| 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 | 4EHEA | P15056 | 448 | 723 | 766.0 | RI8:801 | Type1.5_Back | Inactive | DFGin | 5.0482 | 13.184 | BLAplus | -125.98, -178.47 | 62.84, 29.19 | -94.42, -4.71 | 59.77, 96.5 | -101.0, 165.52 | out-out | out | 11.9444 | Saltbr-out | 10.7783 | HRD-in | -64.88, -47.02 | 61.07, 32.78 | out-out-out | SNCooo | out-out | ActLoopNT-out | 8.7372 | ActLoopCT-out | nonTYR | APEdihe_aaooi | APEdist_nnoo | APE10-dihe-na | 999.0, 118.03 | APE9-dihe-na | 87.24, 14.12 | APE8-dihe-out | -132.26, 44.88 | APE8-rot-out | 37.19 | APE67-dihe-in | -55.75, -26.88 | -67.03, -34.18 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-out | 17.0191 | APE9-dist-out | 11.1578 | None | None | None | XRAY | 3.3 | 0.228 | 0.296 | A | 307.0 | 266.0 | 10 | 30 | 20 | 10 | [[457, 716]] | 1.0 | 4ehe | 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 | 4EHEB | P15056 | 448 | 723 | 766.0 | RI8:801 | Type1.5_Back | Inactive | DFGin | 5.5294 | 13.8414 | BLAplus | -127.25, -168.5 | 56.47, 32.77 | -102.51, 8.59 | 61.37, 88.08 | -68.29, -97.55 | out-out | out | 11.8601 | Saltbr-out | 11.0002 | HRD-in | -73.09, -51.91 | 79.83, -18.55 | out-out-out | SNCooo | out-out | ActLoopNT-out | 8.7141 | ActLoopCT-out | nonTYR | APEdihe_aaooi | APEdist_iooo | APE10-dihe-na | -63.16, -31.12 | APE9-dihe-na | -64.6, -10.1 | APE8-dihe-out | -150.53, 33.92 | APE8-rot-out | 19.79 | APE67-dihe-in | -56.94, -33.52 | -58.48, -40.21 | APE12-dist-in | 11.2939 | APE11-dist-out | 14.9928 | APE10-dist-out | 18.4473 | APE9-dist-out | 10.035 | None | None | None | XRAY | 3.3 | 0.228 | 0.296 | B | 307.0 | 276.0 | 0 | 30 | 30 | 0 | [[457, 716]] | 1.0 | 4ehe | 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 | 4EHEA | P15056 | 448 | 723 | 766.0 | RI8:801 | Type1.5_Back | Inactive | DFGin | 5.0482 | 13.184 | BLAplus | -125.98, -178.47 | 62.84, 29.19 | -94.42, -4.71 | 59.77, 96.5 | -101.0, 165.52 | out-out | out | 11.9444 | Saltbr-out | 10.7783 | HRD-in | -64.88, -47.02 | 61.07, 32.78 | out-out-out | SNCooo | out-out | ActLoopNT-out | 8.7372 | ActLoopCT-out | nonTYR | APEdihe_aaooi | APEdist_nnoo | APE10-dihe-na | 999.0, 118.03 | APE9-dihe-na | 87.24, 14.12 | APE8-dihe-out | -132.26, 44.88 | APE8-rot-out | 37.19 | APE67-dihe-in | -55.75, -26.88 | -67.03, -34.18 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-out | 17.0191 | APE9-dist-out | 11.1578 | None | None | None | XRAY | 3.3 | 0.228 | 0.296 | A | 307.0 | 266.0 | 10 | 30 | 20 | 10 | [[457, 716]] | 1.0 | 4ehe | 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 | 4EHEB | P15056 | 448 | 723 | 766.0 | RI8:801 | Type1.5_Back | Inactive | DFGin | 5.5294 | 13.8414 | BLAplus | -127.25, -168.5 | 56.47, 32.77 | -102.51, 8.59 | 61.37, 88.08 | -68.29, -97.55 | out-out | out | 11.8601 | Saltbr-out | 11.0002 | HRD-in | -73.09, -51.91 | 79.83, -18.55 | out-out-out | SNCooo | out-out | ActLoopNT-out | 8.7141 | ActLoopCT-out | nonTYR | APEdihe_aaooi | APEdist_iooo | APE10-dihe-na | -63.16, -31.12 | APE9-dihe-na | -64.6, -10.1 | APE8-dihe-out | -150.53, 33.92 | APE8-rot-out | 19.79 | APE67-dihe-in | -56.94, -33.52 | -58.48, -40.21 | APE12-dist-in | 11.2939 | APE11-dist-out | 14.9928 | APE10-dist-out | 18.4473 | APE9-dist-out | 10.035 | None | None | None | XRAY | 3.3 | 0.228 | 0.296 | B | 307.0 | 276.0 | 0 | 30 | 30 | 0 | [[457, 716]] | 1.0 | 4ehe | 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 |
|---|