| 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 | 3TV6A | P15056 | 448 | 723 | 766.0 | B0R:1 | Type1.5_Back | Inactive | DFGin | 5.2759 | 13.3765 | BLAplus | -121.97, -177.73 | 69.22, 15.6 | -85.44, -8.43 | 61.04, 102.69 | -77.52, 161.68 | out-out | out | 11.9474 | Saltbr-out | 10.65 | HRD-out | -67.75, -47.34 | 58.38, 69.46 | out-out-out | SNCooo | out-out | ActLoopNT-out | 8.4073 | ActLoopCT-out | nonTYR | APEdihe_aaoii | APEdist_nnoo | APE10-dihe-na | 999.0, 132.99 | APE9-dihe-na | 61.12, -175.64 | APE8-dihe-out | 54.5, 0.69 | APE8-rot-in | 303.6 | APE67-dihe-in | -61.66, -28.98 | -65.54, -27.56 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-out | 17.0171 | APE9-dist-out | 11.5248 | None | None | None | XRAY | 3.3 | 0.24 | 0.288 | A | 307.0 | 268.0 | 8 | 30 | 22 | 8 | [[457, 716]] | 1.0 | 3tv6 | 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 | 3TV6B | P15056 | 448 | 723 | 766.0 | B0R:1 | Type1.5_Back | Inactive | DFGin | 5.5023 | 13.8429 | BLAplus | -125.08, -169.86 | 55.0, 38.89 | -104.29, -19.25 | 56.18, 93.9 | -40.71, -81.07 | out-out | out | 11.8689 | Saltbr-out | 10.4925 | HRD-in | -64.31, -49.25 | 75.66, -4.37 | out-out-out | SNCooo | out-out | ActLoopNT-out | 8.3823 | ActLoopCT-out | nonTYR | APEdihe_aaoii | APEdist_iooo | APE10-dihe-na | -72.44, -33.04 | APE9-dihe-na | -83.46, 25.61 | APE8-dihe-out | -151.0, 10.45 | APE8-rot-in | 297.95 | APE67-dihe-in | -66.52, -19.91 | -69.09, -32.84 | APE12-dist-in | 11.2169 | APE11-dist-out | 14.7503 | APE10-dist-out | 18.3205 | APE9-dist-out | 10.4044 | None | None | None | XRAY | 3.3 | 0.24 | 0.288 | B | 307.0 | 276.0 | 0 | 30 | 30 | 0 | [[457, 716]] | 1.0 | 3tv6 | 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 | 3TV6A | P15056 | 448 | 723 | 766.0 | B0R:1 | Type1.5_Back | Inactive | DFGin | 5.2759 | 13.3765 | BLAplus | -121.97, -177.73 | 69.22, 15.6 | -85.44, -8.43 | 61.04, 102.69 | -77.52, 161.68 | out-out | out | 11.9474 | Saltbr-out | 10.65 | HRD-out | -67.75, -47.34 | 58.38, 69.46 | out-out-out | SNCooo | out-out | ActLoopNT-out | 8.4073 | ActLoopCT-out | nonTYR | APEdihe_aaoii | APEdist_nnoo | APE10-dihe-na | 999.0, 132.99 | APE9-dihe-na | 61.12, -175.64 | APE8-dihe-out | 54.5, 0.69 | APE8-rot-in | 303.6 | APE67-dihe-in | -61.66, -28.98 | -65.54, -27.56 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-out | 17.0171 | APE9-dist-out | 11.5248 | None | None | None | XRAY | 3.3 | 0.24 | 0.288 | A | 307.0 | 268.0 | 8 | 30 | 22 | 8 | [[457, 716]] | 1.0 | 3tv6 | 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 | 3TV6B | P15056 | 448 | 723 | 766.0 | B0R:1 | Type1.5_Back | Inactive | DFGin | 5.5023 | 13.8429 | BLAplus | -125.08, -169.86 | 55.0, 38.89 | -104.29, -19.25 | 56.18, 93.9 | -40.71, -81.07 | out-out | out | 11.8689 | Saltbr-out | 10.4925 | HRD-in | -64.31, -49.25 | 75.66, -4.37 | out-out-out | SNCooo | out-out | ActLoopNT-out | 8.3823 | ActLoopCT-out | nonTYR | APEdihe_aaoii | APEdist_iooo | APE10-dihe-na | -72.44, -33.04 | APE9-dihe-na | -83.46, 25.61 | APE8-dihe-out | -151.0, 10.45 | APE8-rot-in | 297.95 | APE67-dihe-in | -66.52, -19.91 | -69.09, -32.84 | APE12-dist-in | 11.2169 | APE11-dist-out | 14.7503 | APE10-dist-out | 18.3205 | APE9-dist-out | 10.4044 | None | None | None | XRAY | 3.3 | 0.24 | 0.288 | B | 307.0 | 276.0 | 0 | 30 | 30 | 0 | [[457, 716]] | 1.0 | 3tv6 | 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 |
|---|