| 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 | 3Q4CB | P15056 | 448 | 723 | 766.0 | No_ligand | No_ligand | Inactive | DFGin | 6.5451 | 14.5585 | BLAminus | -146.12, -159.83 | 35.91, 93.44 | -110.83, 27.67 | 289.71, 99.42 | -62.68, -9.95 | in-in | in | 8.1482 | Saltbr-in | 3.0511 | HRD-in | -70.95, -56.96 | 74.51, 13.37 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.8699 | ActLoopCT-out | nonTYR | APEdihe_aaioi | APEdist_nnoo | APE10-dihe-na | 999.0, 84.43 | APE9-dihe-na | -83.51, 57.43 | APE8-dihe-in | -129.0, 61.86 | APE8-rot-out | 58.54 | APE67-dihe-in | -58.42, -27.85 | -82.03, -13.47 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-out | 9.2078 | APE9-dist-out | 10.9727 | None | None | None | XRAY | 3.2 | 0.232 | 0.28 | B | 307.0 | 264.0 | 12 | 30 | 18 | 12 | [[457, 716]] | 1.0 | 3q4c | 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 | 3Q4CA | P15056 | 448 | 723 | 766.0 | RSW:60001 | Type1 | Inactive | DFGin | 6.4442 | 14.2346 | BLAminus | -146.59, -170.54 | 63.5, 77.08 | -100.12, 34.36 | 288.59, 75.88 | -64.75, -40.97 | in-in | in | 8.5519 | Saltbr-in | 3.4311 | HRD-in | -69.37, -57.8 | 78.74, 3.85 | in-in-out | SNCiio | in-out | ActLoopNT-in | 3.1391 | ActLoopCT-out | nonTYR | APEdihe_aaioi | APEdist_nnoo | APE10-dihe-na | 999.0, 83.59 | APE9-dihe-na | -85.67, 50.75 | APE8-dihe-in | -115.48, 63.75 | APE8-rot-out | 49.22 | APE67-dihe-in | -67.89, -18.46 | -76.77, -7.21 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-out | 8.5742 | APE9-dist-out | 10.6684 | None | None | None | XRAY | 3.2 | 0.232 | 0.28 | A | 307.0 | 264.0 | 12 | 30 | 18 | 12 | [[457, 716]] | 1.0 | 3q4c | 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 | 3Q4CB | P15056 | 448 | 723 | 766.0 | No_ligand | No_ligand | Inactive | DFGin | 6.5451 | 14.5585 | BLAminus | -146.12, -159.83 | 35.91, 93.44 | -110.83, 27.67 | 289.71, 99.42 | -62.68, -9.95 | in-in | in | 8.1482 | Saltbr-in | 3.0511 | HRD-in | -70.95, -56.96 | 74.51, 13.37 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.8699 | ActLoopCT-out | nonTYR | APEdihe_aaioi | APEdist_nnoo | APE10-dihe-na | 999.0, 84.43 | APE9-dihe-na | -83.51, 57.43 | APE8-dihe-in | -129.0, 61.86 | APE8-rot-out | 58.54 | APE67-dihe-in | -58.42, -27.85 | -82.03, -13.47 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-out | 9.2078 | APE9-dist-out | 10.9727 | None | None | None | XRAY | 3.2 | 0.232 | 0.28 | B | 307.0 | 264.0 | 12 | 30 | 18 | 12 | [[457, 716]] | 1.0 | 3q4c | 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 | 3Q4CA | P15056 | 448 | 723 | 766.0 | RSW:60001 | Type1 | Inactive | DFGin | 6.4442 | 14.2346 | BLAminus | -146.59, -170.54 | 63.5, 77.08 | -100.12, 34.36 | 288.59, 75.88 | -64.75, -40.97 | in-in | in | 8.5519 | Saltbr-in | 3.4311 | HRD-in | -69.37, -57.8 | 78.74, 3.85 | in-in-out | SNCiio | in-out | ActLoopNT-in | 3.1391 | ActLoopCT-out | nonTYR | APEdihe_aaioi | APEdist_nnoo | APE10-dihe-na | 999.0, 83.59 | APE9-dihe-na | -85.67, 50.75 | APE8-dihe-in | -115.48, 63.75 | APE8-rot-out | 49.22 | APE67-dihe-in | -67.89, -18.46 | -76.77, -7.21 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-out | 8.5742 | APE9-dist-out | 10.6684 | None | None | None | XRAY | 3.2 | 0.232 | 0.28 | A | 307.0 | 264.0 | 12 | 30 | 18 | 12 | [[457, 716]] | 1.0 | 3q4c | 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 |
|---|