| 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 | 3PPJA | P15056 | 448 | 723 | 766.0 | FOI:727 | Type1.5_Back | Inactive | DFGin | 6.5124 | 14.1436 | BLAminus | -118.68, 162.14 | 70.52, 93.12 | -108.75, 36.02 | 292.03, 61.87 | -65.84, -21.38 | in-in | in | 8.5924 | Saltbr-in | 2.7345 | HRD-in | -81.51, -38.2 | 60.89, 6.44 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.9033 | ActLoopCT-out | nonTYR | APEdihe_aaiii | APEdist_nnno | APE10-dihe-na | 999.0, 999.0 | APE9-dihe-na | 999.0, -75.6 | APE8-dihe-in | -107.01, 122.44 | APE8-rot-in | 355.7 | APE67-dihe-in | -62.87, -11.96 | -106.79, -22.04 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-none | 999.0 | APE9-dist-out | 8.7007 | None | None | None | XRAY | 3.7 | 0.251 | 0.272 | A | 307.0 | 262.0 | 14 | 30 | 16 | 14 | [[457, 716]] | 1.0 | 3ppj | 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 | 3PPJB | P15056 | 448 | 723 | 766.0 | FOI:727 | Type1.5_Back | Inactive | DFGin | 6.4985 | 14.158 | BLAminus | -117.7, 161.15 | 71.69, 92.42 | -107.49, 34.88 | 292.55, 61.48 | -64.16, -21.41 | in-in | in | 8.5988 | Saltbr-in | 2.7619 | HRD-in | -81.58, -39.05 | 61.66, 5.65 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.8993 | ActLoopCT-out | nonTYR | APEdihe_aaiii | APEdist_nioo | APE10-dihe-na | -45.39, 125.84 | APE9-dihe-na | -167.47, -85.86 | APE8-dihe-in | -107.52, 124.34 | APE8-rot-in | 353.86 | APE67-dihe-in | -62.54, -12.0 | -107.16, -21.64 | APE12-dist-none | 999.0 | APE11-dist-in | 8.4781 | APE10-dist-out | 11.7078 | APE9-dist-out | 8.6276 | None | None | None | XRAY | 3.7 | 0.251 | 0.272 | B | 307.0 | 264.0 | 12 | 30 | 18 | 12 | [[457, 716]] | 1.0 | 3ppj | 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 | 3PPJA | P15056 | 448 | 723 | 766.0 | FOI:727 | Type1.5_Back | Inactive | DFGin | 6.5124 | 14.1436 | BLAminus | -118.68, 162.14 | 70.52, 93.12 | -108.75, 36.02 | 292.03, 61.87 | -65.84, -21.38 | in-in | in | 8.5924 | Saltbr-in | 2.7345 | HRD-in | -81.51, -38.2 | 60.89, 6.44 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.9033 | ActLoopCT-out | nonTYR | APEdihe_aaiii | APEdist_nnno | APE10-dihe-na | 999.0, 999.0 | APE9-dihe-na | 999.0, -75.6 | APE8-dihe-in | -107.01, 122.44 | APE8-rot-in | 355.7 | APE67-dihe-in | -62.87, -11.96 | -106.79, -22.04 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-none | 999.0 | APE9-dist-out | 8.7007 | None | None | None | XRAY | 3.7 | 0.251 | 0.272 | A | 307.0 | 262.0 | 14 | 30 | 16 | 14 | [[457, 716]] | 1.0 | 3ppj | 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 | 3PPJB | P15056 | 448 | 723 | 766.0 | FOI:727 | Type1.5_Back | Inactive | DFGin | 6.4985 | 14.158 | BLAminus | -117.7, 161.15 | 71.69, 92.42 | -107.49, 34.88 | 292.55, 61.48 | -64.16, -21.41 | in-in | in | 8.5988 | Saltbr-in | 2.7619 | HRD-in | -81.58, -39.05 | 61.66, 5.65 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.8993 | ActLoopCT-out | nonTYR | APEdihe_aaiii | APEdist_nioo | APE10-dihe-na | -45.39, 125.84 | APE9-dihe-na | -167.47, -85.86 | APE8-dihe-in | -107.52, 124.34 | APE8-rot-in | 353.86 | APE67-dihe-in | -62.54, -12.0 | -107.16, -21.64 | APE12-dist-none | 999.0 | APE11-dist-in | 8.4781 | APE10-dist-out | 11.7078 | APE9-dist-out | 8.6276 | None | None | None | XRAY | 3.7 | 0.251 | 0.272 | B | 307.0 | 264.0 | 12 | 30 | 18 | 12 | [[457, 716]] | 1.0 | 3ppj | 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 |
|---|