| 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 | 5HIDA | P15056 | 449 | 722 | 766.0 | B1E:801 | Type2 | Inactive | DFGout | 12.4928 | 12.017 | BBAminus | -148.05, -170.32 | -131.28, 92.62 | -86.53, -2.96 | 298.53, 92.2 | -68.79, 146.98 | in-in | in | 8.4917 | Saltbr-in | 2.7661 | HRD-in | -64.1, -45.87 | 83.74, -14.82 | in-none-out | SNCino | none-out | ActLoopNT-none | 999.0 | ActLoopCT-out | nonTYR | APEdihe_aaoii | APEdist_iioo | APE10-dihe-na | -62.68, -30.19 | APE9-dihe-na | -87.33, 7.43 | APE8-dihe-out | -130.88, -13.43 | APE8-rot-in | 296.58 | APE67-dihe-in | -61.83, -28.04 | -56.1, -37.18 | APE12-dist-in | 11.1528 | APE11-dist-in | 12.5429 | APE10-dist-out | 13.6964 | APE9-dist-out | 11.1496 | I543A,I544S,I551K,Q562R,L588N,K630S,F667E,Y673S,A688R,L706S,Q709R,S713E,L716E,S720E,P722S,K723G | None | None | XRAY | 2.5 | 0.236 | 0.279 | A | 283.0 | 257.0 | 12 | 30 | 18 | 12 | [[457, 716]] | 1.0 | 5hid | TKL_BRAF_HUMAN | TKL | 2.7e-82 | 282.3 | 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 | 5HIDB | P15056 | 449 | 722 | 766.0 | B1E:801 | Type2 | Inactive | DFGout | 12.1592 | 11.8346 | BBAminus | -150.17, -165.44 | -136.1, 98.11 | -93.2, 7.71 | 302.03, 95.62 | -74.12, 132.04 | in-in | in | 8.4035 | Saltbr-in | 2.744 | HRD-in | -63.77, -45.74 | 86.42, -18.86 | in-out-out | SNCioo | out-out | ActLoopNT-out | 15.4696 | ActLoopCT-out | nonTYR | APEdihe_aaoii | APEdist_iioo | APE10-dihe-na | -62.79, -30.35 | APE9-dihe-na | -86.15, 7.38 | APE8-dihe-out | -132.43, -14.16 | APE8-rot-in | 296.5 | APE67-dihe-in | -61.76, -28.27 | -56.26, -37.09 | APE12-dist-in | 11.7648 | APE11-dist-in | 13.0424 | APE10-dist-out | 14.1453 | APE9-dist-out | 11.0657 | I543A,I544S,I551K,Q562R,L588N,K630S,F667E,Y673S,A688R,L706S,Q709R,S713E,L716E,S720E,P722S,K723G | None | None | XRAY | 2.5 | 0.236 | 0.279 | B | 283.0 | 269.0 | 0 | 30 | 30 | 0 | [[457, 716]] | 1.0 | 5hid | TKL_BRAF_HUMAN | TKL | 2.7e-82 | 282.3 | 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 | 5HIDA | P15056 | 449 | 722 | 766.0 | B1E:801 | Type2 | Inactive | DFGout | 12.4928 | 12.017 | BBAminus | -148.05, -170.32 | -131.28, 92.62 | -86.53, -2.96 | 298.53, 92.2 | -68.79, 146.98 | in-in | in | 8.4917 | Saltbr-in | 2.7661 | HRD-in | -64.1, -45.87 | 83.74, -14.82 | in-none-out | SNCino | none-out | ActLoopNT-none | 999.0 | ActLoopCT-out | nonTYR | APEdihe_aaoii | APEdist_iioo | APE10-dihe-na | -62.68, -30.19 | APE9-dihe-na | -87.33, 7.43 | APE8-dihe-out | -130.88, -13.43 | APE8-rot-in | 296.58 | APE67-dihe-in | -61.83, -28.04 | -56.1, -37.18 | APE12-dist-in | 11.1528 | APE11-dist-in | 12.5429 | APE10-dist-out | 13.6964 | APE9-dist-out | 11.1496 | I543A,I544S,I551K,Q562R,L588N,K630S,F667E,Y673S,A688R,L706S,Q709R,S713E,L716E,S720E,P722S,K723G | None | None | XRAY | 2.5 | 0.236 | 0.279 | A | 283.0 | 257.0 | 12 | 30 | 18 | 12 | [[457, 716]] | 1.0 | 5hid | Homo sapiens | TKL_BRAF_HUMAN | TKL | 2.7e-82 | 282.3 | 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 | 5HIDB | P15056 | 449 | 722 | 766.0 | B1E:801 | Type2 | Inactive | DFGout | 12.1592 | 11.8346 | BBAminus | -150.17, -165.44 | -136.1, 98.11 | -93.2, 7.71 | 302.03, 95.62 | -74.12, 132.04 | in-in | in | 8.4035 | Saltbr-in | 2.744 | HRD-in | -63.77, -45.74 | 86.42, -18.86 | in-out-out | SNCioo | out-out | ActLoopNT-out | 15.4696 | ActLoopCT-out | nonTYR | APEdihe_aaoii | APEdist_iioo | APE10-dihe-na | -62.79, -30.35 | APE9-dihe-na | -86.15, 7.38 | APE8-dihe-out | -132.43, -14.16 | APE8-rot-in | 296.5 | APE67-dihe-in | -61.76, -28.27 | -56.26, -37.09 | APE12-dist-in | 11.7648 | APE11-dist-in | 13.0424 | APE10-dist-out | 14.1453 | APE9-dist-out | 11.0657 | I543A,I544S,I551K,Q562R,L588N,K630S,F667E,Y673S,A688R,L706S,Q709R,S713E,L716E,S720E,P722S,K723G | None | None | XRAY | 2.5 | 0.236 | 0.279 | B | 283.0 | 269.0 | 0 | 30 | 30 | 0 | [[457, 716]] | 1.0 | 5hid | Homo sapiens | TKL_BRAF_HUMAN | TKL | 2.7e-82 | 282.3 | 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 |
|---|