| 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 | 6XAGC | P15056 | 449 | 732 | 766.0 | No_ligand | No_ligand | Inactive | DFGin | 6.5141 | 14.1186 | BLAminus | -135.38, 176.92 | 64.87, 80.23 | -95.35, 23.32 | 284.06, 65.51 | -66.44, -29.75 | in-in | in | 8.966 | Saltbr-in | 2.4067 | HRD-in | -79.02, -38.34 | 63.13, 1.72 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.9119 | ActLoopCT-out | nonTYR | APEdihe_aaioi | APEdist_nnno | APE10-dihe-na | 999.0, 999.0 | APE9-dihe-na | 999.0, -34.9 | APE8-dihe-in | -75.72, 91.46 | APE8-rot-out | 85.17 | APE67-dihe-in | -63.91, -36.72 | -120.11, -4.4 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-none | 999.0 | APE9-dist-out | 11.233 | None | SEP729 | SEP729 | XRAY | 3.3 | 0.252 | 0.3 | C | 290.0 | 276.0 | 8 | 30 | 23 | 7 | [[457, 716]] | 1.0 | 6xag | 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 | 6XAGD | P15056 | 448 | 733 | 766.0 | No_ligand | No_ligand | Inactive | DFGin | 6.5035 | 13.6327 | BLAminus | -140.73, -174.41 | 58.18, 74.07 | -91.48, 27.0 | 290.75, 52.26 | -65.73, -26.35 | in-in | in | 8.956 | Saltbr-in | 2.5981 | HRD-in | -81.24, -40.38 | 63.54, 1.85 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.8032 | ActLoopCT-out | nonTYR | APEdihe_aaioi | APEdist_nioo | APE10-dihe-na | 58.02, -132.89 | APE9-dihe-na | -103.64, -7.92 | APE8-dihe-in | -77.52, 80.03 | APE8-rot-out | 82.48 | APE67-dihe-in | -75.94, -11.64 | -83.69, -22.48 | APE12-dist-none | 999.0 | APE11-dist-in | 9.3131 | APE10-dist-out | 10.9545 | APE9-dist-out | 10.9233 | None | SEP729 | SEP729 | XRAY | 3.3 | 0.252 | 0.3 | D | 290.0 | 278.0 | 8 | 30 | 25 | 5 | [[457, 716]] | 1.0 | 6xag | 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 | 6XAGC | P15056 | 449 | 732 | 766.0 | No_ligand | No_ligand | Inactive | DFGin | 6.5141 | 14.1186 | BLAminus | -135.38, 176.92 | 64.87, 80.23 | -95.35, 23.32 | 284.06, 65.51 | -66.44, -29.75 | in-in | in | 8.966 | Saltbr-in | 2.4067 | HRD-in | -79.02, -38.34 | 63.13, 1.72 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.9119 | ActLoopCT-out | nonTYR | APEdihe_aaioi | APEdist_nnno | APE10-dihe-na | 999.0, 999.0 | APE9-dihe-na | 999.0, -34.9 | APE8-dihe-in | -75.72, 91.46 | APE8-rot-out | 85.17 | APE67-dihe-in | -63.91, -36.72 | -120.11, -4.4 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-none | 999.0 | APE9-dist-out | 11.233 | None | SEP729 | SEP729 | XRAY | 3.3 | 0.252 | 0.3 | C | 290.0 | 276.0 | 8 | 30 | 23 | 7 | [[457, 716]] | 1.0 | 6xag | 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 | 6XAGD | P15056 | 448 | 733 | 766.0 | No_ligand | No_ligand | Inactive | DFGin | 6.5035 | 13.6327 | BLAminus | -140.73, -174.41 | 58.18, 74.07 | -91.48, 27.0 | 290.75, 52.26 | -65.73, -26.35 | in-in | in | 8.956 | Saltbr-in | 2.5981 | HRD-in | -81.24, -40.38 | 63.54, 1.85 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.8032 | ActLoopCT-out | nonTYR | APEdihe_aaioi | APEdist_nioo | APE10-dihe-na | 58.02, -132.89 | APE9-dihe-na | -103.64, -7.92 | APE8-dihe-in | -77.52, 80.03 | APE8-rot-out | 82.48 | APE67-dihe-in | -75.94, -11.64 | -83.69, -22.48 | APE12-dist-none | 999.0 | APE11-dist-in | 9.3131 | APE10-dist-out | 10.9545 | APE9-dist-out | 10.9233 | None | SEP729 | SEP729 | XRAY | 3.3 | 0.252 | 0.3 | D | 290.0 | 278.0 | 8 | 30 | 25 | 5 | [[457, 716]] | 1.0 | 6xag | 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 |
|---|