| 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 | 6UANC | P15056 | 449 | 733 | 766.0 | No_ligand | No_ligand | Inactive | DFGin | 6.7222 | 15.086 | BLAminus | -133.66, -145.42 | 58.01, 67.46 | -89.23, 29.8 | 285.54, 141.38 | -68.94, -15.87 | in-out | in | 9.4531 | Saltbr-out | 5.3507 | HRD-out | -71.43, 94.34 | -71.05, -36.25 | out-in-out | SNCoio | in-out | ActLoopNT-in | 2.9419 | ActLoopCT-out | nonTYR | APEdihe_aaini | APEdist_iioo | APE10-dihe-na | -159.48, 168.73 | APE9-dihe-na | -90.57, 11.03 | APE8-dihe-in | -91.34, 50.74 | APE8-rot-none | 999.0 | APE67-dihe-in | -76.53, -9.36 | -80.03, -36.5 | APE12-dist-in | 13.3742 | APE11-dist-in | 12.6371 | APE10-dist-out | 10.0056 | APE9-dist-out | 11.6186 | T373C,I374M | SEP729 | SEP729 | EM | 3.9 | 999.0 | 999.0 | C | 768.0 | 285.0 | 0 | 30 | 30 | 0 | [[457, 716]] | 1.0 | 6uan | TKL_BRAF_HUMAN | TKL | 1.3e-80 | 277.1 | 4.0 | 266.0 | 263.0 | 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 | 6UANB | P15056 | 449 | 750 | 766.0 | No_ligand | No_ligand | Inactive | DFGin | 6.0865 | 12.6357 | BLAplus | -154.71, 179.74 | 58.46, 43.55 | -98.79, 69.87 | 37.99, 91.03 | -71.09, -56.22 | in-out | in | 9.5942 | Saltbr-out | 7.4833 | HRD-in | -73.07, -51.77 | 71.88, -8.56 | out-in-none | SNCoin | in-none | ActLoopNT-in | 3.2329 | ActLoopCT-none | nonTYR | APEdihe_aannn | APEdist_nnnn | APE10-dihe-na | 999.0, 999.0 | APE9-dihe-na | 999.0, 999.0 | APE8-dihe-none | 999.0, 999.0 | APE8-rot-none | 999.0 | APE67-dihe-none | 999.0, 999.0 | 999.0, 999.0 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-none | 999.0 | APE9-dist-none | 999.0 | T373C,I374M | SEP729 | SEP729 | EM | 3.9 | 999.0 | 999.0 | B | 768.0 | 261.0 | 41 | 30 | 9 | 21 | [[457, 716]] | 1.0 | 6uan | TKL_BRAF_HUMAN | TKL | 1.3e-80 | 277.1 | 4.0 | 266.0 | 263.0 | 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 | 6UANC | P15056 | 449 | 733 | 766.0 | No_ligand | No_ligand | Inactive | DFGin | 6.7222 | 15.086 | BLAminus | -133.66, -145.42 | 58.01, 67.46 | -89.23, 29.8 | 285.54, 141.38 | -68.94, -15.87 | in-out | in | 9.4531 | Saltbr-out | 5.3507 | HRD-out | -71.43, 94.34 | -71.05, -36.25 | out-in-out | SNCoio | in-out | ActLoopNT-in | 2.9419 | ActLoopCT-out | nonTYR | APEdihe_aaini | APEdist_iioo | APE10-dihe-na | -159.48, 168.73 | APE9-dihe-na | -90.57, 11.03 | APE8-dihe-in | -91.34, 50.74 | APE8-rot-none | 999.0 | APE67-dihe-in | -76.53, -9.36 | -80.03, -36.5 | APE12-dist-in | 13.3742 | APE11-dist-in | 12.6371 | APE10-dist-out | 10.0056 | APE9-dist-out | 11.6186 | T373C,I374M | SEP729 | SEP729 | EM | 3.9 | 999.0 | 999.0 | C | 768.0 | 285.0 | 0 | 30 | 30 | 0 | [[457, 716]] | 1.0 | 6uan | Homo sapiens | TKL_BRAF_HUMAN | TKL | 1.3e-80 | 277.1 | 4.0 | 266.0 | 263.0 | 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 | 6UANB | P15056 | 449 | 750 | 766.0 | No_ligand | No_ligand | Inactive | DFGin | 6.0865 | 12.6357 | BLAplus | -154.71, 179.74 | 58.46, 43.55 | -98.79, 69.87 | 37.99, 91.03 | -71.09, -56.22 | in-out | in | 9.5942 | Saltbr-out | 7.4833 | HRD-in | -73.07, -51.77 | 71.88, -8.56 | out-in-none | SNCoin | in-none | ActLoopNT-in | 3.2329 | ActLoopCT-none | nonTYR | APEdihe_aannn | APEdist_nnnn | APE10-dihe-na | 999.0, 999.0 | APE9-dihe-na | 999.0, 999.0 | APE8-dihe-none | 999.0, 999.0 | APE8-rot-none | 999.0 | APE67-dihe-none | 999.0, 999.0 | 999.0, 999.0 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-none | 999.0 | APE9-dist-none | 999.0 | T373C,I374M | SEP729 | SEP729 | EM | 3.9 | 999.0 | 999.0 | B | 768.0 | 261.0 | 41 | 30 | 9 | 21 | [[457, 716]] | 1.0 | 6uan | Homo sapiens | TKL_BRAF_HUMAN | TKL | 1.3e-80 | 277.1 | 4.0 | 266.0 | 263.0 | 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 |
|---|