| 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 | 3SLSA | Q02750 | 45 | 383 | 393.0 | ANP:60400,77D:60500 | ATPlike,Type3 | Inactive | DFGin | 6.0671 | 13.8281 | BLBplus | -140.19, 178.66 | 54.09, 43.7 | -94.25, 127.95 | 47.57, 97.28 | -65.93, 145.27 | out-out | out | 15.7649 | Saltbr-out | 16.2192 | HRD-in | -71.97, -60.22 | 78.51, -3.12 | out-out-out | SNCooo | out-out | ActLoopNT-out | 8.4367 | ActLoopCT-out | nonTYR | APEdihe_aaooo | APEdist_nooo | APE10-dihe-na | -93.38, -0.96 | APE9-dihe-na | -118.58, -150.08 | APE8-dihe-out | -118.64, -9.13 | APE8-rot-out | 48.38 | APE67-dihe-out | -141.57, 136.87 | -142.17, 156.77 | APE12-dist-none | 999.0 | APE11-dist-out | 20.7273 | APE10-dist-out | 20.2954 | APE9-dist-out | 13.9168 | None | None | None | XRAY | 2.3 | 0.21 | 0.287 | A | 304.0 | 288.0 | 7 | 26 | 20 | 6 | [[68, 361]] | 1.0 | 3sls | STE_MAP2K1_HUMAN | STE | 1.4e-98 | 335.3 | 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 | 3SLSB | Q02750 | 45 | 383 | 393.0 | ANP:60400,77D:60500 | ATPlike,Type3 | Inactive | DFGin | 6.2211 | 13.8152 | BLBplus | -143.68, 175.58 | 56.27, 41.79 | -94.32, 130.27 | 43.79, 91.06 | -64.4, 146.65 | out-out | out | 15.8164 | Saltbr-out | 15.9268 | HRD-in | -71.99, -58.98 | 74.88, -1.55 | out-out-out | SNCooo | out-out | ActLoopNT-out | 7.5058 | ActLoopCT-out | nonTYR | APEdihe_aaooo | APEdist_nooo | APE10-dihe-na | -110.34, -17.81 | APE9-dihe-na | 107.94, -164.16 | APE8-dihe-out | -114.29, -25.66 | APE8-rot-out | 168.01 | APE67-dihe-out | -146.37, 136.37 | -123.32, 171.0 | APE12-dist-none | 999.0 | APE11-dist-out | 19.1374 | APE10-dist-out | 21.3033 | APE9-dist-out | 13.5951 | None | None | None | XRAY | 2.3 | 0.21 | 0.287 | B | 304.0 | 290.0 | 5 | 26 | 21 | 5 | [[68, 361]] | 1.0 | 3sls | STE_MAP2K1_HUMAN | STE | 1.4e-98 | 335.3 | 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 | 3SLSA | Q02750 | 45 | 383 | 393.0 | ANP:60400,77D:60500 | ATPlike,Type3 | Inactive | DFGin | 6.0671 | 13.8281 | BLBplus | -140.19, 178.66 | 54.09, 43.7 | -94.25, 127.95 | 47.57, 97.28 | -65.93, 145.27 | out-out | out | 15.7649 | Saltbr-out | 16.2192 | HRD-in | -71.97, -60.22 | 78.51, -3.12 | out-out-out | SNCooo | out-out | ActLoopNT-out | 8.4367 | ActLoopCT-out | nonTYR | APEdihe_aaooo | APEdist_nooo | APE10-dihe-na | -93.38, -0.96 | APE9-dihe-na | -118.58, -150.08 | APE8-dihe-out | -118.64, -9.13 | APE8-rot-out | 48.38 | APE67-dihe-out | -141.57, 136.87 | -142.17, 156.77 | APE12-dist-none | 999.0 | APE11-dist-out | 20.7273 | APE10-dist-out | 20.2954 | APE9-dist-out | 13.9168 | None | None | None | XRAY | 2.3 | 0.21 | 0.287 | A | 304.0 | 288.0 | 7 | 26 | 20 | 6 | [[68, 361]] | 1.0 | 3sls | Homo sapiens | STE_MAP2K1_HUMAN | STE | 1.4e-98 | 335.3 | 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 | 3SLSB | Q02750 | 45 | 383 | 393.0 | ANP:60400,77D:60500 | ATPlike,Type3 | Inactive | DFGin | 6.2211 | 13.8152 | BLBplus | -143.68, 175.58 | 56.27, 41.79 | -94.32, 130.27 | 43.79, 91.06 | -64.4, 146.65 | out-out | out | 15.8164 | Saltbr-out | 15.9268 | HRD-in | -71.99, -58.98 | 74.88, -1.55 | out-out-out | SNCooo | out-out | ActLoopNT-out | 7.5058 | ActLoopCT-out | nonTYR | APEdihe_aaooo | APEdist_nooo | APE10-dihe-na | -110.34, -17.81 | APE9-dihe-na | 107.94, -164.16 | APE8-dihe-out | -114.29, -25.66 | APE8-rot-out | 168.01 | APE67-dihe-out | -146.37, 136.37 | -123.32, 171.0 | APE12-dist-none | 999.0 | APE11-dist-out | 19.1374 | APE10-dist-out | 21.3033 | APE9-dist-out | 13.5951 | None | None | None | XRAY | 2.3 | 0.21 | 0.287 | B | 304.0 | 290.0 | 5 | 26 | 21 | 5 | [[68, 361]] | 1.0 | 3sls | Homo sapiens | STE_MAP2K1_HUMAN | STE | 1.4e-98 | 335.3 | 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 |
|---|