| 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 | 5HIEA | P15056 | 449 | 722 | 766.0 | P06:801 | Type1 | Inactive | DFGin | 8.9292 | 14.4485 | BLBminus | -141.8, -164.77 | 53.26, 57.86 | -65.92, 138.13 | 285.18, 76.08 | -69.2, 130.11 | out-out | out | 15.7254 | Saltbr-out | 12.5 | HRD-in | -60.62, -46.76 | 71.26, -9.44 | out-out-out | SNCooo | out-out | ActLoopNT-out | 12.7376 | ActLoopCT-out | nonTYR | APEdihe_aaiii | APEdist_nnno | APE10-dihe-na | 999.0, 999.0 | APE9-dihe-na | 999.0, 143.17 | APE8-dihe-in | -83.81, 99.59 | APE8-rot-in | 302.38 | APE67-dihe-in | -53.53, -27.96 | -85.37, -23.32 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-none | 999.0 | APE9-dist-out | 10.1759 | None | None | None | XRAY | 3.0 | 0.196 | 0.221 | A | 302.0 | 258.0 | 11 | 30 | 19 | 11 | [[457, 716]] | 1.0 | 5hie | TKL_BRAF_HUMAN | TKL | 5.8e-80 | 274.6 | 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 | 5HIEB | P15056 | 449 | 722 | 766.0 | P06:801 | Type1 | Inactive | DFGin | 9.0768 | 14.341 | BLBminus | -142.86, -164.65 | 53.45, 58.39 | -66.51, 138.76 | 285.5, 75.66 | -69.99, 128.6 | out-out | out | 16.4397 | Saltbr-out | 12.3252 | HRD-in | -61.23, -46.57 | 70.13, -7.74 | out-out-out | SNCooo | out-out | ActLoopNT-out | 12.5252 | ActLoopCT-out | nonTYR | APEdihe_aaiii | APEdist_nnoo | APE10-dihe-na | 999.0, 61.11 | APE9-dihe-na | -158.28, 177.47 | APE8-dihe-in | -84.39, 102.56 | APE8-rot-in | 300.94 | APE67-dihe-in | -53.91, -28.83 | -85.61, -22.02 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-out | 14.1354 | APE9-dist-out | 9.8356 | None | None | None | XRAY | 3.0 | 0.196 | 0.221 | B | 302.0 | 259.0 | 10 | 30 | 20 | 10 | [[457, 716]] | 1.0 | 5hie | TKL_BRAF_HUMAN | TKL | 5.8e-80 | 274.6 | 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 | 5HIEC | P15056 | 449 | 722 | 766.0 | P06:801 | Type1 | Inactive | DFGin | 10.205 | 14.4478 | BLBminus | -142.24, -163.89 | 53.8, 57.5 | -66.04, 139.53 | 285.14, 75.68 | -75.41, 148.8 | out-out | out | 16.3072 | Saltbr-out | 11.8568 | HRD-in | -60.99, -45.77 | 71.53, -8.16 | out-none-out | SNCono | none-out | ActLoopNT-none | 999.0 | ActLoopCT-out | nonTYR | APEdihe_aaiii | APEdist_nnoo | APE10-dihe-na | 999.0, 139.61 | APE9-dihe-na | 88.59, -130.66 | APE8-dihe-in | -113.06, 104.87 | APE8-rot-in | 299.6 | APE67-dihe-in | -52.68, -29.4 | -86.36, -21.79 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-out | 12.1115 | APE9-dist-out | 10.0179 | None | None | None | XRAY | 3.0 | 0.196 | 0.221 | C | 302.0 | 253.0 | 16 | 30 | 14 | 16 | [[457, 716]] | 1.0 | 5hie | TKL_BRAF_HUMAN | TKL | 5.8e-80 | 274.6 | 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 | 5HIED | P15056 | 449 | 722 | 766.0 | P06:801 | Type1 | Inactive | DFGin | 10.0279 | 14.3202 | BLBminus | -141.99, -164.94 | 53.95, 58.44 | -66.89, 145.64 | 284.8, 75.43 | -81.74, 146.41 | out-out | out | 15.1474 | Saltbr-out | 11.8271 | HRD-in | -60.57, -44.96 | 73.09, -9.93 | out-none-out | SNCono | none-out | ActLoopNT-none | 999.0 | ActLoopCT-out | nonTYR | APEdihe_aaiii | APEdist_nnoo | APE10-dihe-na | 999.0, -51.59 | APE9-dihe-na | 147.01, -158.11 | APE8-dihe-in | -84.1, 102.2 | APE8-rot-in | 299.84 | APE67-dihe-in | -53.01, -29.18 | -85.5, -22.02 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-out | 14.012 | APE9-dist-out | 9.7896 | None | None | None | XRAY | 3.0 | 0.196 | 0.221 | D | 302.0 | 253.0 | 16 | 30 | 14 | 16 | [[457, 716]] | 1.0 | 5hie | TKL_BRAF_HUMAN | TKL | 5.8e-80 | 274.6 | 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 | 5HIEA | P15056 | 449 | 722 | 766.0 | P06:801 | Type1 | Inactive | DFGin | 8.9292 | 14.4485 | BLBminus | -141.8, -164.77 | 53.26, 57.86 | -65.92, 138.13 | 285.18, 76.08 | -69.2, 130.11 | out-out | out | 15.7254 | Saltbr-out | 12.5 | HRD-in | -60.62, -46.76 | 71.26, -9.44 | out-out-out | SNCooo | out-out | ActLoopNT-out | 12.7376 | ActLoopCT-out | nonTYR | APEdihe_aaiii | APEdist_nnno | APE10-dihe-na | 999.0, 999.0 | APE9-dihe-na | 999.0, 143.17 | APE8-dihe-in | -83.81, 99.59 | APE8-rot-in | 302.38 | APE67-dihe-in | -53.53, -27.96 | -85.37, -23.32 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-none | 999.0 | APE9-dist-out | 10.1759 | None | None | None | XRAY | 3.0 | 0.196 | 0.221 | A | 302.0 | 258.0 | 11 | 30 | 19 | 11 | [[457, 716]] | 1.0 | 5hie | Homo sapiens | TKL_BRAF_HUMAN | TKL | 5.8e-80 | 274.6 | 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 | 5HIEB | P15056 | 449 | 722 | 766.0 | P06:801 | Type1 | Inactive | DFGin | 9.0768 | 14.341 | BLBminus | -142.86, -164.65 | 53.45, 58.39 | -66.51, 138.76 | 285.5, 75.66 | -69.99, 128.6 | out-out | out | 16.4397 | Saltbr-out | 12.3252 | HRD-in | -61.23, -46.57 | 70.13, -7.74 | out-out-out | SNCooo | out-out | ActLoopNT-out | 12.5252 | ActLoopCT-out | nonTYR | APEdihe_aaiii | APEdist_nnoo | APE10-dihe-na | 999.0, 61.11 | APE9-dihe-na | -158.28, 177.47 | APE8-dihe-in | -84.39, 102.56 | APE8-rot-in | 300.94 | APE67-dihe-in | -53.91, -28.83 | -85.61, -22.02 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-out | 14.1354 | APE9-dist-out | 9.8356 | None | None | None | XRAY | 3.0 | 0.196 | 0.221 | B | 302.0 | 259.0 | 10 | 30 | 20 | 10 | [[457, 716]] | 1.0 | 5hie | Homo sapiens | TKL_BRAF_HUMAN | TKL | 5.8e-80 | 274.6 | 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 | 5HIEC | P15056 | 449 | 722 | 766.0 | P06:801 | Type1 | Inactive | DFGin | 10.205 | 14.4478 | BLBminus | -142.24, -163.89 | 53.8, 57.5 | -66.04, 139.53 | 285.14, 75.68 | -75.41, 148.8 | out-out | out | 16.3072 | Saltbr-out | 11.8568 | HRD-in | -60.99, -45.77 | 71.53, -8.16 | out-none-out | SNCono | none-out | ActLoopNT-none | 999.0 | ActLoopCT-out | nonTYR | APEdihe_aaiii | APEdist_nnoo | APE10-dihe-na | 999.0, 139.61 | APE9-dihe-na | 88.59, -130.66 | APE8-dihe-in | -113.06, 104.87 | APE8-rot-in | 299.6 | APE67-dihe-in | -52.68, -29.4 | -86.36, -21.79 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-out | 12.1115 | APE9-dist-out | 10.0179 | None | None | None | XRAY | 3.0 | 0.196 | 0.221 | C | 302.0 | 253.0 | 16 | 30 | 14 | 16 | [[457, 716]] | 1.0 | 5hie | Homo sapiens | TKL_BRAF_HUMAN | TKL | 5.8e-80 | 274.6 | 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 | 5HIED | P15056 | 449 | 722 | 766.0 | P06:801 | Type1 | Inactive | DFGin | 10.0279 | 14.3202 | BLBminus | -141.99, -164.94 | 53.95, 58.44 | -66.89, 145.64 | 284.8, 75.43 | -81.74, 146.41 | out-out | out | 15.1474 | Saltbr-out | 11.8271 | HRD-in | -60.57, -44.96 | 73.09, -9.93 | out-none-out | SNCono | none-out | ActLoopNT-none | 999.0 | ActLoopCT-out | nonTYR | APEdihe_aaiii | APEdist_nnoo | APE10-dihe-na | 999.0, -51.59 | APE9-dihe-na | 147.01, -158.11 | APE8-dihe-in | -84.1, 102.2 | APE8-rot-in | 299.84 | APE67-dihe-in | -53.01, -29.18 | -85.5, -22.02 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-out | 14.012 | APE9-dist-out | 9.7896 | None | None | None | XRAY | 3.0 | 0.196 | 0.221 | D | 302.0 | 253.0 | 16 | 30 | 14 | 16 | [[457, 716]] | 1.0 | 5hie | Homo sapiens | TKL_BRAF_HUMAN | TKL | 5.8e-80 | 274.6 | 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 |
|---|