| 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 | 4R5YA | P15056 | 449 | 720 | 766.0 | 3K3:801 | Type2 | Inactive | DFGout | 12.424 | 11.4029 | BBAminus | -178.69, -170.96 | -106.97, 94.73 | -95.79, 9.88 | 289.99, 76.28 | -115.28, 999.0 | in-out | in | 8.8661 | Saltbr-out | 5.5287 | HRD-in | -60.99, -46.63 | 78.01, -10.54 | out-none-out | SNCono | none-out | ActLoopNT-none | 999.0 | ActLoopCT-out | nonTYR | APEdihe_aanoi | APEdist_nnnn | APE10-dihe-na | 999.0, 999.0 | APE9-dihe-na | 999.0, 999.0 | APE8-dihe-none | 999.0, -4.67 | APE8-rot-out | 203.05 | APE67-dihe-in | -69.84, -20.28 | -83.09, -13.7 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-none | 999.0 | APE9-dist-none | 999.0 | I543A,I544S,I551K,Q562R,L588N,V600E,K630S,F667E,Y673S,A688R,L706S,Q709R,S713E,L716E,S720E,P722S,K723G | None | None | XRAY | 3.5 | 0.229 | 0.306 | A | 292.0 | 253.0 | 19 | 30 | 11 | 19 | [[457, 716]] | 1.0 | 4r5y | 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 | 4R5YB | P15056 | 449 | 720 | 766.0 | 3K3:801 | Type2 | Inactive | DFGout | 12.727 | 11.3708 | BBAminus | -171.56, -169.77 | -112.44, 105.89 | -99.56, 4.22 | 290.31, 63.5 | -85.76, 129.56 | in-out | in | 8.573 | Saltbr-out | 5.1393 | HRD-out | -74.44, 104.88 | -75.35, 1.11 | out-out-out | SNCooo | out-out | ActLoopNT-out | 16.5064 | ActLoopCT-out | nonTYR | APEdihe_aaoii | APEdist_nnoo | APE10-dihe-na | 999.0, -62.43 | APE9-dihe-na | -110.62, 18.0 | APE8-dihe-out | -132.72, 21.46 | APE8-rot-in | 308.12 | APE67-dihe-in | -68.31, -34.38 | -66.71, -16.33 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-out | 11.501 | APE9-dist-out | 10.8347 | I543A,I544S,I551K,Q562R,L588N,V600E,K630S,F667E,Y673S,A688R,L706S,Q709R,S713E,L716E,S720E,P722S,K723G | None | None | XRAY | 3.5 | 0.229 | 0.306 | B | 292.0 | 254.0 | 18 | 30 | 16 | 14 | [[457, 716]] | 1.0 | 4r5y | 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 | 4R5YA | P15056 | 449 | 720 | 766.0 | 3K3:801 | Type2 | Inactive | DFGout | 12.424 | 11.4029 | BBAminus | -178.69, -170.96 | -106.97, 94.73 | -95.79, 9.88 | 289.99, 76.28 | -115.28, 999.0 | in-out | in | 8.8661 | Saltbr-out | 5.5287 | HRD-in | -60.99, -46.63 | 78.01, -10.54 | out-none-out | SNCono | none-out | ActLoopNT-none | 999.0 | ActLoopCT-out | nonTYR | APEdihe_aanoi | APEdist_nnnn | APE10-dihe-na | 999.0, 999.0 | APE9-dihe-na | 999.0, 999.0 | APE8-dihe-none | 999.0, -4.67 | APE8-rot-out | 203.05 | APE67-dihe-in | -69.84, -20.28 | -83.09, -13.7 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-none | 999.0 | APE9-dist-none | 999.0 | I543A,I544S,I551K,Q562R,L588N,V600E,K630S,F667E,Y673S,A688R,L706S,Q709R,S713E,L716E,S720E,P722S,K723G | None | None | XRAY | 3.5 | 0.229 | 0.306 | A | 292.0 | 253.0 | 19 | 30 | 11 | 19 | [[457, 716]] | 1.0 | 4r5y | 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 | 4R5YB | P15056 | 449 | 720 | 766.0 | 3K3:801 | Type2 | Inactive | DFGout | 12.727 | 11.3708 | BBAminus | -171.56, -169.77 | -112.44, 105.89 | -99.56, 4.22 | 290.31, 63.5 | -85.76, 129.56 | in-out | in | 8.573 | Saltbr-out | 5.1393 | HRD-out | -74.44, 104.88 | -75.35, 1.11 | out-out-out | SNCooo | out-out | ActLoopNT-out | 16.5064 | ActLoopCT-out | nonTYR | APEdihe_aaoii | APEdist_nnoo | APE10-dihe-na | 999.0, -62.43 | APE9-dihe-na | -110.62, 18.0 | APE8-dihe-out | -132.72, 21.46 | APE8-rot-in | 308.12 | APE67-dihe-in | -68.31, -34.38 | -66.71, -16.33 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-out | 11.501 | APE9-dist-out | 10.8347 | I543A,I544S,I551K,Q562R,L588N,V600E,K630S,F667E,Y673S,A688R,L706S,Q709R,S713E,L716E,S720E,P722S,K723G | None | None | XRAY | 3.5 | 0.229 | 0.306 | B | 292.0 | 254.0 | 18 | 30 | 16 | 14 | [[457, 716]] | 1.0 | 4r5y | 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 |
|---|