| 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 | 4FC0A | P15056 | 448 | 722 | 766.0 | 0T2:60901 | Type2 | Inactive | DFGout | 12.1259 | 11.5858 | BBAminus | -153.59, -164.38 | -132.76, 92.72 | -91.26, 26.45 | 298.08, 84.06 | -114.26, 999.0 | in-in | in | 8.7957 | Saltbr-in | 2.6971 | HRD-in | -64.95, -50.81 | 80.25, -12.64 | in-none-out | SNCino | none-out | ActLoopNT-none | 999.0 | ActLoopCT-out | nonTYR | APEdihe_aaiii | APEdist_nnno | APE10-dihe-na | 999.0, 999.0 | APE9-dihe-na | 999.0, 154.13 | APE8-dihe-in | -107.59, 65.51 | APE8-rot-in | 301.84 | APE67-dihe-in | -60.02, -23.67 | -50.91, -43.26 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-none | 999.0 | APE9-dist-out | 8.5219 | None | None | None | XRAY | 2.95 | 0.2 | 0.243 | A | 284.0 | 254.0 | 21 | 30 | 12 | 18 | [[457, 716]] | 1.0 | 4fc0 | TKL_BRAF_HUMAN | TKL | 8.2e-82 | 280.6 | 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 | 4FC0B | P15056 | 448 | 720 | 766.0 | 0T2:60901 | Type2 | Inactive | DFGout | 12.2394 | 11.705 | BBAminus | -154.95, -168.83 | -118.03, 93.75 | -95.71, 51.36 | 301.2, 97.17 | -51.2, 96.43 | in-in | in | 8.2561 | Saltbr-in | 2.9249 | HRD-in | -64.51, -53.67 | 78.65, 1.79 | in-out-out | SNCioo | out-out | ActLoopNT-out | 18.6428 | ActLoopCT-out | nonTYR | APEdihe_aaiii | APEdist_nnno | APE10-dihe-na | 999.0, 999.0 | APE9-dihe-na | 999.0, -114.88 | APE8-dihe-in | -124.62, 102.83 | APE8-rot-in | 269.89 | APE67-dihe-in | -59.25, -18.38 | -83.24, -36.36 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-none | 999.0 | APE9-dist-out | 8.8904 | None | None | None | XRAY | 2.95 | 0.2 | 0.243 | B | 284.0 | 263.0 | 10 | 30 | 20 | 10 | [[457, 716]] | 1.0 | 4fc0 | TKL_BRAF_HUMAN | TKL | 8.2e-82 | 280.6 | 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 | 4FC0A | P15056 | 448 | 722 | 766.0 | 0T2:60901 | Type2 | Inactive | DFGout | 12.1259 | 11.5858 | BBAminus | -153.59, -164.38 | -132.76, 92.72 | -91.26, 26.45 | 298.08, 84.06 | -114.26, 999.0 | in-in | in | 8.7957 | Saltbr-in | 2.6971 | HRD-in | -64.95, -50.81 | 80.25, -12.64 | in-none-out | SNCino | none-out | ActLoopNT-none | 999.0 | ActLoopCT-out | nonTYR | APEdihe_aaiii | APEdist_nnno | APE10-dihe-na | 999.0, 999.0 | APE9-dihe-na | 999.0, 154.13 | APE8-dihe-in | -107.59, 65.51 | APE8-rot-in | 301.84 | APE67-dihe-in | -60.02, -23.67 | -50.91, -43.26 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-none | 999.0 | APE9-dist-out | 8.5219 | None | None | None | XRAY | 2.95 | 0.2 | 0.243 | A | 284.0 | 254.0 | 21 | 30 | 12 | 18 | [[457, 716]] | 1.0 | 4fc0 | Homo sapiens | TKL_BRAF_HUMAN | TKL | 8.2e-82 | 280.6 | 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 | 4FC0B | P15056 | 448 | 720 | 766.0 | 0T2:60901 | Type2 | Inactive | DFGout | 12.2394 | 11.705 | BBAminus | -154.95, -168.83 | -118.03, 93.75 | -95.71, 51.36 | 301.2, 97.17 | -51.2, 96.43 | in-in | in | 8.2561 | Saltbr-in | 2.9249 | HRD-in | -64.51, -53.67 | 78.65, 1.79 | in-out-out | SNCioo | out-out | ActLoopNT-out | 18.6428 | ActLoopCT-out | nonTYR | APEdihe_aaiii | APEdist_nnno | APE10-dihe-na | 999.0, 999.0 | APE9-dihe-na | 999.0, -114.88 | APE8-dihe-in | -124.62, 102.83 | APE8-rot-in | 269.89 | APE67-dihe-in | -59.25, -18.38 | -83.24, -36.36 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-none | 999.0 | APE9-dist-out | 8.8904 | None | None | None | XRAY | 2.95 | 0.2 | 0.243 | B | 284.0 | 263.0 | 10 | 30 | 20 | 10 | [[457, 716]] | 1.0 | 4fc0 | Homo sapiens | TKL_BRAF_HUMAN | TKL | 8.2e-82 | 280.6 | 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 |
|---|