| 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 | 3PPKA | P15056 | 448 | 723 | 766.0 | FNI:727 | Type1 | Inactive | DFGin | 6.7872 | 14.382 | BLAminus | -124.0, -178.09 | 61.54, 97.13 | -118.14, 23.65 | 285.19, 77.52 | -61.73, -35.13 | in-in | in | 8.7368 | Saltbr-in | 2.8601 | HRD-in | -66.77, -41.36 | 66.1, 8.95 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.9342 | ActLoopCT-out | nonTYR | APEdihe_aaioi | APEdist_nnno | APE10-dihe-na | 999.0, 999.0 | APE9-dihe-na | 999.0, 99.28 | APE8-dihe-in | -100.64, 92.54 | APE8-rot-out | 47.4 | APE67-dihe-in | -51.11, -21.18 | -88.3, -31.24 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-none | 999.0 | APE9-dist-out | 9.435 | None | None | None | XRAY | 3.0 | 0.24 | 0.28 | A | 307.0 | 262.0 | 14 | 30 | 16 | 14 | [[457, 716]] | 1.0 | 3ppk | TKL_BRAF_HUMAN | TKL | 1.1e-81 | 280.3 | 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 | 3PPKB | P15056 | 448 | 723 | 766.0 | FNI:727 | Type1 | Inactive | DFGin | 6.7092 | 14.378 | BLAminus | -125.5, 174.44 | 62.28, 98.6 | -113.07, 20.9 | 286.12, 77.58 | -56.3, -29.42 | in-in | in | 8.3148 | Saltbr-in | 2.694 | HRD-in | -66.38, -37.05 | 62.53, -7.49 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.8879 | ActLoopCT-out | nonTYR | APEdihe_aaiii | APEdist_nioo | APE10-dihe-na | -30.44, 114.56 | APE9-dihe-na | -161.69, -112.88 | APE8-dihe-in | -94.17, 136.57 | APE8-rot-in | 283.49 | APE67-dihe-in | -57.1, -15.24 | -108.67, -33.54 | APE12-dist-none | 999.0 | APE11-dist-in | 8.399 | APE10-dist-out | 11.6581 | APE9-dist-out | 8.3137 | None | None | None | XRAY | 3.0 | 0.24 | 0.28 | B | 307.0 | 264.0 | 12 | 30 | 18 | 12 | [[457, 716]] | 1.0 | 3ppk | TKL_BRAF_HUMAN | TKL | 1.1e-81 | 280.3 | 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 | 3PPKA | P15056 | 448 | 723 | 766.0 | FNI:727 | Type1 | Inactive | DFGin | 6.7872 | 14.382 | BLAminus | -124.0, -178.09 | 61.54, 97.13 | -118.14, 23.65 | 285.19, 77.52 | -61.73, -35.13 | in-in | in | 8.7368 | Saltbr-in | 2.8601 | HRD-in | -66.77, -41.36 | 66.1, 8.95 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.9342 | ActLoopCT-out | nonTYR | APEdihe_aaioi | APEdist_nnno | APE10-dihe-na | 999.0, 999.0 | APE9-dihe-na | 999.0, 99.28 | APE8-dihe-in | -100.64, 92.54 | APE8-rot-out | 47.4 | APE67-dihe-in | -51.11, -21.18 | -88.3, -31.24 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-none | 999.0 | APE9-dist-out | 9.435 | None | None | None | XRAY | 3.0 | 0.24 | 0.28 | A | 307.0 | 262.0 | 14 | 30 | 16 | 14 | [[457, 716]] | 1.0 | 3ppk | Homo sapiens | TKL_BRAF_HUMAN | TKL | 1.1e-81 | 280.3 | 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 | 3PPKB | P15056 | 448 | 723 | 766.0 | FNI:727 | Type1 | Inactive | DFGin | 6.7092 | 14.378 | BLAminus | -125.5, 174.44 | 62.28, 98.6 | -113.07, 20.9 | 286.12, 77.58 | -56.3, -29.42 | in-in | in | 8.3148 | Saltbr-in | 2.694 | HRD-in | -66.38, -37.05 | 62.53, -7.49 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.8879 | ActLoopCT-out | nonTYR | APEdihe_aaiii | APEdist_nioo | APE10-dihe-na | -30.44, 114.56 | APE9-dihe-na | -161.69, -112.88 | APE8-dihe-in | -94.17, 136.57 | APE8-rot-in | 283.49 | APE67-dihe-in | -57.1, -15.24 | -108.67, -33.54 | APE12-dist-none | 999.0 | APE11-dist-in | 8.399 | APE10-dist-out | 11.6581 | APE9-dist-out | 8.3137 | None | None | None | XRAY | 3.0 | 0.24 | 0.28 | B | 307.0 | 264.0 | 12 | 30 | 18 | 12 | [[457, 716]] | 1.0 | 3ppk | Homo sapiens | TKL_BRAF_HUMAN | TKL | 1.1e-81 | 280.3 | 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 |
|---|