| 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 | 7SIUA | Q92918 | 5 | 294 | 833.0 | 9ID:60901 | Type1.5_Back | Inactive | DFGin | 3.8375 | 13.8946 | None | -51.62, -38.18 | -156.43, -174.28 | -96.36, 21.52 | 50.92, 94.98 | 81.37, -133.4 | out-out | out | 13.4182 | Saltbr-out | 9.847 | HRD-in | -75.88, -56.67 | 70.34, 5.7 | out-out-out | SNCooo | out-out | ActLoopNT-out | 6.9827 | ActLoopCT-out | nonTYR | APEdihe_aaioi | APEdist_oioo | APE10-dihe-na | -60.93, -38.93 | APE9-dihe-na | 77.72, -173.74 | APE8-dihe-in | -55.84, 129.92 | APE8-rot-out | 190.44 | APE67-dihe-in | -64.04, -19.87 | -98.67, -1.07 | APE12-dist-out | 14.7422 | APE11-dist-in | 11.9426 | APE10-dist-out | 11.923 | APE9-dist-out | 18.0514 | None | None | None | XRAY | 1.786 | 0.187 | 0.205 | A | 310.0 | 290.0 | 0 | 28 | 28 | 0 | [[17, 274]] | 1.0 | 7siu | STE_MAP4K1_HUMAN | STE | 4e-91 | 310.9 | 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 | 7SIUB | Q92918 | 16 | 294 | 833.0 | 9ID:60301 | Type1.5_Back | Inactive | DFGin | 5.0764 | 13.4832 | None | -53.44, -36.92 | -155.11, -179.05 | -87.99, 18.37 | 47.54, 74.7 | 106.16, -161.65 | out-out | out | 12.3832 | Saltbr-out | 8.7904 | HRD-in | -71.24, -52.8 | 63.02, 13.42 | out-out-out | SNCooo | out-out | ActLoopNT-out | 7.1653 | ActLoopCT-out | nonTYR | APEdihe_aaioi | APEdist_oooo | APE10-dihe-na | -100.2, -45.71 | APE9-dihe-na | 128.51, -162.4 | APE8-dihe-in | -63.73, 151.22 | APE8-rot-out | 52.58 | APE67-dihe-in | -59.58, -25.5 | -100.41, 4.16 | APE12-dist-out | 16.9549 | APE11-dist-out | 16.6118 | APE10-dist-out | 17.1001 | APE9-dist-out | 21.748 | None | None | None | XRAY | 1.786 | 0.187 | 0.205 | B | 310.0 | 279.0 | 0 | 28 | 28 | 0 | [[17, 274]] | 1.0 | 7siu | STE_MAP4K1_HUMAN | STE | 4e-91 | 310.9 | 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 | 7SIUA | Q92918 | 5 | 294 | 833.0 | 9ID:60901 | Type1.5_Back | Inactive | DFGin | 3.8375 | 13.8946 | None | -51.62, -38.18 | -156.43, -174.28 | -96.36, 21.52 | 50.92, 94.98 | 81.37, -133.4 | out-out | out | 13.4182 | Saltbr-out | 9.847 | HRD-in | -75.88, -56.67 | 70.34, 5.7 | out-out-out | SNCooo | out-out | ActLoopNT-out | 6.9827 | ActLoopCT-out | nonTYR | APEdihe_aaioi | APEdist_oioo | APE10-dihe-na | -60.93, -38.93 | APE9-dihe-na | 77.72, -173.74 | APE8-dihe-in | -55.84, 129.92 | APE8-rot-out | 190.44 | APE67-dihe-in | -64.04, -19.87 | -98.67, -1.07 | APE12-dist-out | 14.7422 | APE11-dist-in | 11.9426 | APE10-dist-out | 11.923 | APE9-dist-out | 18.0514 | None | None | None | XRAY | 1.786 | 0.187 | 0.205 | A | 310.0 | 290.0 | 0 | 28 | 28 | 0 | [[17, 274]] | 1.0 | 7siu | Homo sapiens | STE_MAP4K1_HUMAN | STE | 4e-91 | 310.9 | 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 | 7SIUB | Q92918 | 16 | 294 | 833.0 | 9ID:60301 | Type1.5_Back | Inactive | DFGin | 5.0764 | 13.4832 | None | -53.44, -36.92 | -155.11, -179.05 | -87.99, 18.37 | 47.54, 74.7 | 106.16, -161.65 | out-out | out | 12.3832 | Saltbr-out | 8.7904 | HRD-in | -71.24, -52.8 | 63.02, 13.42 | out-out-out | SNCooo | out-out | ActLoopNT-out | 7.1653 | ActLoopCT-out | nonTYR | APEdihe_aaioi | APEdist_oooo | APE10-dihe-na | -100.2, -45.71 | APE9-dihe-na | 128.51, -162.4 | APE8-dihe-in | -63.73, 151.22 | APE8-rot-out | 52.58 | APE67-dihe-in | -59.58, -25.5 | -100.41, 4.16 | APE12-dist-out | 16.9549 | APE11-dist-out | 16.6118 | APE10-dist-out | 17.1001 | APE9-dist-out | 21.748 | None | None | None | XRAY | 1.786 | 0.187 | 0.205 | B | 310.0 | 279.0 | 0 | 28 | 28 | 0 | [[17, 274]] | 1.0 | 7siu | Homo sapiens | STE_MAP4K1_HUMAN | STE | 4e-91 | 310.9 | 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 |
|---|