| 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 | 4RZVA | P15056 | 449 | 721 | 766.0 | 032:801 | Type1.5_Back | Inactive | DFGin | 6.6235 | 12.87 | BLAplus | -130.91, -172.9 | 60.6, 24.8 | -98.53, -10.69 | 57.76, 91.05 | -69.22, 172.66 | out-out | out | 12.6437 | Saltbr-out | 10.2579 | HRD-in | -67.58, -51.33 | 73.51, -5.96 | out-out-out | SNCooo | out-out | ActLoopNT-out | 7.1085 | ActLoopCT-out | nonTYR | APEdihe_aaiii | APEdist_nioo | APE10-dihe-na | -135.17, 121.31 | APE9-dihe-na | -132.69, 47.25 | APE8-dihe-in | -116.19, 105.13 | APE8-rot-in | 306.78 | APE67-dihe-in | -65.92, -31.75 | -100.96, -1.47 | APE12-dist-none | 999.0 | APE11-dist-in | 13.566 | APE10-dist-out | 15.1689 | APE9-dist-out | 10.3023 | R509H,I543A,I544S,I551K,Q562R,L588N,K630S,F667E,Y673S,A688R,L706S,Q709R,S713E,L716E,S720E,P722S,K723G | None | None | XRAY | 2.994 | 0.207 | 0.267 | A | 281.0 | 261.0 | 12 | 30 | 18 | 12 | [[457, 716]] | 1.0 | 4rzv | TKL_BRAF_HUMAN | TKL | 7.2e-84 | 287.4 | 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 | 4RZVB | P15056 | 449 | 722 | 766.0 | 032:801 | Type1.5_Back | Inactive | DFGin | 6.4703 | 12.8347 | BLAplus | -121.2, 178.65 | 56.71, 36.71 | -99.28, -19.01 | 59.27, 87.57 | -68.87, 172.54 | out-out | out | 12.328 | Saltbr-out | 11.6697 | HRD-in | -71.84, -50.61 | 63.03, 10.44 | out-out-out | SNCooo | out-out | ActLoopNT-out | 6.7429 | ActLoopCT-out | nonTYR | APEdihe_aaiii | APEdist_iioo | APE10-dihe-na | -82.65, 28.28 | APE9-dihe-na | -100.48, -28.28 | APE8-dihe-in | -136.49, 95.01 | APE8-rot-in | 296.61 | APE67-dihe-in | -55.46, -18.41 | -85.27, -21.3 | APE12-dist-in | 13.178 | APE11-dist-in | 13.8156 | APE10-dist-out | 18.8471 | APE9-dist-out | 11.1658 | R509H,I543A,I544S,I551K,Q562R,L588N,K630S,F667E,Y673S,A688R,L706S,Q709R,S713E,L716E,S720E,P722S,K723G | None | None | XRAY | 2.994 | 0.207 | 0.267 | B | 281.0 | 271.0 | 3 | 30 | 30 | 0 | [[457, 716]] | 1.0 | 4rzv | TKL_BRAF_HUMAN | TKL | 7.2e-84 | 287.4 | 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 | 4RZVA | P15056 | 449 | 721 | 766.0 | 032:801 | Type1.5_Back | Inactive | DFGin | 6.6235 | 12.87 | BLAplus | -130.91, -172.9 | 60.6, 24.8 | -98.53, -10.69 | 57.76, 91.05 | -69.22, 172.66 | out-out | out | 12.6437 | Saltbr-out | 10.2579 | HRD-in | -67.58, -51.33 | 73.51, -5.96 | out-out-out | SNCooo | out-out | ActLoopNT-out | 7.1085 | ActLoopCT-out | nonTYR | APEdihe_aaiii | APEdist_nioo | APE10-dihe-na | -135.17, 121.31 | APE9-dihe-na | -132.69, 47.25 | APE8-dihe-in | -116.19, 105.13 | APE8-rot-in | 306.78 | APE67-dihe-in | -65.92, -31.75 | -100.96, -1.47 | APE12-dist-none | 999.0 | APE11-dist-in | 13.566 | APE10-dist-out | 15.1689 | APE9-dist-out | 10.3023 | R509H,I543A,I544S,I551K,Q562R,L588N,K630S,F667E,Y673S,A688R,L706S,Q709R,S713E,L716E,S720E,P722S,K723G | None | None | XRAY | 2.994 | 0.207 | 0.267 | A | 281.0 | 261.0 | 12 | 30 | 18 | 12 | [[457, 716]] | 1.0 | 4rzv | Homo sapiens | TKL_BRAF_HUMAN | TKL | 7.2e-84 | 287.4 | 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 | 4RZVB | P15056 | 449 | 722 | 766.0 | 032:801 | Type1.5_Back | Inactive | DFGin | 6.4703 | 12.8347 | BLAplus | -121.2, 178.65 | 56.71, 36.71 | -99.28, -19.01 | 59.27, 87.57 | -68.87, 172.54 | out-out | out | 12.328 | Saltbr-out | 11.6697 | HRD-in | -71.84, -50.61 | 63.03, 10.44 | out-out-out | SNCooo | out-out | ActLoopNT-out | 6.7429 | ActLoopCT-out | nonTYR | APEdihe_aaiii | APEdist_iioo | APE10-dihe-na | -82.65, 28.28 | APE9-dihe-na | -100.48, -28.28 | APE8-dihe-in | -136.49, 95.01 | APE8-rot-in | 296.61 | APE67-dihe-in | -55.46, -18.41 | -85.27, -21.3 | APE12-dist-in | 13.178 | APE11-dist-in | 13.8156 | APE10-dist-out | 18.8471 | APE9-dist-out | 11.1658 | R509H,I543A,I544S,I551K,Q562R,L588N,K630S,F667E,Y673S,A688R,L706S,Q709R,S713E,L716E,S720E,P722S,K723G | None | None | XRAY | 2.994 | 0.207 | 0.267 | B | 281.0 | 271.0 | 3 | 30 | 30 | 0 | [[457, 716]] | 1.0 | 4rzv | Homo sapiens | TKL_BRAF_HUMAN | TKL | 7.2e-84 | 287.4 | 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 |
|---|