| 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 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| TKL | BRAF | BRAF_HUMAN | AF-P15056-K1A | P15056 | 449 | 724 | 766.0 | No_ligand | No_ligand | Active | DFGin | 6.5777 | 14.0016 | BLAminus | -136.42, -168.61 | 54.52, 78.24 | -91.38, 15.3 | 291.45, 90.84 | -61.05, -27.93 | in-in | in | 8.7297 | Saltbr-in | 2.8056 | HRD-in | -73.46, -42.74 | 68.11, -17.22 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.8534 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -117.87, 119.19 | APE9-dihe-na | 120.45, -176.86 | APE8-dihe-in | -87.87, 116.2 | APE8-rot-in | 298.87 | APE67-dihe-in | -55.14, -36.76 | -47.67, -38.83 | APE12-dist-in | 12.6483 | APE11-dist-in | 12.3032 | APE10-dist-in | 6.8712 | APE9-dist-in | 5.7004 | None | None | None | AF2 | -1.0 | 1.0 | 1.0 | A | 276.0 | 276.0 | 0 | 30 | 30 | 0 | [[457, 716]] | 1.0 | AF-P15056-K1 | TKL_BRAF_HUMAN | TKL | 7.4e-82 | 280.8 | 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 |
| TKL | BRAF | BRAF_HUMAN | AF-P15056-K3A | P15056 | 449 | 724 | 766.0 | No_ligand | No_ligand | Active | DFGin | 6.4889 | 13.9065 | BLAminus | -136.13, -161.95 | 56.79, 58.46 | -83.12, 17.87 | 298.48, 102.52 | -58.43, -33.8 | in-in | in | 7.988 | Saltbr-in | 2.6954 | HRD-in | -75.87, -39.62 | 66.63, -12.61 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.8862 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -138.1, 139.45 | APE9-dihe-na | 110.12, -162.95 | APE8-dihe-in | -111.8, 115.95 | APE8-rot-in | 306.17 | APE67-dihe-in | -66.26, -25.72 | -56.57, -34.14 | APE12-dist-in | 11.8418 | APE11-dist-in | 12.1092 | APE10-dist-in | 6.4099 | APE9-dist-in | 4.0232 | None | None | None | AF2 | -1.0 | 1.0 | 1.0 | A | 276.0 | 276.0 | 0 | 30 | 30 | 0 | [[457, 716]] | 1.0 | AF-P15056-K3 | TKL_BRAF_HUMAN | TKL | 7.4e-82 | 280.8 | 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 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| TKL | BRAF | BRAF_HUMAN | AF-P15056-K1A | P15056 | 449 | 724 | 766.0 | No_ligand | No_ligand | Active | DFGin | 6.5777 | 14.0016 | BLAminus | -136.42, -168.61 | 54.52, 78.24 | -91.38, 15.3 | 291.45, 90.84 | -61.05, -27.93 | in-in | in | 8.7297 | Saltbr-in | 2.8056 | HRD-in | -73.46, -42.74 | 68.11, -17.22 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.8534 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -117.87, 119.19 | APE9-dihe-na | 120.45, -176.86 | APE8-dihe-in | -87.87, 116.2 | APE8-rot-in | 298.87 | APE67-dihe-in | -55.14, -36.76 | -47.67, -38.83 | APE12-dist-in | 12.6483 | APE11-dist-in | 12.3032 | APE10-dist-in | 6.8712 | APE9-dist-in | 5.7004 | None | None | None | AF2 | -1.0 | 1.0 | 1.0 | A | 276.0 | 276.0 | 0 | 30 | 30 | 0 | [[457, 716]] | 1.0 | AF-P15056-K1 | Homo sapiens | TKL_BRAF_HUMAN | TKL | 7.4e-82 | 280.8 | 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 |
| TKL | BRAF | BRAF_HUMAN | AF-P15056-K3A | P15056 | 449 | 724 | 766.0 | No_ligand | No_ligand | Active | DFGin | 6.4889 | 13.9065 | BLAminus | -136.13, -161.95 | 56.79, 58.46 | -83.12, 17.87 | 298.48, 102.52 | -58.43, -33.8 | in-in | in | 7.988 | Saltbr-in | 2.6954 | HRD-in | -75.87, -39.62 | 66.63, -12.61 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.8862 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -138.1, 139.45 | APE9-dihe-na | 110.12, -162.95 | APE8-dihe-in | -111.8, 115.95 | APE8-rot-in | 306.17 | APE67-dihe-in | -66.26, -25.72 | -56.57, -34.14 | APE12-dist-in | 11.8418 | APE11-dist-in | 12.1092 | APE10-dist-in | 6.4099 | APE9-dist-in | 4.0232 | None | None | None | AF2 | -1.0 | 1.0 | 1.0 | A | 276.0 | 276.0 | 0 | 30 | 30 | 0 | [[457, 716]] | 1.0 | AF-P15056-K3 | Homo sapiens | TKL_BRAF_HUMAN | TKL | 7.4e-82 | 280.8 | 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 |
|---|