| 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 | 4MBJA | P15056 | 448 | 723 | 766.0 | DFS:801 | Type1.5_Back | Inactive | DFGin | 5.0397 | 14.1722 | None | -105.17, -97.55 | -92.89, 45.25 | -92.17, -5.13 | 71.79, 75.67 | -66.15, 168.52 | out-out | out | 11.9053 | Saltbr-out | 10.1254 | HRD-in | -75.95, -40.1 | 71.4, -7.47 | out-out-out | SNCooo | out-out | ActLoopNT-out | 8.6902 | ActLoopCT-out | nonTYR | APEdihe_aaioi | APEdist_nooo | APE10-dihe-na | 173.82, -65.98 | APE9-dihe-na | -61.43, -19.22 | APE8-dihe-in | -120.24, 91.44 | APE8-rot-out | 31.9 | APE67-dihe-in | -51.31, -26.45 | -118.43, -32.49 | APE12-dist-none | 999.0 | APE11-dist-out | 14.5191 | APE10-dist-out | 17.7046 | APE9-dist-out | 11.0704 | None | None | None | XRAY | 3.6 | 0.276 | 0.328 | A | 304.0 | 269.0 | 7 | 30 | 23 | 7 | [[457, 716]] | 1.0 | 4mbj | 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 | 4MBJB | P15056 | 448 | 723 | 766.0 | DFS:801 | Type1.5_Back | Inactive | DFGin | 5.0227 | 14.1491 | None | -106.4, -95.1 | -95.18, 47.42 | -92.84, -5.68 | 72.56, 75.57 | -66.19, 170.04 | out-out | out | 11.925 | Saltbr-out | 10.2011 | HRD-in | -72.66, -45.72 | 76.66, -7.37 | out-out-out | SNCooo | out-out | ActLoopNT-out | 8.7036 | ActLoopCT-out | nonTYR | APEdihe_aaioi | APEdist_iooo | APE10-dihe-na | 171.46, -66.25 | APE9-dihe-na | -61.77, -19.59 | APE8-dihe-in | -119.83, 90.82 | APE8-rot-out | 33.61 | APE67-dihe-in | -51.95, -27.84 | -118.81, -32.64 | APE12-dist-in | 11.2516 | APE11-dist-out | 14.4922 | APE10-dist-out | 17.6929 | APE9-dist-out | 11.058 | None | None | None | XRAY | 3.6 | 0.276 | 0.328 | B | 304.0 | 276.0 | 0 | 30 | 30 | 0 | [[457, 716]] | 1.0 | 4mbj | 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 | 4MBJA | P15056 | 448 | 723 | 766.0 | DFS:801 | Type1.5_Back | Inactive | DFGin | 5.0397 | 14.1722 | None | -105.17, -97.55 | -92.89, 45.25 | -92.17, -5.13 | 71.79, 75.67 | -66.15, 168.52 | out-out | out | 11.9053 | Saltbr-out | 10.1254 | HRD-in | -75.95, -40.1 | 71.4, -7.47 | out-out-out | SNCooo | out-out | ActLoopNT-out | 8.6902 | ActLoopCT-out | nonTYR | APEdihe_aaioi | APEdist_nooo | APE10-dihe-na | 173.82, -65.98 | APE9-dihe-na | -61.43, -19.22 | APE8-dihe-in | -120.24, 91.44 | APE8-rot-out | 31.9 | APE67-dihe-in | -51.31, -26.45 | -118.43, -32.49 | APE12-dist-none | 999.0 | APE11-dist-out | 14.5191 | APE10-dist-out | 17.7046 | APE9-dist-out | 11.0704 | None | None | None | XRAY | 3.6 | 0.276 | 0.328 | A | 304.0 | 269.0 | 7 | 30 | 23 | 7 | [[457, 716]] | 1.0 | 4mbj | 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 | 4MBJB | P15056 | 448 | 723 | 766.0 | DFS:801 | Type1.5_Back | Inactive | DFGin | 5.0227 | 14.1491 | None | -106.4, -95.1 | -95.18, 47.42 | -92.84, -5.68 | 72.56, 75.57 | -66.19, 170.04 | out-out | out | 11.925 | Saltbr-out | 10.2011 | HRD-in | -72.66, -45.72 | 76.66, -7.37 | out-out-out | SNCooo | out-out | ActLoopNT-out | 8.7036 | ActLoopCT-out | nonTYR | APEdihe_aaioi | APEdist_iooo | APE10-dihe-na | 171.46, -66.25 | APE9-dihe-na | -61.77, -19.59 | APE8-dihe-in | -119.83, 90.82 | APE8-rot-out | 33.61 | APE67-dihe-in | -51.95, -27.84 | -118.81, -32.64 | APE12-dist-in | 11.2516 | APE11-dist-out | 14.4922 | APE10-dist-out | 17.6929 | APE9-dist-out | 11.058 | None | None | None | XRAY | 3.6 | 0.276 | 0.328 | B | 304.0 | 276.0 | 0 | 30 | 30 | 0 | [[457, 716]] | 1.0 | 4mbj | 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 |
|---|