| 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 | 4FK3A | P15056 | 448 | 718 | 766.0 | 325:801 | Type1.5_Back | Inactive | DFGin | 5.3657 | 13.6946 | BLAplus | -133.88, -167.56 | 58.89, 45.8 | -124.05, 12.28 | 65.31, 91.87 | -122.04, 999.0 | out-out | out | 11.0042 | Saltbr-out | 9.7296 | HRD-in | -61.94, -44.69 | 76.48, -14.73 | out-none-out | SNCono | none-out | ActLoopNT-none | 999.0 | ActLoopCT-out | nonTYR | APEdihe_aaiii | APEdist_nnno | APE10-dihe-na | 999.0, 26.64 | APE9-dihe-na | -141.77, -157.8 | APE8-dihe-in | -80.67, 92.47 | APE8-rot-in | 332.2 | APE67-dihe-in | -66.02, -29.09 | -81.79, -14.47 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-none | 999.0 | APE9-dist-out | 9.3403 | I543A,I544S,I551K,Q562R,L588N,V600E,K630S,F667E,Y673S,A688R,L706S,Q709R,S713E,L716E,S720E,P722S,K723G | None | None | XRAY | 2.65 | 0.262 | 0.315 | A | 292.0 | 251.0 | 20 | 30 | 13 | 17 | [[457, 716]] | 1.0 | 4fk3 | TKL_BRAF_HUMAN | TKL | 5.5e-84 | 287.8 | 4.0 | 267.0 | 264.0 | 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 | 4FK3B | P15056 | 448 | 721 | 766.0 | No_ligand | No_ligand | Inactive | DFGin | 5.7722 | 14.711 | None | -140.8, -152.47 | 49.25, 52.94 | -56.33, -72.64 | 272.7, 56.86 | 47.33, -79.68 | in-out | in | 9.0449 | Saltbr-out | 5.3726 | HRD-in | -75.07, -44.36 | 65.22, -1.5 | out-in-out | SNCoio | in-out | ActLoopNT-in | 3.1937 | ActLoopCT-out | nonTYR | APEdihe_aaooi | APEdist_nnoo | APE10-dihe-na | 999.0, 141.11 | APE9-dihe-na | 86.3, -24.42 | APE8-dihe-out | -101.18, 22.22 | APE8-rot-out | 89.79 | APE67-dihe-in | -68.94, -26.21 | -73.51, -33.16 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-out | 14.1316 | APE9-dist-out | 11.411 | I543A,I544S,I551K,Q562R,L588N,V600E,K630S,F667E,Y673S,A688R,L706S,Q709R,S713E,L716E,S720E,P722S,K723G | None | None | XRAY | 2.65 | 0.262 | 0.315 | B | 292.0 | 257.0 | 17 | 30 | 17 | 13 | [[457, 716]] | 1.0 | 4fk3 | TKL_BRAF_HUMAN | TKL | 5.5e-84 | 287.8 | 4.0 | 267.0 | 264.0 | 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 | 4FK3A | P15056 | 448 | 718 | 766.0 | 325:801 | Type1.5_Back | Inactive | DFGin | 5.3657 | 13.6946 | BLAplus | -133.88, -167.56 | 58.89, 45.8 | -124.05, 12.28 | 65.31, 91.87 | -122.04, 999.0 | out-out | out | 11.0042 | Saltbr-out | 9.7296 | HRD-in | -61.94, -44.69 | 76.48, -14.73 | out-none-out | SNCono | none-out | ActLoopNT-none | 999.0 | ActLoopCT-out | nonTYR | APEdihe_aaiii | APEdist_nnno | APE10-dihe-na | 999.0, 26.64 | APE9-dihe-na | -141.77, -157.8 | APE8-dihe-in | -80.67, 92.47 | APE8-rot-in | 332.2 | APE67-dihe-in | -66.02, -29.09 | -81.79, -14.47 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-none | 999.0 | APE9-dist-out | 9.3403 | I543A,I544S,I551K,Q562R,L588N,V600E,K630S,F667E,Y673S,A688R,L706S,Q709R,S713E,L716E,S720E,P722S,K723G | None | None | XRAY | 2.65 | 0.262 | 0.315 | A | 292.0 | 251.0 | 20 | 30 | 13 | 17 | [[457, 716]] | 1.0 | 4fk3 | Homo sapiens | TKL_BRAF_HUMAN | TKL | 5.5e-84 | 287.8 | 4.0 | 267.0 | 264.0 | 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 | 4FK3B | P15056 | 448 | 721 | 766.0 | No_ligand | No_ligand | Inactive | DFGin | 5.7722 | 14.711 | None | -140.8, -152.47 | 49.25, 52.94 | -56.33, -72.64 | 272.7, 56.86 | 47.33, -79.68 | in-out | in | 9.0449 | Saltbr-out | 5.3726 | HRD-in | -75.07, -44.36 | 65.22, -1.5 | out-in-out | SNCoio | in-out | ActLoopNT-in | 3.1937 | ActLoopCT-out | nonTYR | APEdihe_aaooi | APEdist_nnoo | APE10-dihe-na | 999.0, 141.11 | APE9-dihe-na | 86.3, -24.42 | APE8-dihe-out | -101.18, 22.22 | APE8-rot-out | 89.79 | APE67-dihe-in | -68.94, -26.21 | -73.51, -33.16 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-out | 14.1316 | APE9-dist-out | 11.411 | I543A,I544S,I551K,Q562R,L588N,V600E,K630S,F667E,Y673S,A688R,L706S,Q709R,S713E,L716E,S720E,P722S,K723G | None | None | XRAY | 2.65 | 0.262 | 0.315 | B | 292.0 | 257.0 | 17 | 30 | 17 | 13 | [[457, 716]] | 1.0 | 4fk3 | Homo sapiens | TKL_BRAF_HUMAN | TKL | 5.5e-84 | 287.8 | 4.0 | 267.0 | 264.0 | 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 |
|---|