 | APE9-dihe-na | 115.77, -178.15 | APE8-dihe-in | -101.06, 126.9 | APE8-rot-in | 306.9 | APE67-dihe-in | -65.79, -18.28 | -46.31, -46.72 | APE12-dist-in | 8.8055 | APE11-dist-in | 11.076 | APE10-dist-in | 5.3824 | APE9-dist-in | 3.438 | None | None | None | AF2 | -1.0 | 1.0 | 1.0 | A | 258.0 | 258.0 | 0 | 27 | 27 | 0 | [[118, 372]] | 1.0 | AF-Q12852-K1 | TKL_MAP3K12_HUMAN | MAP3K123 | 8.4e-138 | 463.6 | 1.0 | 254.0 | 254.0 | 253 | 254 | 255 | 257 | 259 | 152 | 161 | 165 | 233 | 235 | 234 | 236.0 | 292 | 280 | 275 | 274 | 273 | 272 | 271 | 270 | 269 | 191 | Mitogen-activated protein kinase kinase kinase 12 |
| TKL | MAP3K12 | M3K12_HUMAN | AF-Q12852-K3A | Q12852 | 117 | 374 | 859.0 | No_ligand | No_ligand | Active | DFGin | 6.2508 | 14.5575 | BLAminus | -140.65, -175.73 | 52.42, 68.88 | -73.59, 9.91 | 294.28, 96.63 | -59.3, -19.37 | in-na | in | 9.0783 | Saltbr-na | 5.3305 | HRD-in | -74.8, -45.87 | 67.92, -9.13 | na-in-in | SNCaii | in-in | ActLoopNT-in | 2.9232 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -149.36, 146.36 | APE9-dihe-na | 105.87, -173.52 | APE8-dihe-in | -105.9, 126.7 | APE8-rot-in | 310.93 | APE67-dihe-in | -64.79, -18.86 | -50.97, -43.69 | APE12-dist-in | 8.6823 | APE11-dist-in | 11.2814 | APE10-dist-in | 5.4772 | APE9-dist-in | 3.635 | None | None | None | AF2 | -1.0 | 1.0 | 1.0 | A | 258.0 | 258.0 | 0 | 27 | 27 | 0 | [[118, 372]] | 1.0 | AF-Q12852-K3 | TKL_MAP3K12_HUMAN | MAP3K123 | 8.4e-138 | 463.6 | 1.0 | 254.0 | 254.0 | 253 | 254 | 255 | 257 | 259 | 152 | 161 | 165 | 233 | 235 | 234 | 236.0 | 292 | 280 | 275 | 274 | 273 | 272 | 271 | 270 | 269 | 191 | Mitogen-activated protein kinase kinase kinase 12 |
| Group | Gene | SwissprotID | PDB | UniprotID | First_obs_res | Last_obs_res | Length_Unp | Ligand | Ligand_type | Activity_label | Spatial_label | Phe_Glu4_dis | Phe_Lys_dis | Dihedral_label | XDFG φ,ψ |
DFG-Asp φ,ψ |
DFG-Phe φ,ψ |
DFG-Phe χ1,χ2 |
DFG-Gly φ,ψ |
ChelixSaltbr_label | Chelix_label | Lys_Glu_dis | Saltbr_label | LysNZ_GluOE_dis | HRD_label | His φ,ψ | Arg φ,ψ | SNC_label | SNCpymol_label | ActLoop_label | ActLoopNT_label | DFG6_XHRD_dis | ActLoopCT_label | APEtype | APEdihe_label | APEdist_label | APE10_dihe_label | APE10 φ,ψ | APE9_dihe_label | APE9 φ,ψ | APE8_dihe_label | APE8 φ,ψ | APE8_rotamer_label | APE8 χ1 | APE67_label | APE6 φ,ψ | APE7 φ,ψ | APE12_dist_label | APE12_DFG4_dis | APE11_dist_label | APE11_DFG4_dis | APE10_dist_label | APE10_DFG4_dis | APE9_dist_label | APE9_Arg_dis | Chain_mut | Chain_phos | Modified_aa | Method | Resolution | Rvalue | FreeRvalue | Chain_id | ChainLen | Ordered_residues | DomainBreak | ActLoopLength | ActLoopResolvedResidues | ActLoopDisorderedResidues | Kinase_domains_Unp | N_Kinase_domains_Unp | pdb | Species | Kincore_name | hmm | Evalue | Score | hmmbeg | hmmend | hmmlen | XDFGnum | DFGnum | PHEnum | DFG4num | DFG6num | LYSnum | GLUnum | GLU4num | XHRDnum | ARGnum | HRDnum | HRDaspnum | aFaspnum | APEnum | APE6num | APE7num | APE8num | APE9num | APE10num | APE11num | APE12num | Hinge1num | Protein_name |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| TKL | MAP3K12 | M3K12_HUMAN | AF-Q12852-K1A | Q12852 | 117 | 374 | 859.0 | No_ligand | No_ligand | Active | DFGin | 6.4258 | 14.4038 | BLAminus | -135.37, 174.94 | 59.09, 75.76 | -81.87, 15.15 | 290.24, 86.78 | -63.45, -16.18 | in-na | in | 9.0259 | Saltbr-na | 5.0805 | HRD-in | -74.58, -46.99 | 68.83, -6.59 | na-in-in | SNCaii | in-in | ActLoopNT-in | 2.9293 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -154.29, 155.5 | APE9-dihe-na | 115.77, -178.15 | APE8-dihe-in | -101.06, 126.9 | APE8-rot-in | 306.9 | APE67-dihe-in | -65.79, -18.28 | -46.31, -46.72 | APE12-dist-in | 8.8055 | APE11-dist-in | 11.076 | APE10-dist-in | 5.3824 | APE9-dist-in | 3.438 | None | None | None | AF2 | -1.0 | 1.0 | 1.0 | A | 258.0 | 258.0 | 0 | 27 | 27 | 0 | [[118, 372]] | 1.0 | AF-Q12852-K1 | Homo sapiens | TKL_MAP3K12_HUMAN | MAP3K123 | 8.4e-138 | 463.6 | 1.0 | 254.0 | 254.0 | 253 | 254 | 255 | 257 | 259 | 152 | 161 | 165 | 233 | 235 | 234 | 236.0 | 292 | 280 | 275 | 274 | 273 | 272 | 271 | 270 | 269 | 191 | Mitogen-activated protein kinase kinase kinase 12 |
| TKL | MAP3K12 | M3K12_HUMAN | AF-Q12852-K3A | Q12852 | 117 | 374 | 859.0 | No_ligand | No_ligand | Active | DFGin | 6.2508 | 14.5575 | BLAminus | -140.65, -175.73 | 52.42, 68.88 | -73.59, 9.91 | 294.28, 96.63 | -59.3, -19.37 | in-na | in | 9.0783 | Saltbr-na | 5.3305 | HRD-in | -74.8, -45.87 | 67.92, -9.13 | na-in-in | SNCaii | in-in | ActLoopNT-in | 2.9232 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -149.36, 146.36 | APE9-dihe-na | 105.87, -173.52 | APE8-dihe-in | -105.9, 126.7 | APE8-rot-in | 310.93 | APE67-dihe-in | -64.79, -18.86 | -50.97, -43.69 | APE12-dist-in | 8.6823 | APE11-dist-in | 11.2814 | APE10-dist-in | 5.4772 | APE9-dist-in | 3.635 | None | None | None | AF2 | -1.0 | 1.0 | 1.0 | A | 258.0 | 258.0 | 0 | 27 | 27 | 0 | [[118, 372]] | 1.0 | AF-Q12852-K3 | Homo sapiens | TKL_MAP3K12_HUMAN | MAP3K123 | 8.4e-138 | 463.6 | 1.0 | 254.0 | 254.0 | 253 | 254 | 255 | 257 | 259 | 152 | 161 | 165 | 233 | 235 | 234 | 236.0 | 292 | 280 | 275 | 274 | 273 | 272 | 271 | 270 | 269 | 191 | Mitogen-activated protein kinase kinase kinase 12 |
| Spatial label | Dihedral label | Number of Chains | Percent | Representative |
|---|
| Group | Gene | SwissprotID | PDB | UniprotID | First_obs_res | Last_obs_res | Length_Unp | Ligand | Ligand_type | Activity_label | Spatial_label | Phe_Glu4_dis | Phe_Lys_dis | Dihedral_label | XDFG φ,ψ |
DFG-Asp φ,ψ |
DFG-Phe φ,ψ |
DFG-Phe χ1,χ2 |
DFG-Gly φ,ψ |
ChelixSaltbr_label | Chelix_label | Lys_Glu_dis | Saltbr_label | LysNZ_GluOE_dis | HRD_label | His φ,ψ | Arg φ,ψ | SNC_label | SNCpymol_label | ActLoop_label | ActLoopNT_label | DFG6_XHRD_dis | ActLoopCT_label | APEtype | APEdihe_label | APEdist_label | APE10_dihe_label | APE10 φ,ψ | APE9_dihe_label | APE9 φ,ψ | APE8_dihe_label | APE8 φ,ψ | APE8_rotamer_label | APE8 χ1 | APE67_label | APE6 φ,ψ | APE7 φ,ψ | APE12_dist_label | APE12_DFG4_dis | APE11_dist_label | APE11_DFG4_dis | APE10_dist_label | APE10_DFG4_dis | APE9_dist_label | APE9_Arg_dis | Chain_mut | Chain_phos | Modified_aa | Method | Resolution | Rvalue | FreeRvalue | Chain_id | ChainLen | Ordered_residues | DomainBreak | ActLoopLength | ActLoopResolvedResidues | ActLoopDisorderedResidues | Kinase_domains_Unp | N_Kinase_domains_Unp | pdb | Species | Kincore_name | hmm | Evalue | Score | hmmbeg | hmmend | hmmlen | XDFGnum | DFGnum | PHEnum | DFG4num | DFG6num | LYSnum | GLUnum | GLU4num | XHRDnum | ARGnum | HRDnum | HRDaspnum | aFaspnum | APEnum | APE6num | APE7num | APE8num | APE9num | APE10num | APE11num | APE12num | Hinge1num | Protein_name |
|---|