| 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 | 8F7PA | P15056 | 449 | 721 | 766.0 | K81:801 | Type2 | Inactive | DFGout | 12.2709 | 11.6277 | BBAminus | -156.68, -164.15 | -121.75, 85.43 | -84.12, 10.71 | 303.7, 107.46 | -81.06, 134.26 | in-in | in | 8.8882 | Saltbr-in | 3.0139 | HRD-in | -73.5, -44.32 | 71.2, -9.26 | in-out-out | SNCioo | out-out | ActLoopNT-out | 18.5605 | ActLoopCT-out | nonTYR | APEdihe_aaoii | APEdist_nnno | APE10-dihe-na | 999.0, 999.0 | APE9-dihe-na | 999.0, 33.99 | APE8-dihe-out | -134.95, 21.55 | APE8-rot-in | 320.31 | APE67-dihe-in | -64.87, -22.48 | -65.57, -35.76 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-none | 999.0 | APE9-dist-out | 10.6193 | None | None | None | XRAY | 2.74 | 0.216 | 0.258 | A | 283.0 | 255.0 | 18 | 30 | 16 | 14 | [[457, 716]] | 1.0 | 8f7p | TKL_BRAF_HUMAN | TKL | 4.7e-84 | 288.0 | 4.0 | 267.0 | 264.0 | 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 | 8F7PB | P15056 | 448 | 721 | 766.0 | K81:801 | Type2 | Inactive | DFGout | 12.6067 | 12.0071 | BBAminus | -155.49, -166.94 | -122.97, 87.7 | -80.57, 10.81 | 303.23, 78.54 | -77.37, 131.38 | in-in | in | 8.7872 | Saltbr-in | 2.4385 | HRD-in | -71.72, -41.08 | 70.64, -13.43 | in-out-out | SNCioo | out-out | ActLoopNT-out | 16.028 | ActLoopCT-out | nonTYR | APEdihe_aaoii | APEdist_nioo | APE10-dihe-na | -51.39, -20.78 | APE9-dihe-na | -101.13, 28.63 | APE8-dihe-out | -146.13, 10.57 | APE8-rot-in | 318.08 | APE67-dihe-in | -64.57, -22.2 | -69.36, -34.46 | APE12-dist-none | 999.0 | APE11-dist-in | 13.0181 | APE10-dist-out | 13.8236 | APE9-dist-out | 10.7762 | None | None | None | XRAY | 2.74 | 0.216 | 0.258 | B | 283.0 | 265.0 | 9 | 30 | 24 | 6 | [[457, 716]] | 1.0 | 8f7p | TKL_BRAF_HUMAN | TKL | 4.7e-84 | 288.0 | 4.0 | 267.0 | 264.0 | 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 | 8F7PA | P15056 | 449 | 721 | 766.0 | K81:801 | Type2 | Inactive | DFGout | 12.2709 | 11.6277 | BBAminus | -156.68, -164.15 | -121.75, 85.43 | -84.12, 10.71 | 303.7, 107.46 | -81.06, 134.26 | in-in | in | 8.8882 | Saltbr-in | 3.0139 | HRD-in | -73.5, -44.32 | 71.2, -9.26 | in-out-out | SNCioo | out-out | ActLoopNT-out | 18.5605 | ActLoopCT-out | nonTYR | APEdihe_aaoii | APEdist_nnno | APE10-dihe-na | 999.0, 999.0 | APE9-dihe-na | 999.0, 33.99 | APE8-dihe-out | -134.95, 21.55 | APE8-rot-in | 320.31 | APE67-dihe-in | -64.87, -22.48 | -65.57, -35.76 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-none | 999.0 | APE9-dist-out | 10.6193 | None | None | None | XRAY | 2.74 | 0.216 | 0.258 | A | 283.0 | 255.0 | 18 | 30 | 16 | 14 | [[457, 716]] | 1.0 | 8f7p | Homo sapiens | TKL_BRAF_HUMAN | TKL | 4.7e-84 | 288.0 | 4.0 | 267.0 | 264.0 | 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 | 8F7PB | P15056 | 448 | 721 | 766.0 | K81:801 | Type2 | Inactive | DFGout | 12.6067 | 12.0071 | BBAminus | -155.49, -166.94 | -122.97, 87.7 | -80.57, 10.81 | 303.23, 78.54 | -77.37, 131.38 | in-in | in | 8.7872 | Saltbr-in | 2.4385 | HRD-in | -71.72, -41.08 | 70.64, -13.43 | in-out-out | SNCioo | out-out | ActLoopNT-out | 16.028 | ActLoopCT-out | nonTYR | APEdihe_aaoii | APEdist_nioo | APE10-dihe-na | -51.39, -20.78 | APE9-dihe-na | -101.13, 28.63 | APE8-dihe-out | -146.13, 10.57 | APE8-rot-in | 318.08 | APE67-dihe-in | -64.57, -22.2 | -69.36, -34.46 | APE12-dist-none | 999.0 | APE11-dist-in | 13.0181 | APE10-dist-out | 13.8236 | APE9-dist-out | 10.7762 | None | None | None | XRAY | 2.74 | 0.216 | 0.258 | B | 283.0 | 265.0 | 9 | 30 | 24 | 6 | [[457, 716]] | 1.0 | 8f7p | Homo sapiens | TKL_BRAF_HUMAN | TKL | 4.7e-84 | 288.0 | 4.0 | 267.0 | 264.0 | 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 |
|---|