| 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 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| STE | MAP4K1 | M4K1_HUMAN | 6CQEA | Q92918 | 4 | 293 | 833.0 | No_ligand | No_ligand | Inactive | None | 13.3001 | 16.8899 | None | -78.38, 159.45 | -80.15, 141.12 | -104.62, -37.54 | 162.44, 74.03 | -60.06, -40.87 | out-out | out | 13.2067 | Saltbr-out | 10.9331 | HRD-in | -68.12, -50.77 | 83.16, -16.98 | out-out-out | SNCooo | out-out | ActLoopNT-out | 11.0216 | ActLoopCT-out | nonTYR | APEdihe_aaioi | APEdist_oooo | APE10-dihe-na | -125.75, 162.38 | APE9-dihe-na | -83.75, 166.4 | APE8-dihe-in | -86.5, 169.52 | APE8-rot-out | 55.14 | APE67-dihe-in | -56.39, -35.1 | -100.47, 3.45 | APE12-dist-out | 21.4981 | APE11-dist-out | 18.2331 | APE10-dist-out | 16.5364 | APE9-dist-out | 20.6708 | S171A | None | None | XRAY | 1.886 | 0.207 | 0.258 | A | 295.0 | 286.0 | 4 | 28 | 28 | 0 | [[17, 274]] | 1.0 | 6cqe | STE_MAP4K1_HUMAN | STE | 3.9e-92 | 314.1 | 1.0 | 256.0 | 256.0 | 154 | 155 | 156 | 158 | 160 | 46 | 62 | 66 | 134 | 136 | 135 | 137.0 | 197 | 182 | 177 | 176 | 175 | 174 | 173 | 172 | 171 | 92 | Mitogen-activated protein kinase kinase kinase kinase 1 |
| STE | MAP4K1 | M4K1_HUMAN | 6CQEB | Q92918 | 5 | 293 | 833.0 | No_ligand | No_ligand | Inactive | None | 13.6063 | 16.6656 | None | -80.76, 157.28 | -74.99, 140.01 | -104.91, -33.72 | 170.4, 64.14 | -59.17, -42.27 | out-out | out | 13.2818 | Saltbr-out | 11.4119 | HRD-in | -69.42, -46.27 | 82.96, -17.54 | out-out-out | SNCooo | out-out | ActLoopNT-out | 11.1037 | ActLoopCT-out | nonTYR | APEdihe_aaioi | APEdist_oooo | APE10-dihe-na | -124.41, 161.02 | APE9-dihe-na | -76.12, 165.91 | APE8-dihe-in | -92.98, 166.38 | APE8-rot-out | 201.74 | APE67-dihe-in | -59.03, -29.82 | -96.28, -0.42 | APE12-dist-out | 21.5351 | APE11-dist-out | 18.345 | APE10-dist-out | 16.557 | APE9-dist-out | 20.6171 | S171A | None | None | XRAY | 1.886 | 0.207 | 0.258 | B | 295.0 | 286.0 | 3 | 28 | 28 | 0 | [[17, 274]] | 1.0 | 6cqe | STE_MAP4K1_HUMAN | STE | 3.9e-92 | 314.1 | 1.0 | 256.0 | 256.0 | 154 | 155 | 156 | 158 | 160 | 46 | 62 | 66 | 134 | 136 | 135 | 137.0 | 197 | 182 | 177 | 176 | 175 | 174 | 173 | 172 | 171 | 92 | Mitogen-activated protein kinase kinase kinase kinase 1 |
| 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 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| STE | MAP4K1 | M4K1_HUMAN | 6CQEA | Q92918 | 4 | 293 | 833.0 | No_ligand | No_ligand | Inactive | None | 13.3001 | 16.8899 | None | -78.38, 159.45 | -80.15, 141.12 | -104.62, -37.54 | 162.44, 74.03 | -60.06, -40.87 | out-out | out | 13.2067 | Saltbr-out | 10.9331 | HRD-in | -68.12, -50.77 | 83.16, -16.98 | out-out-out | SNCooo | out-out | ActLoopNT-out | 11.0216 | ActLoopCT-out | nonTYR | APEdihe_aaioi | APEdist_oooo | APE10-dihe-na | -125.75, 162.38 | APE9-dihe-na | -83.75, 166.4 | APE8-dihe-in | -86.5, 169.52 | APE8-rot-out | 55.14 | APE67-dihe-in | -56.39, -35.1 | -100.47, 3.45 | APE12-dist-out | 21.4981 | APE11-dist-out | 18.2331 | APE10-dist-out | 16.5364 | APE9-dist-out | 20.6708 | S171A | None | None | XRAY | 1.886 | 0.207 | 0.258 | A | 295.0 | 286.0 | 4 | 28 | 28 | 0 | [[17, 274]] | 1.0 | 6cqe | Homo sapiens | STE_MAP4K1_HUMAN | STE | 3.9e-92 | 314.1 | 1.0 | 256.0 | 256.0 | 154 | 155 | 156 | 158 | 160 | 46 | 62 | 66 | 134 | 136 | 135 | 137.0 | 197 | 182 | 177 | 176 | 175 | 174 | 173 | 172 | 171 | 92 | Mitogen-activated protein kinase kinase kinase kinase 1 |
| STE | MAP4K1 | M4K1_HUMAN | 6CQEB | Q92918 | 5 | 293 | 833.0 | No_ligand | No_ligand | Inactive | None | 13.6063 | 16.6656 | None | -80.76, 157.28 | -74.99, 140.01 | -104.91, -33.72 | 170.4, 64.14 | -59.17, -42.27 | out-out | out | 13.2818 | Saltbr-out | 11.4119 | HRD-in | -69.42, -46.27 | 82.96, -17.54 | out-out-out | SNCooo | out-out | ActLoopNT-out | 11.1037 | ActLoopCT-out | nonTYR | APEdihe_aaioi | APEdist_oooo | APE10-dihe-na | -124.41, 161.02 | APE9-dihe-na | -76.12, 165.91 | APE8-dihe-in | -92.98, 166.38 | APE8-rot-out | 201.74 | APE67-dihe-in | -59.03, -29.82 | -96.28, -0.42 | APE12-dist-out | 21.5351 | APE11-dist-out | 18.345 | APE10-dist-out | 16.557 | APE9-dist-out | 20.6171 | S171A | None | None | XRAY | 1.886 | 0.207 | 0.258 | B | 295.0 | 286.0 | 3 | 28 | 28 | 0 | [[17, 274]] | 1.0 | 6cqe | Homo sapiens | STE_MAP4K1_HUMAN | STE | 3.9e-92 | 314.1 | 1.0 | 256.0 | 256.0 | 154 | 155 | 156 | 158 | 160 | 46 | 62 | 66 | 134 | 136 | 135 | 137.0 | 197 | 182 | 177 | 176 | 175 | 174 | 173 | 172 | 171 | 92 | Mitogen-activated protein kinase kinase kinase kinase 1 |
| 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 |
|---|