| 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 | 3PSBA | P15056 | 448 | 723 | 766.0 | SM6:1 | Type1 | Inactive | DFGin | 6.6616 | 14.269 | BLAminus | -125.3, 175.18 | 70.16, 91.03 | -111.9, 31.45 | 288.37, 77.4 | -63.51, -33.07 | in-in | in | 8.9046 | Saltbr-in | 2.8155 | HRD-in | -79.27, -40.84 | 66.72, 0.33 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.8631 | ActLoopCT-out | nonTYR | APEdihe_aaioi | APEdist_nnno | APE10-dihe-na | 999.0, 999.0 | APE9-dihe-na | 999.0, -36.93 | APE8-dihe-in | -106.54, 109.48 | APE8-rot-out | 47.62 | APE67-dihe-in | -64.21, -24.1 | -90.91, -19.89 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-none | 999.0 | APE9-dist-out | 8.5481 | None | None | None | XRAY | 3.4 | 0.227 | 0.268 | A | 307.0 | 262.0 | 14 | 30 | 16 | 14 | [[457, 716]] | 1.0 | 3psb | 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 | 3PSBB | P15056 | 448 | 723 | 766.0 | SM6:2 | Type1 | Inactive | DFGin | 6.4541 | 14.3341 | BLAminus | -122.43, 177.07 | 60.31, 95.43 | -106.26, 23.21 | 282.6, 72.21 | -49.54, -41.79 | in-in | in | 8.9628 | Saltbr-in | 2.8863 | HRD-in | -72.06, -46.11 | 69.91, 7.1 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.8836 | ActLoopCT-out | nonTYR | APEdihe_aaioi | APEdist_nioo | APE10-dihe-na | -97.04, -173.46 | APE9-dihe-na | 154.34, -136.18 | APE8-dihe-in | -110.25, 135.65 | APE8-rot-out | 42.37 | APE67-dihe-in | -65.97, -15.91 | -96.73, -17.75 | APE12-dist-none | 999.0 | APE11-dist-in | 8.3008 | APE10-dist-out | 10.3704 | APE9-dist-out | 7.5594 | None | None | None | XRAY | 3.4 | 0.227 | 0.268 | B | 307.0 | 264.0 | 12 | 30 | 18 | 12 | [[457, 716]] | 1.0 | 3psb | 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 | 3PSBA | P15056 | 448 | 723 | 766.0 | SM6:1 | Type1 | Inactive | DFGin | 6.6616 | 14.269 | BLAminus | -125.3, 175.18 | 70.16, 91.03 | -111.9, 31.45 | 288.37, 77.4 | -63.51, -33.07 | in-in | in | 8.9046 | Saltbr-in | 2.8155 | HRD-in | -79.27, -40.84 | 66.72, 0.33 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.8631 | ActLoopCT-out | nonTYR | APEdihe_aaioi | APEdist_nnno | APE10-dihe-na | 999.0, 999.0 | APE9-dihe-na | 999.0, -36.93 | APE8-dihe-in | -106.54, 109.48 | APE8-rot-out | 47.62 | APE67-dihe-in | -64.21, -24.1 | -90.91, -19.89 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-none | 999.0 | APE9-dist-out | 8.5481 | None | None | None | XRAY | 3.4 | 0.227 | 0.268 | A | 307.0 | 262.0 | 14 | 30 | 16 | 14 | [[457, 716]] | 1.0 | 3psb | 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 | 3PSBB | P15056 | 448 | 723 | 766.0 | SM6:2 | Type1 | Inactive | DFGin | 6.4541 | 14.3341 | BLAminus | -122.43, 177.07 | 60.31, 95.43 | -106.26, 23.21 | 282.6, 72.21 | -49.54, -41.79 | in-in | in | 8.9628 | Saltbr-in | 2.8863 | HRD-in | -72.06, -46.11 | 69.91, 7.1 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.8836 | ActLoopCT-out | nonTYR | APEdihe_aaioi | APEdist_nioo | APE10-dihe-na | -97.04, -173.46 | APE9-dihe-na | 154.34, -136.18 | APE8-dihe-in | -110.25, 135.65 | APE8-rot-out | 42.37 | APE67-dihe-in | -65.97, -15.91 | -96.73, -17.75 | APE12-dist-none | 999.0 | APE11-dist-in | 8.3008 | APE10-dist-out | 10.3704 | APE9-dist-out | 7.5594 | None | None | None | XRAY | 3.4 | 0.227 | 0.268 | B | 307.0 | 264.0 | 12 | 30 | 18 | 12 | [[457, 716]] | 1.0 | 3psb | 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 |
|---|