| 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 | 8YP4A | Q02750 | 34 | 384 | 393.0 | WNT:401 | Type1 | Inactive | DFGin | 5.6499 | 12.5748 | None | -114.29, -33.59 | -28.46, 108.03 | -125.65, 141.38 | 278.55, 110.59 | -62.12, 167.08 | out-out | out | 15.0636 | Saltbr-out | 17.0816 | HRD-out | 70.59, -102.97 | 160.56, -67.88 | out-out-out | SNCooo | out-out | ActLoopNT-out | 13.7522 | ActLoopCT-out | nonTYR | APEdihe_aaoio | APEdist_nnoo | APE10-dihe-na | 999.0, 77.83 | APE9-dihe-na | -121.62, 81.96 | APE8-dihe-out | 101.02, -24.75 | APE8-rot-in | 322.27 | APE67-dihe-out | -132.46, 136.61 | -111.44, 133.26 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-out | 16.1822 | APE9-dist-out | 15.9962 | T286A,T292A,S298A | None | None | XRAY | 2.35 | 0.21 | 0.284 | A | 365.0 | 305.0 | 46 | 26 | 17 | 9 | [[68, 361]] | 1.0 | 8yp4 | STE_MAP2K1_HUMAN | STE | 1.9e-97 | 331.7 | 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 | 8YP4B | Q02750 | 43 | 383 | 393.0 | WNT:402 | Type1 | Inactive | DFGout | 11.3253 | 6.4247 | None | -108.9, 111.79 | -94.09, -121.26 | 66.37, 140.13 | 107.59, 69.46 | 128.79, 15.36 | out-out | out | 15.3476 | Saltbr-out | 16.193 | HRD-out | 49.23, 166.44 | 96.35, 147.86 | out-out-out | SNCooo | out-out | ActLoopNT-out | 11.7919 | ActLoopCT-out | nonTYR | APEdihe_aanoo | APEdist_nnnn | APE10-dihe-na | 999.0, 999.0 | APE9-dihe-na | 999.0, 999.0 | APE8-dihe-none | 999.0, -125.63 | APE8-rot-out | 65.35 | APE67-dihe-out | 121.59, -95.83 | 78.91, 128.14 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-none | 999.0 | APE9-dist-none | 999.0 | T286A,T292A,S298A | None | None | XRAY | 2.35 | 0.21 | 0.284 | B | 365.0 | 299.0 | 42 | 26 | 15 | 11 | [[68, 361]] | 1.0 | 8yp4 | STE_MAP2K1_HUMAN | STE | 1.9e-97 | 331.7 | 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 | 8YP4A | Q02750 | 34 | 384 | 393.0 | WNT:401 | Type1 | Inactive | DFGin | 5.6499 | 12.5748 | None | -114.29, -33.59 | -28.46, 108.03 | -125.65, 141.38 | 278.55, 110.59 | -62.12, 167.08 | out-out | out | 15.0636 | Saltbr-out | 17.0816 | HRD-out | 70.59, -102.97 | 160.56, -67.88 | out-out-out | SNCooo | out-out | ActLoopNT-out | 13.7522 | ActLoopCT-out | nonTYR | APEdihe_aaoio | APEdist_nnoo | APE10-dihe-na | 999.0, 77.83 | APE9-dihe-na | -121.62, 81.96 | APE8-dihe-out | 101.02, -24.75 | APE8-rot-in | 322.27 | APE67-dihe-out | -132.46, 136.61 | -111.44, 133.26 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-out | 16.1822 | APE9-dist-out | 15.9962 | T286A,T292A,S298A | None | None | XRAY | 2.35 | 0.21 | 0.284 | A | 365.0 | 305.0 | 46 | 26 | 17 | 9 | [[68, 361]] | 1.0 | 8yp4 | Homo sapiens | STE_MAP2K1_HUMAN | STE | 1.9e-97 | 331.7 | 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 | 8YP4B | Q02750 | 43 | 383 | 393.0 | WNT:402 | Type1 | Inactive | DFGout | 11.3253 | 6.4247 | None | -108.9, 111.79 | -94.09, -121.26 | 66.37, 140.13 | 107.59, 69.46 | 128.79, 15.36 | out-out | out | 15.3476 | Saltbr-out | 16.193 | HRD-out | 49.23, 166.44 | 96.35, 147.86 | out-out-out | SNCooo | out-out | ActLoopNT-out | 11.7919 | ActLoopCT-out | nonTYR | APEdihe_aanoo | APEdist_nnnn | APE10-dihe-na | 999.0, 999.0 | APE9-dihe-na | 999.0, 999.0 | APE8-dihe-none | 999.0, -125.63 | APE8-rot-out | 65.35 | APE67-dihe-out | 121.59, -95.83 | 78.91, 128.14 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-none | 999.0 | APE9-dist-none | 999.0 | T286A,T292A,S298A | None | None | XRAY | 2.35 | 0.21 | 0.284 | B | 365.0 | 299.0 | 42 | 26 | 15 | 11 | [[68, 361]] | 1.0 | 8yp4 | Homo sapiens | STE_MAP2K1_HUMAN | STE | 1.9e-97 | 331.7 | 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 |
|---|