| 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 | 4G9CA | P15056 | 448 | 723 | 766.0 | 0WP:801 | Type2 | Inactive | DFGout | 12.3227 | 11.9566 | BBAminus | -161.79, -178.1 | -114.62, 68.22 | -59.97, -23.71 | 305.31, 100.52 | 75.79, -130.3 | in-in | in | 8.4619 | Saltbr-in | 2.898 | HRD-in | -82.65, -45.05 | 76.52, 0.21 | in-out-out | SNCioo | out-out | ActLoopNT-out | 18.9429 | ActLoopCT-out | nonTYR | APEdihe_aaiii | APEdist_nooo | APE10-dihe-na | -63.56, -116.68 | APE9-dihe-na | 141.17, 171.61 | APE8-dihe-in | -108.81, 106.37 | APE8-rot-in | 322.97 | APE67-dihe-in | -54.58, -37.58 | -76.8, -42.56 | APE12-dist-none | 999.0 | APE11-dist-out | 14.1976 | APE10-dist-out | 11.0221 | APE9-dist-out | 8.8522 | None | None | None | XRAY | 3.5 | 0.262 | 0.291 | A | 307.0 | 265.0 | 11 | 30 | 19 | 11 | [[457, 716]] | 1.0 | 4g9c | TKL_BRAF_HUMAN | TKL | 1.1e-81 | 280.3 | 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 | 4G9CB | P15056 | 448 | 723 | 766.0 | 0WP:801 | Type2 | Inactive | DFGout | 12.3716 | 11.6747 | BBAminus | -162.63, -177.84 | -114.09, 70.68 | -59.01, -42.42 | 300.41, 107.75 | -27.19, 128.65 | in-in | in | 8.505 | Saltbr-in | 2.9141 | HRD-in | -80.74, -47.08 | 78.89, -0.43 | in-out-out | SNCioo | out-out | ActLoopNT-out | 16.5509 | ActLoopCT-out | nonTYR | APEdihe_aaiii | APEdist_nioo | APE10-dihe-na | -65.14, -116.41 | APE9-dihe-na | 140.87, 171.82 | APE8-dihe-in | -109.02, 105.11 | APE8-rot-in | 323.76 | APE67-dihe-in | -55.25, -37.4 | -76.81, -41.18 | APE12-dist-none | 999.0 | APE11-dist-in | 13.6214 | APE10-dist-out | 11.7373 | APE9-dist-out | 8.8689 | None | None | None | XRAY | 3.5 | 0.262 | 0.291 | B | 307.0 | 264.0 | 12 | 30 | 18 | 12 | [[457, 716]] | 1.0 | 4g9c | TKL_BRAF_HUMAN | TKL | 1.1e-81 | 280.3 | 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 | 4G9CA | P15056 | 448 | 723 | 766.0 | 0WP:801 | Type2 | Inactive | DFGout | 12.3227 | 11.9566 | BBAminus | -161.79, -178.1 | -114.62, 68.22 | -59.97, -23.71 | 305.31, 100.52 | 75.79, -130.3 | in-in | in | 8.4619 | Saltbr-in | 2.898 | HRD-in | -82.65, -45.05 | 76.52, 0.21 | in-out-out | SNCioo | out-out | ActLoopNT-out | 18.9429 | ActLoopCT-out | nonTYR | APEdihe_aaiii | APEdist_nooo | APE10-dihe-na | -63.56, -116.68 | APE9-dihe-na | 141.17, 171.61 | APE8-dihe-in | -108.81, 106.37 | APE8-rot-in | 322.97 | APE67-dihe-in | -54.58, -37.58 | -76.8, -42.56 | APE12-dist-none | 999.0 | APE11-dist-out | 14.1976 | APE10-dist-out | 11.0221 | APE9-dist-out | 8.8522 | None | None | None | XRAY | 3.5 | 0.262 | 0.291 | A | 307.0 | 265.0 | 11 | 30 | 19 | 11 | [[457, 716]] | 1.0 | 4g9c | Homo sapiens | TKL_BRAF_HUMAN | TKL | 1.1e-81 | 280.3 | 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 | 4G9CB | P15056 | 448 | 723 | 766.0 | 0WP:801 | Type2 | Inactive | DFGout | 12.3716 | 11.6747 | BBAminus | -162.63, -177.84 | -114.09, 70.68 | -59.01, -42.42 | 300.41, 107.75 | -27.19, 128.65 | in-in | in | 8.505 | Saltbr-in | 2.9141 | HRD-in | -80.74, -47.08 | 78.89, -0.43 | in-out-out | SNCioo | out-out | ActLoopNT-out | 16.5509 | ActLoopCT-out | nonTYR | APEdihe_aaiii | APEdist_nioo | APE10-dihe-na | -65.14, -116.41 | APE9-dihe-na | 140.87, 171.82 | APE8-dihe-in | -109.02, 105.11 | APE8-rot-in | 323.76 | APE67-dihe-in | -55.25, -37.4 | -76.81, -41.18 | APE12-dist-none | 999.0 | APE11-dist-in | 13.6214 | APE10-dist-out | 11.7373 | APE9-dist-out | 8.8689 | None | None | None | XRAY | 3.5 | 0.262 | 0.291 | B | 307.0 | 264.0 | 12 | 30 | 18 | 12 | [[457, 716]] | 1.0 | 4g9c | Homo sapiens | TKL_BRAF_HUMAN | TKL | 1.1e-81 | 280.3 | 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 |
|---|