| 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 | 7MFFA | P15056 | 449 | 732 | 766.0 | 215:801 | Type1 | Inactive | DFGin | 6.3603 | 14.7421 | BLAminus | -112.03, -166.91 | 58.58, 66.73 | -90.64, 30.13 | 276.88, 45.65 | -62.65, -42.41 | in-out | in | 9.0302 | Saltbr-out | 4.5215 | HRD-in | -80.55, -46.77 | 72.64, -3.52 | out-in-out | SNCoio | in-out | ActLoopNT-in | 3.1175 | ActLoopCT-out | nonTYR | APEdihe_aaioi | APEdist_nnoo | APE10-dihe-na | 999.0, -12.78 | APE9-dihe-na | 72.05, -150.48 | APE8-dihe-in | -69.83, 149.19 | APE8-rot-out | 174.32 | APE67-dihe-in | -65.5, -22.12 | -103.63, -2.16 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-out | 10.0055 | APE9-dist-out | 9.0132 | None | SEP365,SEP729 | SEP365,SEP729 | EM | 3.89 | 999.0 | 999.0 | A | 766.0 | 271.0 | 13 | 30 | 17 | 13 | [[457, 716]] | 1.0 | 7mff | 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 | 7MFFB | P15056 | 449 | 733 | 766.0 | 215:801 | Type1 | Inactive | DFGin | 6.5973 | 15.0098 | BLAminus | -114.09, -161.38 | 57.73, 64.61 | -99.79, 23.65 | 275.25, 74.28 | -77.75, -48.0 | in-in | in | 9.8956 | Saltbr-in | 3.3314 | HRD-in | -85.83, -46.32 | 64.25, 3.39 | in-in-out | SNCiio | in-out | ActLoopNT-in | 3.0411 | ActLoopCT-out | nonTYR | APEdihe_aaioi | APEdist_nnoi | APE10-dihe-na | 999.0, -42.1 | APE9-dihe-na | 151.05, -167.76 | APE8-dihe-in | -113.77, 134.96 | APE8-rot-out | 186.35 | APE67-dihe-in | -104.87, -21.77 | -63.7, -3.01 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-out | 9.5521 | APE9-dist-in | 5.8716 | None | SEP365,SEP729 | SEP365,SEP729 | EM | 3.89 | 999.0 | 999.0 | B | 766.0 | 272.0 | 13 | 30 | 17 | 13 | [[457, 716]] | 1.0 | 7mff | 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 | 7MFFA | P15056 | 449 | 732 | 766.0 | 215:801 | Type1 | Inactive | DFGin | 6.3603 | 14.7421 | BLAminus | -112.03, -166.91 | 58.58, 66.73 | -90.64, 30.13 | 276.88, 45.65 | -62.65, -42.41 | in-out | in | 9.0302 | Saltbr-out | 4.5215 | HRD-in | -80.55, -46.77 | 72.64, -3.52 | out-in-out | SNCoio | in-out | ActLoopNT-in | 3.1175 | ActLoopCT-out | nonTYR | APEdihe_aaioi | APEdist_nnoo | APE10-dihe-na | 999.0, -12.78 | APE9-dihe-na | 72.05, -150.48 | APE8-dihe-in | -69.83, 149.19 | APE8-rot-out | 174.32 | APE67-dihe-in | -65.5, -22.12 | -103.63, -2.16 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-out | 10.0055 | APE9-dist-out | 9.0132 | None | SEP365,SEP729 | SEP365,SEP729 | EM | 3.89 | 999.0 | 999.0 | A | 766.0 | 271.0 | 13 | 30 | 17 | 13 | [[457, 716]] | 1.0 | 7mff | 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 | 7MFFB | P15056 | 449 | 733 | 766.0 | 215:801 | Type1 | Inactive | DFGin | 6.5973 | 15.0098 | BLAminus | -114.09, -161.38 | 57.73, 64.61 | -99.79, 23.65 | 275.25, 74.28 | -77.75, -48.0 | in-in | in | 9.8956 | Saltbr-in | 3.3314 | HRD-in | -85.83, -46.32 | 64.25, 3.39 | in-in-out | SNCiio | in-out | ActLoopNT-in | 3.0411 | ActLoopCT-out | nonTYR | APEdihe_aaioi | APEdist_nnoi | APE10-dihe-na | 999.0, -42.1 | APE9-dihe-na | 151.05, -167.76 | APE8-dihe-in | -113.77, 134.96 | APE8-rot-out | 186.35 | APE67-dihe-in | -104.87, -21.77 | -63.7, -3.01 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-out | 9.5521 | APE9-dist-in | 5.8716 | None | SEP365,SEP729 | SEP365,SEP729 | EM | 3.89 | 999.0 | 999.0 | B | 766.0 | 272.0 | 13 | 30 | 17 | 13 | [[457, 716]] | 1.0 | 7mff | 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 |
|---|