| 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 | 7SHVA | P15056 | 449 | 721 | 766.0 | 29L:60801 | Type1 | Inactive | DFGin | 7.1485 | 13.9747 | BLAminus | -147.63, -169.13 | 58.79, 78.75 | -106.95, 34.37 | 285.73, 83.49 | -85.44, -39.06 | in-in | in | 8.58 | Saltbr-in | 2.6065 | HRD-in | -66.2, -50.26 | 77.35, -0.9 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.9123 | ActLoopCT-out | nonTYR | APEdihe_aaioi | APEdist_nnio | APE10-dihe-na | 999.0, -52.91 | APE9-dihe-na | 60.55, -7.98 | APE8-dihe-in | -83.24, 65.36 | APE8-rot-out | 38.35 | APE67-dihe-in | -63.32, -24.58 | -66.92, -44.45 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-in | 7.9594 | APE9-dist-out | 9.4973 | None | None | None | XRAY | 2.88 | 0.221 | 0.242 | A | 308.0 | 261.0 | 12 | 30 | 18 | 12 | [[457, 716]] | 1.0 | 7shv | 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 | 7SHVB | P15056 | 449 | 721 | 766.0 | 29L:60801 | Type1.5_Back | Inactive | DFGin | 6.7358 | 14.1706 | BLAminus | -147.31, -168.46 | 59.95, 68.87 | -90.82, 20.67 | 284.09, 50.14 | -57.74, -56.04 | in-in | in | 8.7709 | Saltbr-in | 2.8016 | HRD-in | -76.59, -37.99 | 67.86, -2.2 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.8593 | ActLoopCT-out | nonTYR | APEdihe_aaiii | APEdist_nnio | APE10-dihe-na | 999.0, -136.62 | APE9-dihe-na | -141.24, 15.82 | APE8-dihe-in | -103.28, 75.96 | APE8-rot-in | 280.52 | APE67-dihe-in | -56.94, -26.52 | -73.16, -41.98 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-in | 7.3912 | APE9-dist-out | 9.4021 | None | None | None | XRAY | 2.88 | 0.221 | 0.242 | B | 308.0 | 262.0 | 11 | 30 | 19 | 11 | [[457, 716]] | 1.0 | 7shv | 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 | 7SHVA | P15056 | 449 | 721 | 766.0 | 29L:60801 | Type1 | Inactive | DFGin | 7.1485 | 13.9747 | BLAminus | -147.63, -169.13 | 58.79, 78.75 | -106.95, 34.37 | 285.73, 83.49 | -85.44, -39.06 | in-in | in | 8.58 | Saltbr-in | 2.6065 | HRD-in | -66.2, -50.26 | 77.35, -0.9 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.9123 | ActLoopCT-out | nonTYR | APEdihe_aaioi | APEdist_nnio | APE10-dihe-na | 999.0, -52.91 | APE9-dihe-na | 60.55, -7.98 | APE8-dihe-in | -83.24, 65.36 | APE8-rot-out | 38.35 | APE67-dihe-in | -63.32, -24.58 | -66.92, -44.45 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-in | 7.9594 | APE9-dist-out | 9.4973 | None | None | None | XRAY | 2.88 | 0.221 | 0.242 | A | 308.0 | 261.0 | 12 | 30 | 18 | 12 | [[457, 716]] | 1.0 | 7shv | 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 | 7SHVB | P15056 | 449 | 721 | 766.0 | 29L:60801 | Type1.5_Back | Inactive | DFGin | 6.7358 | 14.1706 | BLAminus | -147.31, -168.46 | 59.95, 68.87 | -90.82, 20.67 | 284.09, 50.14 | -57.74, -56.04 | in-in | in | 8.7709 | Saltbr-in | 2.8016 | HRD-in | -76.59, -37.99 | 67.86, -2.2 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.8593 | ActLoopCT-out | nonTYR | APEdihe_aaiii | APEdist_nnio | APE10-dihe-na | 999.0, -136.62 | APE9-dihe-na | -141.24, 15.82 | APE8-dihe-in | -103.28, 75.96 | APE8-rot-in | 280.52 | APE67-dihe-in | -56.94, -26.52 | -73.16, -41.98 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-in | 7.3912 | APE9-dist-out | 9.4021 | None | None | None | XRAY | 2.88 | 0.221 | 0.242 | B | 308.0 | 262.0 | 11 | 30 | 19 | 11 | [[457, 716]] | 1.0 | 7shv | 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 |
|---|