| 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 | 3D4QA | P15056 | 448 | 723 | 766.0 | SM5:1 | Type1 | Inactive | DFGin | 6.5911 | 13.98 | BLAminus | -119.59, 176.85 | 67.73, 95.94 | -114.03, 16.83 | 290.63, 70.02 | -53.33, -35.88 | in-in | in | 8.5927 | Saltbr-in | 2.7793 | HRD-in | -69.64, -42.7 | 65.9, 5.04 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.9103 | ActLoopCT-out | nonTYR | APEdihe_aaoio | APEdist_nooo | APE10-dihe-na | -176.28, 137.47 | APE9-dihe-na | -172.16, 131.15 | APE8-dihe-out | -92.13, -69.99 | APE8-rot-in | 247.02 | APE67-dihe-out | -57.22, -24.41 | 81.09, -39.44 | APE12-dist-none | 999.0 | APE11-dist-out | 15.2887 | APE10-dist-out | 10.6827 | APE9-dist-out | 9.3329 | None | None | None | XRAY | 2.8 | 0.216 | 0.25 | A | 307.0 | 264.0 | 12 | 30 | 18 | 12 | [[457, 716]] | 1.0 | 3d4q | 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 | 3D4QB | P15056 | 448 | 723 | 766.0 | SM5:1 | Type1 | Inactive | DFGin | 6.5089 | 13.98 | BLAminus | -115.72, 179.48 | 64.55, 97.83 | -118.24, 22.87 | 289.99, 73.94 | -51.25, -41.28 | in-in | in | 8.5357 | Saltbr-in | 2.8394 | HRD-in | -70.17, -40.87 | 65.01, 1.27 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.8966 | ActLoopCT-out | nonTYR | APEdihe_aaoio | APEdist_nooo | APE10-dihe-na | -176.8, 137.66 | APE9-dihe-na | -170.57, 133.86 | APE8-dihe-out | -95.43, -67.47 | APE8-rot-in | 248.38 | APE67-dihe-out | -55.71, -23.19 | 80.91, -41.16 | APE12-dist-none | 999.0 | APE11-dist-out | 15.2889 | APE10-dist-out | 10.6901 | APE9-dist-out | 9.3867 | None | None | None | XRAY | 2.8 | 0.216 | 0.25 | B | 307.0 | 264.0 | 12 | 30 | 18 | 12 | [[457, 716]] | 1.0 | 3d4q | 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 | 3D4QA | P15056 | 448 | 723 | 766.0 | SM5:1 | Type1 | Inactive | DFGin | 6.5911 | 13.98 | BLAminus | -119.59, 176.85 | 67.73, 95.94 | -114.03, 16.83 | 290.63, 70.02 | -53.33, -35.88 | in-in | in | 8.5927 | Saltbr-in | 2.7793 | HRD-in | -69.64, -42.7 | 65.9, 5.04 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.9103 | ActLoopCT-out | nonTYR | APEdihe_aaoio | APEdist_nooo | APE10-dihe-na | -176.28, 137.47 | APE9-dihe-na | -172.16, 131.15 | APE8-dihe-out | -92.13, -69.99 | APE8-rot-in | 247.02 | APE67-dihe-out | -57.22, -24.41 | 81.09, -39.44 | APE12-dist-none | 999.0 | APE11-dist-out | 15.2887 | APE10-dist-out | 10.6827 | APE9-dist-out | 9.3329 | None | None | None | XRAY | 2.8 | 0.216 | 0.25 | A | 307.0 | 264.0 | 12 | 30 | 18 | 12 | [[457, 716]] | 1.0 | 3d4q | 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 | 3D4QB | P15056 | 448 | 723 | 766.0 | SM5:1 | Type1 | Inactive | DFGin | 6.5089 | 13.98 | BLAminus | -115.72, 179.48 | 64.55, 97.83 | -118.24, 22.87 | 289.99, 73.94 | -51.25, -41.28 | in-in | in | 8.5357 | Saltbr-in | 2.8394 | HRD-in | -70.17, -40.87 | 65.01, 1.27 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.8966 | ActLoopCT-out | nonTYR | APEdihe_aaoio | APEdist_nooo | APE10-dihe-na | -176.8, 137.66 | APE9-dihe-na | -170.57, 133.86 | APE8-dihe-out | -95.43, -67.47 | APE8-rot-in | 248.38 | APE67-dihe-out | -55.71, -23.19 | 80.91, -41.16 | APE12-dist-none | 999.0 | APE11-dist-out | 15.2889 | APE10-dist-out | 10.6901 | APE9-dist-out | 9.3867 | None | None | None | XRAY | 2.8 | 0.216 | 0.25 | B | 307.0 | 264.0 | 12 | 30 | 18 | 12 | [[457, 716]] | 1.0 | 3d4q | 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 |
|---|