| 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 | 8QQGB | P15056 | 448 | 721 | 766.0 | WJ9:60801 | Type2 | Inactive | DFGout | 12.3817 | 12.0174 | BBAminus | -147.64, -162.97 | -128.12, 93.85 | -88.61, -11.38 | 305.49, 128.3 | -67.77, 148.99 | in-in | in | 8.3427 | Saltbr-in | 2.9448 | HRD-in | -62.34, -52.73 | 84.22, -12.03 | in-out-out | SNCioo | out-out | ActLoopNT-out | 14.1738 | ActLoopCT-out | nonTYR | APEdihe_aaiii | APEdist_nioo | APE10-dihe-na | -85.62, -151.01 | APE9-dihe-na | 70.57, -172.47 | APE8-dihe-in | -97.07, 129.86 | APE8-rot-in | 279.34 | APE67-dihe-in | -65.5, -31.27 | -104.89, -8.68 | APE12-dist-none | 999.0 | APE11-dist-in | 13.7388 | APE10-dist-out | 10.9923 | APE9-dist-out | 9.9123 | None | None | None | XRAY | 2.979 | 0.225 | 0.261 | B | 275.0 | 262.0 | 12 | 30 | 18 | 12 | [[457, 716]] | 1.0 | 8qqg | TKL_BRAF_HUMAN | TKL | 7.3e-82 | 280.8 | 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 | 8QQGC | P15056 | 448 | 721 | 766.0 | WJ9:60801 | Type2 | Inactive | DFGout | 12.1541 | 11.8956 | BBAminus | -150.55, -165.27 | -126.65, 93.95 | -89.32, -7.92 | 305.19, 129.14 | -67.42, 148.67 | in-in | in | 7.8784 | Saltbr-in | 2.9336 | HRD-in | -64.1, -53.0 | 82.95, -9.08 | in-out-out | SNCioo | out-out | ActLoopNT-out | 14.7302 | ActLoopCT-out | nonTYR | APEdihe_aaioi | APEdist_oooo | APE10-dihe-na | -89.43, -34.97 | APE9-dihe-na | -79.6, -159.5 | APE8-dihe-in | -94.88, 131.57 | APE8-rot-out | 206.31 | APE67-dihe-in | -66.23, -31.33 | -106.98, -10.88 | APE12-dist-out | 17.9677 | APE11-dist-out | 15.9144 | APE10-dist-out | 10.9772 | APE9-dist-out | 8.6829 | None | None | None | XRAY | 2.979 | 0.225 | 0.261 | C | 275.0 | 266.0 | 8 | 30 | 24 | 6 | [[457, 716]] | 1.0 | 8qqg | TKL_BRAF_HUMAN | TKL | 7.3e-82 | 280.8 | 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 | 8QQGA | P15056 | 449 | 722 | 766.0 | WJ9:60801 | Type2 | Inactive | DFGout | 12.4717 | 11.969 | None | -151.57, -162.48 | -133.16, 90.66 | -89.77, 999.0 | 301.2, 128.17 | 999.0, 999.0 | in-in | in | 8.016 | Saltbr-in | 2.9391 | HRD-in | -63.61, -53.7 | 83.78, -13.79 | in-out-out | SNCioo | out-out | ActLoopNT-out | 19.2405 | ActLoopCT-out | nonTYR | APEdihe_aaiii | APEdist_nnno | APE10-dihe-na | -92.3, -36.41 | APE9-dihe-na | -80.62, -156.71 | APE8-dihe-in | -88.56, 123.78 | APE8-rot-in | 289.2 | APE67-dihe-in | -66.04, -32.02 | -104.4, -18.88 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-none | 999.0 | APE9-dist-out | 9.1052 | None | None | None | XRAY | 2.979 | 0.225 | 0.261 | A | 275.0 | 269.0 | 5 | 30 | 27 | 3 | [[457, 716]] | 1.0 | 8qqg | TKL_BRAF_HUMAN | TKL | 7.3e-82 | 280.8 | 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 | 8QQGB | P15056 | 448 | 721 | 766.0 | WJ9:60801 | Type2 | Inactive | DFGout | 12.3817 | 12.0174 | BBAminus | -147.64, -162.97 | -128.12, 93.85 | -88.61, -11.38 | 305.49, 128.3 | -67.77, 148.99 | in-in | in | 8.3427 | Saltbr-in | 2.9448 | HRD-in | -62.34, -52.73 | 84.22, -12.03 | in-out-out | SNCioo | out-out | ActLoopNT-out | 14.1738 | ActLoopCT-out | nonTYR | APEdihe_aaiii | APEdist_nioo | APE10-dihe-na | -85.62, -151.01 | APE9-dihe-na | 70.57, -172.47 | APE8-dihe-in | -97.07, 129.86 | APE8-rot-in | 279.34 | APE67-dihe-in | -65.5, -31.27 | -104.89, -8.68 | APE12-dist-none | 999.0 | APE11-dist-in | 13.7388 | APE10-dist-out | 10.9923 | APE9-dist-out | 9.9123 | None | None | None | XRAY | 2.979 | 0.225 | 0.261 | B | 275.0 | 262.0 | 12 | 30 | 18 | 12 | [[457, 716]] | 1.0 | 8qqg | Homo sapiens | TKL_BRAF_HUMAN | TKL | 7.3e-82 | 280.8 | 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 | 8QQGC | P15056 | 448 | 721 | 766.0 | WJ9:60801 | Type2 | Inactive | DFGout | 12.1541 | 11.8956 | BBAminus | -150.55, -165.27 | -126.65, 93.95 | -89.32, -7.92 | 305.19, 129.14 | -67.42, 148.67 | in-in | in | 7.8784 | Saltbr-in | 2.9336 | HRD-in | -64.1, -53.0 | 82.95, -9.08 | in-out-out | SNCioo | out-out | ActLoopNT-out | 14.7302 | ActLoopCT-out | nonTYR | APEdihe_aaioi | APEdist_oooo | APE10-dihe-na | -89.43, -34.97 | APE9-dihe-na | -79.6, -159.5 | APE8-dihe-in | -94.88, 131.57 | APE8-rot-out | 206.31 | APE67-dihe-in | -66.23, -31.33 | -106.98, -10.88 | APE12-dist-out | 17.9677 | APE11-dist-out | 15.9144 | APE10-dist-out | 10.9772 | APE9-dist-out | 8.6829 | None | None | None | XRAY | 2.979 | 0.225 | 0.261 | C | 275.0 | 266.0 | 8 | 30 | 24 | 6 | [[457, 716]] | 1.0 | 8qqg | Homo sapiens | TKL_BRAF_HUMAN | TKL | 7.3e-82 | 280.8 | 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 | 8QQGA | P15056 | 449 | 722 | 766.0 | WJ9:60801 | Type2 | Inactive | DFGout | 12.4717 | 11.969 | None | -151.57, -162.48 | -133.16, 90.66 | -89.77, 999.0 | 301.2, 128.17 | 999.0, 999.0 | in-in | in | 8.016 | Saltbr-in | 2.9391 | HRD-in | -63.61, -53.7 | 83.78, -13.79 | in-out-out | SNCioo | out-out | ActLoopNT-out | 19.2405 | ActLoopCT-out | nonTYR | APEdihe_aaiii | APEdist_nnno | APE10-dihe-na | -92.3, -36.41 | APE9-dihe-na | -80.62, -156.71 | APE8-dihe-in | -88.56, 123.78 | APE8-rot-in | 289.2 | APE67-dihe-in | -66.04, -32.02 | -104.4, -18.88 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-none | 999.0 | APE9-dist-out | 9.1052 | None | None | None | XRAY | 2.979 | 0.225 | 0.261 | A | 275.0 | 269.0 | 5 | 30 | 27 | 3 | [[457, 716]] | 1.0 | 8qqg | Homo sapiens | TKL_BRAF_HUMAN | TKL | 7.3e-82 | 280.8 | 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 |
|---|