| 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 | MAP2K1 | MP2K1_HUMAN | AF-Q02750-K1A | Q02750 | 60 | 369 | 393.0 | No_ligand | No_ligand | Active | DFGin | 6.7617 | 13.9206 | BLAminus | -141.48, 178.33 | 62.51, 67.83 | -84.66, 11.29 | 303.49, 105.97 | -58.9, -35.51 | in-in | in | 8.7469 | Saltbr-in | 2.7808 | HRD-in | -71.48, -46.02 | 68.89, 6.27 | in-in-in | SNCiii | in-in | ActLoopNT-in | 3.1613 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -126.25, 157.79 | APE9-dihe-na | 87.59, -179.27 | APE8-dihe-in | -77.79, 114.77 | APE8-rot-in | 310.06 | APE67-dihe-in | -64.37, -36.32 | -49.36, -36.23 | APE12-dist-in | 9.1608 | APE11-dist-in | 11.0784 | APE10-dist-in | 5.1468 | APE9-dist-in | 3.6476 | None | None | None | AF2 | -1.0 | 1.0 | 1.0 | A | 310.0 | 310.0 | 0 | 26 | 26 | 0 | [[68, 361]] | 1.0 | AF-Q02750-K1 | STE_MAP2K1_HUMAN | STE | 1e-97 | 332.4 | 1.0 | 257.0 | 257.0 | 207 | 208 | 209 | 211 | 213 | 97 | 114 | 118 | 187 | 189 | 188 | 190.0 | 245 | 233 | 228 | 227 | 226 | 225 | 224 | 223 | 222 | 144 | Dual specificity mitogen-activated protein kinase kinase 1 |
| STE | MAP2K1 | MP2K1_HUMAN | AF-Q02750-K3A | Q02750 | 60 | 369 | 393.0 | No_ligand | No_ligand | Active | DFGin | 6.5567 | 14.3808 | BLAminus | -143.24, 178.57 | 58.61, 67.22 | -80.37, 9.59 | 297.91, 96.18 | -56.08, -30.18 | in-in | in | 8.7799 | Saltbr-in | 2.7216 | HRD-in | -72.62, -42.76 | 70.59, -5.92 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.885 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -138.2, 127.08 | APE9-dihe-na | 138.9, -176.14 | APE8-dihe-in | -75.17, 114.71 | APE8-rot-in | 307.94 | APE67-dihe-in | -66.43, -20.65 | -55.45, -37.06 | APE12-dist-in | 8.962 | APE11-dist-in | 11.3261 | APE10-dist-in | 5.4896 | APE9-dist-in | 3.9396 | None | None | None | AF2 | -1.0 | 1.0 | 1.0 | A | 310.0 | 310.0 | 0 | 26 | 26 | 0 | [[68, 361]] | 1.0 | AF-Q02750-K3 | STE_MAP2K1_HUMAN | STE | 1e-97 | 332.4 | 1.0 | 257.0 | 257.0 | 207 | 208 | 209 | 211 | 213 | 97 | 114 | 118 | 187 | 189 | 188 | 190.0 | 245 | 233 | 228 | 227 | 226 | 225 | 224 | 223 | 222 | 144 | Dual specificity mitogen-activated protein 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 | MAP2K1 | MP2K1_HUMAN | AF-Q02750-K1A | Q02750 | 60 | 369 | 393.0 | No_ligand | No_ligand | Active | DFGin | 6.7617 | 13.9206 | BLAminus | -141.48, 178.33 | 62.51, 67.83 | -84.66, 11.29 | 303.49, 105.97 | -58.9, -35.51 | in-in | in | 8.7469 | Saltbr-in | 2.7808 | HRD-in | -71.48, -46.02 | 68.89, 6.27 | in-in-in | SNCiii | in-in | ActLoopNT-in | 3.1613 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -126.25, 157.79 | APE9-dihe-na | 87.59, -179.27 | APE8-dihe-in | -77.79, 114.77 | APE8-rot-in | 310.06 | APE67-dihe-in | -64.37, -36.32 | -49.36, -36.23 | APE12-dist-in | 9.1608 | APE11-dist-in | 11.0784 | APE10-dist-in | 5.1468 | APE9-dist-in | 3.6476 | None | None | None | AF2 | -1.0 | 1.0 | 1.0 | A | 310.0 | 310.0 | 0 | 26 | 26 | 0 | [[68, 361]] | 1.0 | AF-Q02750-K1 | Homo sapiens | STE_MAP2K1_HUMAN | STE | 1e-97 | 332.4 | 1.0 | 257.0 | 257.0 | 207 | 208 | 209 | 211 | 213 | 97 | 114 | 118 | 187 | 189 | 188 | 190.0 | 245 | 233 | 228 | 227 | 226 | 225 | 224 | 223 | 222 | 144 | Dual specificity mitogen-activated protein kinase kinase 1 |
| STE | MAP2K1 | MP2K1_HUMAN | AF-Q02750-K3A | Q02750 | 60 | 369 | 393.0 | No_ligand | No_ligand | Active | DFGin | 6.5567 | 14.3808 | BLAminus | -143.24, 178.57 | 58.61, 67.22 | -80.37, 9.59 | 297.91, 96.18 | -56.08, -30.18 | in-in | in | 8.7799 | Saltbr-in | 2.7216 | HRD-in | -72.62, -42.76 | 70.59, -5.92 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.885 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -138.2, 127.08 | APE9-dihe-na | 138.9, -176.14 | APE8-dihe-in | -75.17, 114.71 | APE8-rot-in | 307.94 | APE67-dihe-in | -66.43, -20.65 | -55.45, -37.06 | APE12-dist-in | 8.962 | APE11-dist-in | 11.3261 | APE10-dist-in | 5.4896 | APE9-dist-in | 3.9396 | None | None | None | AF2 | -1.0 | 1.0 | 1.0 | A | 310.0 | 310.0 | 0 | 26 | 26 | 0 | [[68, 361]] | 1.0 | AF-Q02750-K3 | Homo sapiens | STE_MAP2K1_HUMAN | STE | 1e-97 | 332.4 | 1.0 | 257.0 | 257.0 | 207 | 208 | 209 | 211 | 213 | 97 | 114 | 118 | 187 | 189 | 188 | 190.0 | 245 | 233 | 228 | 227 | 226 | 225 | 224 | 223 | 222 | 144 | Dual specificity mitogen-activated protein 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 |
|---|