| 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 | 6N0PA | P15056 | 449 | 721 | 766.0 | K81:801 | Type2 | Inactive | DFGout | 12.2144 | 11.8777 | BBAminus | -150.84, -166.36 | -133.26, 90.72 | -86.01, 5.11 | 312.19, 120.29 | -83.35, 143.89 | in-in | in | 8.6184 | Saltbr-in | 2.7918 | HRD-in | -60.05, -51.45 | 77.42, -10.85 | in-out-out | SNCioo | out-out | ActLoopNT-out | 13.6639 | ActLoopCT-out | nonTYR | APEdihe_aaoii | APEdist_oioo | APE10-dihe-na | -167.57, 118.61 | APE9-dihe-na | -72.7, 74.77 | APE8-dihe-out | -135.49, 20.32 | APE8-rot-in | 288.2 | APE67-dihe-in | -64.39, -23.79 | -58.12, -33.58 | APE12-dist-out | 15.2904 | APE11-dist-in | 12.9991 | APE10-dist-out | 9.6214 | APE9-dist-out | 10.5042 | None | None | None | XRAY | 2.37 | 0.196 | 0.233 | A | 273.0 | 268.0 | 5 | 30 | 25 | 5 | [[457, 716]] | 1.0 | 6n0p | TKL_BRAF_HUMAN | TKL | 7.1e-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 | 6N0PB | P15056 | 449 | 721 | 766.0 | K81:801 | Type2 | Inactive | DFGout | 12.2704 | 11.6014 | BBAminus | -154.33, -158.54 | -140.36, 105.46 | -99.62, 9.7 | 309.45, 119.59 | -74.9, 146.92 | in-in | in | 8.4763 | Saltbr-in | 2.7934 | HRD-in | -59.73, -52.44 | 77.31, -9.83 | in-none-out | SNCino | none-out | ActLoopNT-none | 999.0 | ActLoopCT-out | nonTYR | APEdihe_aaooi | APEdist_nnoo | APE10-dihe-na | 999.0, 63.33 | APE9-dihe-na | 137.65, 178.51 | APE8-dihe-out | 52.67, 41.68 | APE8-rot-out | 72.23 | APE67-dihe-in | -63.68, -28.63 | -72.48, -21.77 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-out | 11.1273 | APE9-dist-out | 9.729 | None | None | None | XRAY | 2.37 | 0.196 | 0.233 | B | 273.0 | 256.0 | 17 | 30 | 15 | 15 | [[457, 716]] | 1.0 | 6n0p | TKL_BRAF_HUMAN | TKL | 7.1e-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 | 6N0PA | P15056 | 449 | 721 | 766.0 | K81:801 | Type2 | Inactive | DFGout | 12.2144 | 11.8777 | BBAminus | -150.84, -166.36 | -133.26, 90.72 | -86.01, 5.11 | 312.19, 120.29 | -83.35, 143.89 | in-in | in | 8.6184 | Saltbr-in | 2.7918 | HRD-in | -60.05, -51.45 | 77.42, -10.85 | in-out-out | SNCioo | out-out | ActLoopNT-out | 13.6639 | ActLoopCT-out | nonTYR | APEdihe_aaoii | APEdist_oioo | APE10-dihe-na | -167.57, 118.61 | APE9-dihe-na | -72.7, 74.77 | APE8-dihe-out | -135.49, 20.32 | APE8-rot-in | 288.2 | APE67-dihe-in | -64.39, -23.79 | -58.12, -33.58 | APE12-dist-out | 15.2904 | APE11-dist-in | 12.9991 | APE10-dist-out | 9.6214 | APE9-dist-out | 10.5042 | None | None | None | XRAY | 2.37 | 0.196 | 0.233 | A | 273.0 | 268.0 | 5 | 30 | 25 | 5 | [[457, 716]] | 1.0 | 6n0p | Homo sapiens | TKL_BRAF_HUMAN | TKL | 7.1e-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 | 6N0PB | P15056 | 449 | 721 | 766.0 | K81:801 | Type2 | Inactive | DFGout | 12.2704 | 11.6014 | BBAminus | -154.33, -158.54 | -140.36, 105.46 | -99.62, 9.7 | 309.45, 119.59 | -74.9, 146.92 | in-in | in | 8.4763 | Saltbr-in | 2.7934 | HRD-in | -59.73, -52.44 | 77.31, -9.83 | in-none-out | SNCino | none-out | ActLoopNT-none | 999.0 | ActLoopCT-out | nonTYR | APEdihe_aaooi | APEdist_nnoo | APE10-dihe-na | 999.0, 63.33 | APE9-dihe-na | 137.65, 178.51 | APE8-dihe-out | 52.67, 41.68 | APE8-rot-out | 72.23 | APE67-dihe-in | -63.68, -28.63 | -72.48, -21.77 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-out | 11.1273 | APE9-dist-out | 9.729 | None | None | None | XRAY | 2.37 | 0.196 | 0.233 | B | 273.0 | 256.0 | 17 | 30 | 15 | 15 | [[457, 716]] | 1.0 | 6n0p | Homo sapiens | TKL_BRAF_HUMAN | TKL | 7.1e-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 |
|---|