| 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 | 6U2HC | P15056 | 448 | 733 | 766.0 | 29L:60801 | Type1 | Inactive | DFGin | 6.7505 | 14.2365 | BLAminus | -140.81, -173.87 | 57.62, 73.3 | -90.9, 27.8 | 291.38, 51.17 | -64.94, -25.09 | in-in | in | 8.6241 | Saltbr-in | 2.732 | HRD-in | -81.66, -40.52 | 63.75, 1.44 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.8312 | ActLoopCT-out | nonTYR | APEdihe_aaiii | APEdist_nnno | APE10-dihe-na | 999.0, 999.0 | APE9-dihe-na | 999.0, -6.73 | APE8-dihe-in | -77.44, 81.11 | APE8-rot-in | 298.33 | APE67-dihe-in | -77.58, -10.43 | -81.03, -23.85 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-none | 999.0 | APE9-dist-out | 9.3688 | None | SEP729 | SEP729 | XRAY | 2.5 | 0.222 | 0.263 | C | 290.0 | 275.0 | 11 | 30 | 19 | 11 | [[457, 716]] | 1.0 | 6u2h | TKL_BRAF_HUMAN | TKL | 5.2e-84 | 287.9 | 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 | 6U2HD | P15056 | 448 | 733 | 766.0 | 29L:60801 | Type1 | Inactive | DFGin | 6.3619 | 13.8526 | BLAminus | -135.68, 175.39 | 64.72, 81.19 | -94.93, 22.46 | 283.79, 66.21 | -67.34, -30.28 | in-in | in | 8.5988 | Saltbr-in | 2.7798 | HRD-in | -78.94, -38.38 | 63.06, 1.76 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.9596 | ActLoopCT-out | nonTYR | APEdihe_aaioi | APEdist_iioo | APE10-dihe-na | 55.45, -147.38 | APE9-dihe-na | -70.68, -35.18 | APE8-dihe-in | -76.57, 92.11 | APE8-rot-out | 85.56 | APE67-dihe-in | -62.26, -37.46 | -120.91, -2.65 | APE12-dist-in | 8.8315 | APE11-dist-in | 9.5034 | APE10-dist-out | 11.3875 | APE9-dist-out | 11.5826 | None | SEP729 | SEP729 | XRAY | 2.5 | 0.222 | 0.263 | D | 290.0 | 283.0 | 3 | 30 | 27 | 3 | [[457, 716]] | 1.0 | 6u2h | TKL_BRAF_HUMAN | TKL | 5.2e-84 | 287.9 | 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 | 6U2HC | P15056 | 448 | 733 | 766.0 | 29L:60801 | Type1 | Inactive | DFGin | 6.7505 | 14.2365 | BLAminus | -140.81, -173.87 | 57.62, 73.3 | -90.9, 27.8 | 291.38, 51.17 | -64.94, -25.09 | in-in | in | 8.6241 | Saltbr-in | 2.732 | HRD-in | -81.66, -40.52 | 63.75, 1.44 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.8312 | ActLoopCT-out | nonTYR | APEdihe_aaiii | APEdist_nnno | APE10-dihe-na | 999.0, 999.0 | APE9-dihe-na | 999.0, -6.73 | APE8-dihe-in | -77.44, 81.11 | APE8-rot-in | 298.33 | APE67-dihe-in | -77.58, -10.43 | -81.03, -23.85 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-none | 999.0 | APE9-dist-out | 9.3688 | None | SEP729 | SEP729 | XRAY | 2.5 | 0.222 | 0.263 | C | 290.0 | 275.0 | 11 | 30 | 19 | 11 | [[457, 716]] | 1.0 | 6u2h | Homo sapiens | TKL_BRAF_HUMAN | TKL | 5.2e-84 | 287.9 | 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 | 6U2HD | P15056 | 448 | 733 | 766.0 | 29L:60801 | Type1 | Inactive | DFGin | 6.3619 | 13.8526 | BLAminus | -135.68, 175.39 | 64.72, 81.19 | -94.93, 22.46 | 283.79, 66.21 | -67.34, -30.28 | in-in | in | 8.5988 | Saltbr-in | 2.7798 | HRD-in | -78.94, -38.38 | 63.06, 1.76 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.9596 | ActLoopCT-out | nonTYR | APEdihe_aaioi | APEdist_iioo | APE10-dihe-na | 55.45, -147.38 | APE9-dihe-na | -70.68, -35.18 | APE8-dihe-in | -76.57, 92.11 | APE8-rot-out | 85.56 | APE67-dihe-in | -62.26, -37.46 | -120.91, -2.65 | APE12-dist-in | 8.8315 | APE11-dist-in | 9.5034 | APE10-dist-out | 11.3875 | APE9-dist-out | 11.5826 | None | SEP729 | SEP729 | XRAY | 2.5 | 0.222 | 0.263 | D | 290.0 | 283.0 | 3 | 30 | 27 | 3 | [[457, 716]] | 1.0 | 6u2h | Homo sapiens | TKL_BRAF_HUMAN | TKL | 5.2e-84 | 287.9 | 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 |
|---|