| 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 | 8C7XA | P15056 | 449 | 721 | 766.0 | TXV:60819 | Type2 | Inactive | DFGout | 12.4433 | 11.7323 | BBAminus | -135.27, -175.23 | -125.31, 91.5 | -84.77, 1.35 | 298.16, 96.35 | -135.3, 38.11 | in-in | in | 8.4984 | Saltbr-in | 2.8645 | HRD-in | -69.83, -48.66 | 82.13, -14.5 | in-out-out | SNCioo | out-out | ActLoopNT-out | 14.6842 | ActLoopCT-out | nonTYR | APEdihe_aaoii | APEdist_iioo | APE10-dihe-na | -57.54, -34.33 | APE9-dihe-na | -66.65, -4.24 | APE8-dihe-out | -124.33, -3.25 | APE8-rot-in | 302.06 | APE67-dihe-in | -65.06, -18.56 | -51.42, -40.3 | APE12-dist-in | 10.5167 | APE11-dist-in | 10.208 | APE10-dist-out | 14.0359 | APE9-dist-out | 10.8165 | None | None | None | XRAY | 1.65 | 0.154 | 0.171 | A | 284.0 | 273.0 | 0 | 30 | 30 | 0 | [[457, 716]] | 1.0 | 8c7x | TKL_BRAF_HUMAN | TKL | 4.8e-84 | 288.0 | 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 | 8C7XB | P15056 | 448 | 721 | 766.0 | TXV:60803 | Type2 | Inactive | DFGout | 12.3193 | 11.7433 | BBAminus | -141.6, -169.03 | -129.23, 87.73 | -87.17, -9.74 | 297.6, 98.29 | 46.23, -133.22 | in-in | in | 8.4671 | Saltbr-in | 2.726 | HRD-in | -71.23, -49.45 | 77.51, -13.46 | in-out-out | SNCioo | out-out | ActLoopNT-out | 18.1173 | ActLoopCT-out | nonTYR | APEdihe_aaoii | APEdist_nnoo | APE10-dihe-na | 999.0, -73.7 | APE9-dihe-na | -64.9, -3.59 | APE8-dihe-out | -123.65, 0.9 | APE8-rot-in | 304.25 | APE67-dihe-in | -68.19, -19.78 | -53.41, -37.43 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-out | 11.2505 | APE9-dist-out | 10.7314 | None | None | None | XRAY | 1.65 | 0.154 | 0.171 | B | 284.0 | 261.0 | 13 | 30 | 17 | 13 | [[457, 716]] | 1.0 | 8c7x | TKL_BRAF_HUMAN | TKL | 4.8e-84 | 288.0 | 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 | 8C7XA | P15056 | 449 | 721 | 766.0 | TXV:60819 | Type2 | Inactive | DFGout | 12.4433 | 11.7323 | BBAminus | -135.27, -175.23 | -125.31, 91.5 | -84.77, 1.35 | 298.16, 96.35 | -135.3, 38.11 | in-in | in | 8.4984 | Saltbr-in | 2.8645 | HRD-in | -69.83, -48.66 | 82.13, -14.5 | in-out-out | SNCioo | out-out | ActLoopNT-out | 14.6842 | ActLoopCT-out | nonTYR | APEdihe_aaoii | APEdist_iioo | APE10-dihe-na | -57.54, -34.33 | APE9-dihe-na | -66.65, -4.24 | APE8-dihe-out | -124.33, -3.25 | APE8-rot-in | 302.06 | APE67-dihe-in | -65.06, -18.56 | -51.42, -40.3 | APE12-dist-in | 10.5167 | APE11-dist-in | 10.208 | APE10-dist-out | 14.0359 | APE9-dist-out | 10.8165 | None | None | None | XRAY | 1.65 | 0.154 | 0.171 | A | 284.0 | 273.0 | 0 | 30 | 30 | 0 | [[457, 716]] | 1.0 | 8c7x | Homo sapiens | TKL_BRAF_HUMAN | TKL | 4.8e-84 | 288.0 | 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 | 8C7XB | P15056 | 448 | 721 | 766.0 | TXV:60803 | Type2 | Inactive | DFGout | 12.3193 | 11.7433 | BBAminus | -141.6, -169.03 | -129.23, 87.73 | -87.17, -9.74 | 297.6, 98.29 | 46.23, -133.22 | in-in | in | 8.4671 | Saltbr-in | 2.726 | HRD-in | -71.23, -49.45 | 77.51, -13.46 | in-out-out | SNCioo | out-out | ActLoopNT-out | 18.1173 | ActLoopCT-out | nonTYR | APEdihe_aaoii | APEdist_nnoo | APE10-dihe-na | 999.0, -73.7 | APE9-dihe-na | -64.9, -3.59 | APE8-dihe-out | -123.65, 0.9 | APE8-rot-in | 304.25 | APE67-dihe-in | -68.19, -19.78 | -53.41, -37.43 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-out | 11.2505 | APE9-dist-out | 10.7314 | None | None | None | XRAY | 1.65 | 0.154 | 0.171 | B | 284.0 | 261.0 | 13 | 30 | 17 | 13 | [[457, 716]] | 1.0 | 8c7x | Homo sapiens | TKL_BRAF_HUMAN | TKL | 4.8e-84 | 288.0 | 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 |
|---|