| 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 | 4WO5A | P15056 | 448 | 721 | 766.0 | 324:801 | Type1.5_Back | Inactive | DFGin | 6.1967 | 12.4707 | BLAplus | -113.39, 171.89 | 60.4, 25.87 | -88.62, -20.81 | 62.14, 83.22 | -76.85, 162.27 | out-out | out | 11.8547 | Saltbr-out | 10.9471 | HRD-in | -61.99, -45.91 | 75.82, -24.69 | out-out-out | SNCooo | out-out | ActLoopNT-out | 6.8017 | ActLoopCT-out | nonTYR | APEdihe_aaooo | APEdist_iooo | APE10-dihe-na | -106.86, 132.67 | APE9-dihe-na | -94.97, 98.91 | APE8-dihe-out | -154.69, -103.68 | APE8-rot-out | 172.98 | APE67-dihe-out | -59.88, -33.44 | 59.76, -29.06 | APE12-dist-in | 13.6607 | APE11-dist-out | 17.6142 | APE10-dist-out | 20.6455 | APE9-dist-out | 12.3385 | I543A,I544S,I551K,Q562R,L588N,K630S,F667E,Y673S,A688R,L706S,Q709R,S713E,L716E,S720E,P722S,K723G | None | None | XRAY | 2.83 | 0.196 | 0.26 | A | 300.0 | 266.0 | 8 | 30 | 26 | 4 | [[457, 716]] | 1.0 | 4wo5 | TKL_BRAF_HUMAN | TKL | 5.9e-84 | 287.7 | 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 | 4WO5B | P15056 | 450 | 721 | 766.0 | 324:801 | Type1.5_Back | Inactive | DFGin | 6.8875 | 12.8666 | BLAplus | -140.91, 168.85 | 84.0, 47.56 | -114.71, 82.32 | 38.72, 99.17 | -44.17, -77.3 | out-none | out | 11.966 | Saltbr-none | 999.0 | HRD-in | -57.15, -60.67 | 87.46, -19.9 | none-out-out | SNCnoo | out-out | ActLoopNT-out | 9.2447 | ActLoopCT-out | nonTYR | APEdihe_aaiii | APEdist_nnno | APE10-dihe-na | 999.0, 999.0 | APE9-dihe-na | 999.0, -63.37 | APE8-dihe-in | -130.43, 79.93 | APE8-rot-in | 273.2 | APE67-dihe-in | -55.15, -30.0 | -52.46, -34.18 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-none | 999.0 | APE9-dist-out | 9.1889 | I543A,I544S,I551K,Q562R,L588N,K630S,F667E,Y673S,A688R,L706S,Q709R,S713E,L716E,S720E,P722S,K723G | None | None | XRAY | 2.83 | 0.196 | 0.26 | B | 300.0 | 257.0 | 15 | 30 | 15 | 15 | [[457, 716]] | 1.0 | 4wo5 | TKL_BRAF_HUMAN | TKL | 5.9e-84 | 287.7 | 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 | 4WO5A | P15056 | 448 | 721 | 766.0 | 324:801 | Type1.5_Back | Inactive | DFGin | 6.1967 | 12.4707 | BLAplus | -113.39, 171.89 | 60.4, 25.87 | -88.62, -20.81 | 62.14, 83.22 | -76.85, 162.27 | out-out | out | 11.8547 | Saltbr-out | 10.9471 | HRD-in | -61.99, -45.91 | 75.82, -24.69 | out-out-out | SNCooo | out-out | ActLoopNT-out | 6.8017 | ActLoopCT-out | nonTYR | APEdihe_aaooo | APEdist_iooo | APE10-dihe-na | -106.86, 132.67 | APE9-dihe-na | -94.97, 98.91 | APE8-dihe-out | -154.69, -103.68 | APE8-rot-out | 172.98 | APE67-dihe-out | -59.88, -33.44 | 59.76, -29.06 | APE12-dist-in | 13.6607 | APE11-dist-out | 17.6142 | APE10-dist-out | 20.6455 | APE9-dist-out | 12.3385 | I543A,I544S,I551K,Q562R,L588N,K630S,F667E,Y673S,A688R,L706S,Q709R,S713E,L716E,S720E,P722S,K723G | None | None | XRAY | 2.83 | 0.196 | 0.26 | A | 300.0 | 266.0 | 8 | 30 | 26 | 4 | [[457, 716]] | 1.0 | 4wo5 | Homo sapiens | TKL_BRAF_HUMAN | TKL | 5.9e-84 | 287.7 | 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 | 4WO5B | P15056 | 450 | 721 | 766.0 | 324:801 | Type1.5_Back | Inactive | DFGin | 6.8875 | 12.8666 | BLAplus | -140.91, 168.85 | 84.0, 47.56 | -114.71, 82.32 | 38.72, 99.17 | -44.17, -77.3 | out-none | out | 11.966 | Saltbr-none | 999.0 | HRD-in | -57.15, -60.67 | 87.46, -19.9 | none-out-out | SNCnoo | out-out | ActLoopNT-out | 9.2447 | ActLoopCT-out | nonTYR | APEdihe_aaiii | APEdist_nnno | APE10-dihe-na | 999.0, 999.0 | APE9-dihe-na | 999.0, -63.37 | APE8-dihe-in | -130.43, 79.93 | APE8-rot-in | 273.2 | APE67-dihe-in | -55.15, -30.0 | -52.46, -34.18 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-none | 999.0 | APE9-dist-out | 9.1889 | I543A,I544S,I551K,Q562R,L588N,K630S,F667E,Y673S,A688R,L706S,Q709R,S713E,L716E,S720E,P722S,K723G | None | None | XRAY | 2.83 | 0.196 | 0.26 | B | 300.0 | 257.0 | 15 | 30 | 15 | 15 | [[457, 716]] | 1.0 | 4wo5 | Homo sapiens | TKL_BRAF_HUMAN | TKL | 5.9e-84 | 287.7 | 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 |
|---|