| 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 | 1UWHA | P15056 | 448 | 723 | 766.0 | BAX:61723 | Type2 | Inactive | DFGout | 12.4951 | 11.4814 | BBAminus | -173.91, -166.78 | -121.32, 89.16 | -83.23, 16.41 | 301.34, 66.03 | -83.78, 148.03 | in-in | in | 8.4555 | Saltbr-in | 2.9891 | HRD-in | -65.62, -55.23 | 80.22, -7.91 | in-out-out | SNCioo | out-out | ActLoopNT-out | 14.5703 | ActLoopCT-out | nonTYR | APEdihe_aaioi | APEdist_nioo | APE10-dihe-na | -61.57, 175.06 | APE9-dihe-na | 174.29, 130.89 | APE8-dihe-in | -93.46, 78.64 | APE8-rot-out | 46.11 | APE67-dihe-in | -63.44, -27.03 | -60.72, -32.82 | APE12-dist-none | 999.0 | APE11-dist-in | 11.5951 | APE10-dist-out | 8.374 | APE9-dist-out | 8.6565 | None | None | None | XRAY | 2.95 | 0.222 | 0.257 | A | 276.0 | 264.0 | 12 | 30 | 18 | 12 | [[457, 716]] | 1.0 | 1uwh | TKL_BRAF_HUMAN | TKL | 1.8e-81 | 279.5 | 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 | 1UWHB | P15056 | 448 | 723 | 766.0 | BAX:61723 | Type2 | Inactive | DFGout | 12.4949 | 11.4909 | BBAminus | -173.56, -167.09 | -121.29, 88.77 | -83.17, 16.44 | 301.44, 65.99 | -83.54, 148.34 | in-in | in | 8.4379 | Saltbr-in | 2.9628 | HRD-in | -65.94, -55.1 | 80.05, -8.58 | in-out-out | SNCioo | out-out | ActLoopNT-out | 14.9879 | ActLoopCT-out | nonTYR | APEdihe_aaioi | APEdist_nioo | APE10-dihe-na | -54.44, 165.53 | APE9-dihe-na | -176.68, 134.04 | APE8-dihe-in | -91.08, 81.56 | APE8-rot-out | 44.97 | APE67-dihe-in | -53.91, -27.06 | -61.59, -40.98 | APE12-dist-none | 999.0 | APE11-dist-in | 11.1981 | APE10-dist-out | 8.7115 | APE9-dist-out | 9.0321 | None | None | None | XRAY | 2.95 | 0.222 | 0.257 | B | 276.0 | 264.0 | 12 | 30 | 18 | 12 | [[457, 716]] | 1.0 | 1uwh | TKL_BRAF_HUMAN | TKL | 1.8e-81 | 279.5 | 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 | 1UWHA | P15056 | 448 | 723 | 766.0 | BAX:61723 | Type2 | Inactive | DFGout | 12.4951 | 11.4814 | BBAminus | -173.91, -166.78 | -121.32, 89.16 | -83.23, 16.41 | 301.34, 66.03 | -83.78, 148.03 | in-in | in | 8.4555 | Saltbr-in | 2.9891 | HRD-in | -65.62, -55.23 | 80.22, -7.91 | in-out-out | SNCioo | out-out | ActLoopNT-out | 14.5703 | ActLoopCT-out | nonTYR | APEdihe_aaioi | APEdist_nioo | APE10-dihe-na | -61.57, 175.06 | APE9-dihe-na | 174.29, 130.89 | APE8-dihe-in | -93.46, 78.64 | APE8-rot-out | 46.11 | APE67-dihe-in | -63.44, -27.03 | -60.72, -32.82 | APE12-dist-none | 999.0 | APE11-dist-in | 11.5951 | APE10-dist-out | 8.374 | APE9-dist-out | 8.6565 | None | None | None | XRAY | 2.95 | 0.222 | 0.257 | A | 276.0 | 264.0 | 12 | 30 | 18 | 12 | [[457, 716]] | 1.0 | 1uwh | Homo sapiens | TKL_BRAF_HUMAN | TKL | 1.8e-81 | 279.5 | 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 | 1UWHB | P15056 | 448 | 723 | 766.0 | BAX:61723 | Type2 | Inactive | DFGout | 12.4949 | 11.4909 | BBAminus | -173.56, -167.09 | -121.29, 88.77 | -83.17, 16.44 | 301.44, 65.99 | -83.54, 148.34 | in-in | in | 8.4379 | Saltbr-in | 2.9628 | HRD-in | -65.94, -55.1 | 80.05, -8.58 | in-out-out | SNCioo | out-out | ActLoopNT-out | 14.9879 | ActLoopCT-out | nonTYR | APEdihe_aaioi | APEdist_nioo | APE10-dihe-na | -54.44, 165.53 | APE9-dihe-na | -176.68, 134.04 | APE8-dihe-in | -91.08, 81.56 | APE8-rot-out | 44.97 | APE67-dihe-in | -53.91, -27.06 | -61.59, -40.98 | APE12-dist-none | 999.0 | APE11-dist-in | 11.1981 | APE10-dist-out | 8.7115 | APE9-dist-out | 9.0321 | None | None | None | XRAY | 2.95 | 0.222 | 0.257 | B | 276.0 | 264.0 | 12 | 30 | 18 | 12 | [[457, 716]] | 1.0 | 1uwh | Homo sapiens | TKL_BRAF_HUMAN | TKL | 1.8e-81 | 279.5 | 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 |
|---|