| 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 | 7M0ZB | Q02750 | 42 | 383 | 393.0 | ANP:401,CHU:402 | ATPlike,Type3 | Inactive | DFGin | 6.1064 | 14.1069 | BLBplus | -160.77, 175.85 | 59.87, 41.63 | -97.41, 152.84 | 45.88, 80.73 | -66.99, 92.55 | out-out | out | 15.4927 | Saltbr-out | 15.371 | HRD-in | -96.91, -40.79 | 69.65, -8.88 | out-out-out | SNCooo | out-out | ActLoopNT-out | 9.612 | ActLoopCT-out | nonTYR | APEdihe_aaooo | APEdist_oooo | APE10-dihe-na | -66.4, 138.99 | APE9-dihe-na | -84.75, -165.15 | APE8-dihe-out | -106.74, -38.37 | APE8-rot-out | 38.19 | APE67-dihe-out | -129.38, 138.55 | -136.73, 157.33 | APE12-dist-out | 17.2133 | APE11-dist-out | 22.3822 | APE10-dist-out | 23.6126 | APE9-dist-out | 13.6034 | S218A,S222A | None | None | XRAY | 3.12 | 0.193 | 0.225 | B | 397.0 | 310.0 | 32 | 26 | 26 | 0 | [[68, 361]] | 1.0 | 7m0z | STE_MAP2K1_HUMAN | STE | 1.1e-96 | 329.2 | 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 |
| TKL | BRAF | BRAF_HUMAN | 7M0ZA | P15056 | 449 | 721 | 766.0 | ANP:801 | ATPlike | Inactive | DFGin | 5.5912 | 13.5576 | BLBplus | -131.23, -177.35 | 57.24, 31.09 | -88.02, 155.4 | 49.99, 89.35 | 66.37, -137.56 | out-out | out | 14.3781 | Saltbr-out | 12.7969 | HRD-in | -63.1, -49.11 | 70.7, -2.29 | out-out-out | SNCooo | out-out | ActLoopNT-out | 8.9341 | ActLoopCT-out | nonTYR | APEdihe_aaioi | APEdist_iooo | APE10-dihe-na | -140.88, 158.66 | APE9-dihe-na | 126.45, -167.01 | APE8-dihe-in | -93.79, 132.25 | APE8-rot-out | 208.38 | APE67-dihe-in | -66.35, -24.31 | -75.16, -20.55 | APE12-dist-in | 12.9869 | APE11-dist-out | 14.9185 | APE10-dist-out | 11.8215 | APE9-dist-out | 6.3849 | None | None | None | XRAY | 3.12 | 0.193 | 0.225 | A | 283.0 | 273.0 | 0 | 30 | 30 | 0 | [[457, 716]] | 1.0 | 7m0z | TKL_BRAF_HUMAN | TKL | 8.1e-82 | 280.7 | 4.0 | 266.0 | 263.0 | 593 | 594 | 595 | 597 | 599 | 483 | 501 | 505 | 573 | 575 | 574 | 576.0 | 638 | 623 | 618 | 617 | 616 | 615 | 614 | 613 | 612 | 530 | Serine/threonine-protein kinase B-raf |
| 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 | 7M0ZB | Q02750 | 42 | 383 | 393.0 | ANP:401,CHU:402 | ATPlike,Type3 | Inactive | DFGin | 6.1064 | 14.1069 | BLBplus | -160.77, 175.85 | 59.87, 41.63 | -97.41, 152.84 | 45.88, 80.73 | -66.99, 92.55 | out-out | out | 15.4927 | Saltbr-out | 15.371 | HRD-in | -96.91, -40.79 | 69.65, -8.88 | out-out-out | SNCooo | out-out | ActLoopNT-out | 9.612 | ActLoopCT-out | nonTYR | APEdihe_aaooo | APEdist_oooo | APE10-dihe-na | -66.4, 138.99 | APE9-dihe-na | -84.75, -165.15 | APE8-dihe-out | -106.74, -38.37 | APE8-rot-out | 38.19 | APE67-dihe-out | -129.38, 138.55 | -136.73, 157.33 | APE12-dist-out | 17.2133 | APE11-dist-out | 22.3822 | APE10-dist-out | 23.6126 | APE9-dist-out | 13.6034 | S218A,S222A | None | None | XRAY | 3.12 | 0.193 | 0.225 | B | 397.0 | 310.0 | 32 | 26 | 26 | 0 | [[68, 361]] | 1.0 | 7m0z | Homo sapiens | STE_MAP2K1_HUMAN | STE | 1.1e-96 | 329.2 | 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 |
| TKL | BRAF | BRAF_HUMAN | 7M0ZA | P15056 | 449 | 721 | 766.0 | ANP:801 | ATPlike | Inactive | DFGin | 5.5912 | 13.5576 | BLBplus | -131.23, -177.35 | 57.24, 31.09 | -88.02, 155.4 | 49.99, 89.35 | 66.37, -137.56 | out-out | out | 14.3781 | Saltbr-out | 12.7969 | HRD-in | -63.1, -49.11 | 70.7, -2.29 | out-out-out | SNCooo | out-out | ActLoopNT-out | 8.9341 | ActLoopCT-out | nonTYR | APEdihe_aaioi | APEdist_iooo | APE10-dihe-na | -140.88, 158.66 | APE9-dihe-na | 126.45, -167.01 | APE8-dihe-in | -93.79, 132.25 | APE8-rot-out | 208.38 | APE67-dihe-in | -66.35, -24.31 | -75.16, -20.55 | APE12-dist-in | 12.9869 | APE11-dist-out | 14.9185 | APE10-dist-out | 11.8215 | APE9-dist-out | 6.3849 | None | None | None | XRAY | 3.12 | 0.193 | 0.225 | A | 283.0 | 273.0 | 0 | 30 | 30 | 0 | [[457, 716]] | 1.0 | 7m0z | Homo sapiens | TKL_BRAF_HUMAN | TKL | 8.1e-82 | 280.7 | 4.0 | 266.0 | 263.0 | 593 | 594 | 595 | 597 | 599 | 483 | 501 | 505 | 573 | 575 | 574 | 576.0 | 638 | 623 | 618 | 617 | 616 | 615 | 614 | 613 | 612 | 530 | Serine/threonine-protein kinase B-raf |
| 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 |
|---|