| 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 | 9AXYB | Q02750 | 40 | 383 | 393.0 | A1AHE:401,ANP:402 | Type3,ATPlike | Inactive | DFGin | 5.9383 | 14.1345 | BLBplus | -149.11, 165.49 | 51.9, 40.29 | -92.3, 159.5 | 54.58, 76.32 | -75.9, 70.87 | out-out | out | 15.3992 | Saltbr-out | 14.9875 | HRD-in | -57.0, -47.47 | 79.88, -10.87 | out-out-out | SNCooo | out-out | ActLoopNT-out | 9.3372 | ActLoopCT-out | nonTYR | APEdihe_aaooo | APEdist_oooo | APE10-dihe-na | -115.09, 128.49 | APE9-dihe-na | -79.18, 173.05 | APE8-dihe-out | -111.11, -19.81 | APE8-rot-out | 47.95 | APE67-dihe-out | -148.5, 141.81 | -130.51, 175.5 | APE12-dist-out | 18.1758 | APE11-dist-out | 19.7311 | APE10-dist-out | 22.7854 | APE9-dist-out | 13.2287 | S218A,S222A | None | None | XRAY | 3.6 | 0.19 | 0.237 | B | 394.0 | 312.0 | 32 | 26 | 26 | 0 | [[68, 361]] | 1.0 | 9axy | STE_MAP2K1_HUMAN | STE | 1.1e-96 | 329.3 | 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 |
| TKL | BRAF | BRAF_HUMAN | 9AXYA | P15056 | 448 | 722 | 766.0 | ANP:801 | ATPlike | Inactive | DFGin | 5.9166 | 13.5406 | BLBplus | -133.51, 174.13 | 59.27, 33.71 | -86.77, 154.56 | 49.71, 87.92 | 69.37, -142.48 | out-out | out | 14.0958 | Saltbr-out | 13.0065 | HRD-in | -70.93, -41.64 | 75.57, -39.02 | out-out-out | SNCooo | out-out | ActLoopNT-out | 9.0693 | ActLoopCT-out | nonTYR | APEdihe_aaioi | APEdist_oooo | APE10-dihe-na | -141.06, 145.96 | APE9-dihe-na | 71.75, -130.61 | APE8-dihe-in | -87.56, 149.58 | APE8-rot-out | 200.58 | APE67-dihe-in | -69.57, -29.74 | -96.77, -9.15 | APE12-dist-out | 14.1942 | APE11-dist-out | 15.515 | APE10-dist-out | 11.6629 | APE9-dist-out | 9.6767 | None | None | None | XRAY | 3.6 | 0.19 | 0.237 | A | 280.0 | 275.0 | 0 | 30 | 30 | 0 | [[457, 716]] | 1.0 | 9axy | TKL_BRAF_HUMAN | TKL | 7.8e-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 | 9AXYB | Q02750 | 40 | 383 | 393.0 | A1AHE:401,ANP:402 | Type3,ATPlike | Inactive | DFGin | 5.9383 | 14.1345 | BLBplus | -149.11, 165.49 | 51.9, 40.29 | -92.3, 159.5 | 54.58, 76.32 | -75.9, 70.87 | out-out | out | 15.3992 | Saltbr-out | 14.9875 | HRD-in | -57.0, -47.47 | 79.88, -10.87 | out-out-out | SNCooo | out-out | ActLoopNT-out | 9.3372 | ActLoopCT-out | nonTYR | APEdihe_aaooo | APEdist_oooo | APE10-dihe-na | -115.09, 128.49 | APE9-dihe-na | -79.18, 173.05 | APE8-dihe-out | -111.11, -19.81 | APE8-rot-out | 47.95 | APE67-dihe-out | -148.5, 141.81 | -130.51, 175.5 | APE12-dist-out | 18.1758 | APE11-dist-out | 19.7311 | APE10-dist-out | 22.7854 | APE9-dist-out | 13.2287 | S218A,S222A | None | None | XRAY | 3.6 | 0.19 | 0.237 | B | 394.0 | 312.0 | 32 | 26 | 26 | 0 | [[68, 361]] | 1.0 | 9axy | Homo sapiens | STE_MAP2K1_HUMAN | STE | 1.1e-96 | 329.3 | 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 |
| TKL | BRAF | BRAF_HUMAN | 9AXYA | P15056 | 448 | 722 | 766.0 | ANP:801 | ATPlike | Inactive | DFGin | 5.9166 | 13.5406 | BLBplus | -133.51, 174.13 | 59.27, 33.71 | -86.77, 154.56 | 49.71, 87.92 | 69.37, -142.48 | out-out | out | 14.0958 | Saltbr-out | 13.0065 | HRD-in | -70.93, -41.64 | 75.57, -39.02 | out-out-out | SNCooo | out-out | ActLoopNT-out | 9.0693 | ActLoopCT-out | nonTYR | APEdihe_aaioi | APEdist_oooo | APE10-dihe-na | -141.06, 145.96 | APE9-dihe-na | 71.75, -130.61 | APE8-dihe-in | -87.56, 149.58 | APE8-rot-out | 200.58 | APE67-dihe-in | -69.57, -29.74 | -96.77, -9.15 | APE12-dist-out | 14.1942 | APE11-dist-out | 15.515 | APE10-dist-out | 11.6629 | APE9-dist-out | 9.6767 | None | None | None | XRAY | 3.6 | 0.19 | 0.237 | A | 280.0 | 275.0 | 0 | 30 | 30 | 0 | [[457, 716]] | 1.0 | 9axy | Homo sapiens | TKL_BRAF_HUMAN | TKL | 7.8e-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 |
|---|