| 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 | 9CZXA | Q92918 | 1 | 292 | 833.0 | A1A1B:60401 | Type1 | Inactive | DFGin | 5.4561 | 14.1164 | BLAminus | -136.88, 170.25 | 74.65, 86.4 | -97.31, 23.38 | 288.29, 110.97 | -60.88, -50.46 | in-in | in | 9.0196 | Saltbr-in | 2.7207 | HRD-in | -77.07, -55.67 | 66.53, 5.39 | in-out-out | SNCioo | out-out | ActLoopNT-out | 6.1778 | ActLoopCT-out | nonTYR | APEdihe_aaioi | APEdist_oooo | APE10-dihe-na | -70.91, -29.12 | APE9-dihe-na | 72.57, -159.77 | APE8-dihe-in | -67.35, 141.44 | APE8-rot-out | 207.67 | APE67-dihe-in | -52.4, -31.07 | -100.58, -15.44 | APE12-dist-out | 20.2257 | APE11-dist-out | 20.5 | APE10-dist-out | 21.2945 | APE9-dist-out | 27.5976 | T165E,S171E | None | None | XRAY | 1.464 | 0.216 | 0.242 | A | 309.0 | 288.0 | 4 | 28 | 28 | 0 | [[17, 274]] | 1.0 | 9czx | STE_MAP4K1_HUMAN | STE | 4.9e-92 | 313.8 | 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 | 9CZXB | Q92918 | 8 | 292 | 833.0 | A1A1B:60402,A1A1B:60403 | Type1,Allosteric | Inactive | DFGin | 6.3426 | 14.2793 | BLAminus | -134.7, 170.43 | 71.89, 82.48 | -96.36, 23.25 | 289.39, 99.86 | -63.19, -37.33 | in-in | in | 9.036 | Saltbr-in | 2.7123 | HRD-in | -68.81, -50.24 | 70.2, 0.87 | in-out-out | SNCioo | out-out | ActLoopNT-out | 5.9272 | ActLoopCT-out | nonTYR | APEdihe_aaioi | APEdist_oooo | APE10-dihe-na | -61.69, 123.51 | APE9-dihe-na | -83.33, -140.23 | APE8-dihe-in | -74.52, 137.21 | APE8-rot-out | 68.09 | APE67-dihe-in | -59.39, -33.85 | -97.6, 2.5 | APE12-dist-out | 20.3086 | APE11-dist-out | 20.8314 | APE10-dist-out | 22.527 | APE9-dist-out | 28.4868 | T165E,S171E | None | None | XRAY | 1.464 | 0.216 | 0.242 | B | 309.0 | 285.0 | 0 | 28 | 28 | 0 | [[17, 274]] | 1.0 | 9czx | STE_MAP4K1_HUMAN | STE | 4.9e-92 | 313.8 | 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 | 9CZXA | Q92918 | 1 | 292 | 833.0 | A1A1B:60401 | Type1 | Inactive | DFGin | 5.4561 | 14.1164 | BLAminus | -136.88, 170.25 | 74.65, 86.4 | -97.31, 23.38 | 288.29, 110.97 | -60.88, -50.46 | in-in | in | 9.0196 | Saltbr-in | 2.7207 | HRD-in | -77.07, -55.67 | 66.53, 5.39 | in-out-out | SNCioo | out-out | ActLoopNT-out | 6.1778 | ActLoopCT-out | nonTYR | APEdihe_aaioi | APEdist_oooo | APE10-dihe-na | -70.91, -29.12 | APE9-dihe-na | 72.57, -159.77 | APE8-dihe-in | -67.35, 141.44 | APE8-rot-out | 207.67 | APE67-dihe-in | -52.4, -31.07 | -100.58, -15.44 | APE12-dist-out | 20.2257 | APE11-dist-out | 20.5 | APE10-dist-out | 21.2945 | APE9-dist-out | 27.5976 | T165E,S171E | None | None | XRAY | 1.464 | 0.216 | 0.242 | A | 309.0 | 288.0 | 4 | 28 | 28 | 0 | [[17, 274]] | 1.0 | 9czx | Homo sapiens | STE_MAP4K1_HUMAN | STE | 4.9e-92 | 313.8 | 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 | 9CZXB | Q92918 | 8 | 292 | 833.0 | A1A1B:60402,A1A1B:60403 | Type1,Allosteric | Inactive | DFGin | 6.3426 | 14.2793 | BLAminus | -134.7, 170.43 | 71.89, 82.48 | -96.36, 23.25 | 289.39, 99.86 | -63.19, -37.33 | in-in | in | 9.036 | Saltbr-in | 2.7123 | HRD-in | -68.81, -50.24 | 70.2, 0.87 | in-out-out | SNCioo | out-out | ActLoopNT-out | 5.9272 | ActLoopCT-out | nonTYR | APEdihe_aaioi | APEdist_oooo | APE10-dihe-na | -61.69, 123.51 | APE9-dihe-na | -83.33, -140.23 | APE8-dihe-in | -74.52, 137.21 | APE8-rot-out | 68.09 | APE67-dihe-in | -59.39, -33.85 | -97.6, 2.5 | APE12-dist-out | 20.3086 | APE11-dist-out | 20.8314 | APE10-dist-out | 22.527 | APE9-dist-out | 28.4868 | T165E,S171E | None | None | XRAY | 1.464 | 0.216 | 0.242 | B | 309.0 | 285.0 | 0 | 28 | 28 | 0 | [[17, 274]] | 1.0 | 9czx | Homo sapiens | STE_MAP4K1_HUMAN | STE | 4.9e-92 | 313.8 | 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 |
|---|