| 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 | 8F7OA | P15056 | 449 | 723 | 766.0 | QOP:801 | Type2 | Inactive | DFGout | 12.2487 | 12.0045 | BBAminus | -159.37, -168.95 | -123.81, 84.53 | -83.54, -89.81 | 307.46, 148.61 | 127.38, -72.17 | in-in | in | 8.9716 | Saltbr-in | 2.4492 | HRD-in | -72.55, -36.43 | 67.7, -16.13 | in-out-out | SNCioo | out-out | ActLoopNT-out | 20.5637 | ActLoopCT-out | nonTYR | APEdihe_aaooi | APEdist_iioo | APE10-dihe-na | 65.25, -64.98 | APE9-dihe-na | -63.4, 3.38 | APE8-dihe-out | -60.69, 15.08 | APE8-rot-out | 16.0 | APE67-dihe-in | -61.67, -17.82 | -103.11, -29.37 | APE12-dist-in | 11.8369 | APE11-dist-in | 9.4266 | APE10-dist-out | 14.448 | APE9-dist-out | 13.3252 | None | None | None | XRAY | 3.54 | 0.221 | 0.269 | A | 283.0 | 263.0 | 12 | 30 | 18 | 12 | [[457, 716]] | 1.0 | 8f7o | TKL_BRAF_HUMAN | TKL | 4.7e-84 | 288.0 | 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 | 8F7OB | P15056 | 449 | 722 | 766.0 | QOP:801 | Type2 | Inactive | DFGout | 12.526 | 11.0938 | BBAminus | -157.64, -171.1 | -125.72, 86.17 | -82.43, 36.51 | 307.61, 97.24 | -67.66, 176.06 | in-in | in | 8.8234 | Saltbr-in | 2.5188 | HRD-in | -71.26, -35.39 | 67.81, -16.97 | in-out-out | SNCioo | out-out | ActLoopNT-out | 13.3309 | ActLoopCT-out | nonTYR | APEdihe_aaoii | APEdist_oooo | APE10-dihe-na | -143.78, -76.44 | APE9-dihe-na | -71.8, -5.6 | APE8-dihe-out | -117.21, 21.56 | APE8-rot-in | 305.57 | APE67-dihe-in | -66.7, -20.49 | -89.8, -34.59 | APE12-dist-out | 21.5963 | APE11-dist-out | 24.1725 | APE10-dist-out | 26.8477 | APE9-dist-out | 27.611 | None | None | None | XRAY | 3.54 | 0.221 | 0.269 | B | 283.0 | 263.0 | 11 | 30 | 19 | 11 | [[457, 716]] | 1.0 | 8f7o | TKL_BRAF_HUMAN | TKL | 4.7e-84 | 288.0 | 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 | 8F7OA | P15056 | 449 | 723 | 766.0 | QOP:801 | Type2 | Inactive | DFGout | 12.2487 | 12.0045 | BBAminus | -159.37, -168.95 | -123.81, 84.53 | -83.54, -89.81 | 307.46, 148.61 | 127.38, -72.17 | in-in | in | 8.9716 | Saltbr-in | 2.4492 | HRD-in | -72.55, -36.43 | 67.7, -16.13 | in-out-out | SNCioo | out-out | ActLoopNT-out | 20.5637 | ActLoopCT-out | nonTYR | APEdihe_aaooi | APEdist_iioo | APE10-dihe-na | 65.25, -64.98 | APE9-dihe-na | -63.4, 3.38 | APE8-dihe-out | -60.69, 15.08 | APE8-rot-out | 16.0 | APE67-dihe-in | -61.67, -17.82 | -103.11, -29.37 | APE12-dist-in | 11.8369 | APE11-dist-in | 9.4266 | APE10-dist-out | 14.448 | APE9-dist-out | 13.3252 | None | None | None | XRAY | 3.54 | 0.221 | 0.269 | A | 283.0 | 263.0 | 12 | 30 | 18 | 12 | [[457, 716]] | 1.0 | 8f7o | Homo sapiens | TKL_BRAF_HUMAN | TKL | 4.7e-84 | 288.0 | 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 | 8F7OB | P15056 | 449 | 722 | 766.0 | QOP:801 | Type2 | Inactive | DFGout | 12.526 | 11.0938 | BBAminus | -157.64, -171.1 | -125.72, 86.17 | -82.43, 36.51 | 307.61, 97.24 | -67.66, 176.06 | in-in | in | 8.8234 | Saltbr-in | 2.5188 | HRD-in | -71.26, -35.39 | 67.81, -16.97 | in-out-out | SNCioo | out-out | ActLoopNT-out | 13.3309 | ActLoopCT-out | nonTYR | APEdihe_aaoii | APEdist_oooo | APE10-dihe-na | -143.78, -76.44 | APE9-dihe-na | -71.8, -5.6 | APE8-dihe-out | -117.21, 21.56 | APE8-rot-in | 305.57 | APE67-dihe-in | -66.7, -20.49 | -89.8, -34.59 | APE12-dist-out | 21.5963 | APE11-dist-out | 24.1725 | APE10-dist-out | 26.8477 | APE9-dist-out | 27.611 | None | None | None | XRAY | 3.54 | 0.221 | 0.269 | B | 283.0 | 263.0 | 11 | 30 | 19 | 11 | [[457, 716]] | 1.0 | 8f7o | Homo sapiens | TKL_BRAF_HUMAN | TKL | 4.7e-84 | 288.0 | 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 |
|---|