| 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 | 4JVGA | P15056 | 448 | 722 | 766.0 | B96:801 | Type2 | Inactive | DFGout | 12.6014 | 12.1417 | BBAminus | -152.0, -179.18 | -108.57, 103.11 | -89.17, -11.63 | 297.68, 64.75 | -65.51, 135.76 | in-in | in | 8.0919 | Saltbr-in | 2.208 | HRD-in | -60.98, -42.98 | 82.63, -9.91 | in-out-none | SNCion | out-none | ActLoopNT-out | 12.8964 | ActLoopCT-none | nonTYR | APEdihe_aanii | APEdist_nnnn | APE10-dihe-na | 999.0, 999.0 | APE9-dihe-na | 999.0, 999.0 | APE8-dihe-none | 999.0, 139.14 | APE8-rot-in | 256.63 | APE67-dihe-inflip | 91.68, -19.72 | -68.13, 164.89 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-none | 999.0 | APE9-dist-none | 999.0 | I543A,I544S,I551K,Q562R,L588N,K630S,F667E,Y673S,A688R,L706S,Q709R,S713E,L716E,S720E,P722S,K723G | None | None | XRAY | 3.09 | 0.235 | 0.295 | A | 284.0 | 262.0 | 13 | 30 | 17 | 13 | [[457, 716]] | 1.0 | 4jvg | TKL_BRAF_HUMAN | TKL | 4.8e-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 | 4JVGB | P15056 | 448 | 722 | 766.0 | B96:801 | Type2 | Inactive | DFGout | 12.8256 | 12.1842 | BBAminus | -174.75, 179.41 | -102.42, 106.41 | -90.9, -4.12 | 297.49, 49.02 | -65.8, 122.16 | in-in | in | 8.4594 | Saltbr-in | 2.7096 | HRD-in | -64.11, -47.16 | 78.18, -4.98 | in-out-out | SNCioo | out-out | ActLoopNT-out | 13.769 | ActLoopCT-out | nonTYR | APEdihe_aanoi | APEdist_nnnn | APE10-dihe-na | 999.0, 999.0 | APE9-dihe-na | 999.0, 999.0 | APE8-dihe-none | 999.0, -160.08 | APE8-rot-out | 74.04 | APE67-dihe-in | -54.93, -35.08 | -66.58, -46.12 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-none | 999.0 | APE9-dist-none | 999.0 | I543A,I544S,I551K,Q562R,L588N,K630S,F667E,Y673S,A688R,L706S,Q709R,S713E,L716E,S720E,P722S,K723G | None | None | XRAY | 3.09 | 0.235 | 0.295 | B | 284.0 | 259.0 | 16 | 30 | 14 | 16 | [[457, 716]] | 1.0 | 4jvg | TKL_BRAF_HUMAN | TKL | 4.8e-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 | 4JVGC | P15056 | 448 | 722 | 766.0 | B96:801 | Type2 | Inactive | DFGout | 12.8731 | 11.9256 | BBAminus | -170.55, 179.85 | -107.23, 105.54 | -90.8, -7.34 | 293.44, 58.77 | -62.12, 118.99 | in-in | in | 8.0749 | Saltbr-in | 3.1848 | HRD-in | -64.29, -46.36 | 80.05, -5.68 | in-none-none | SNCinn | none-none | ActLoopNT-none | 999.0 | ActLoopCT-none | nonTYR | APEdihe_aanii | APEdist_nnnn | APE10-dihe-na | 999.0, 999.0 | APE9-dihe-na | 999.0, 999.0 | APE8-dihe-none | 999.0, 172.84 | APE8-rot-in | 258.15 | APE67-dihe-in | -55.16, -37.17 | -69.96, -40.67 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-none | 999.0 | APE9-dist-none | 999.0 | I543A,I544S,I551K,Q562R,L588N,K630S,F667E,Y673S,A688R,L706S,Q709R,S713E,L716E,S720E,P722S,K723G | None | None | XRAY | 3.09 | 0.235 | 0.295 | C | 284.0 | 258.0 | 17 | 30 | 13 | 17 | [[457, 716]] | 1.0 | 4jvg | TKL_BRAF_HUMAN | TKL | 4.8e-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 | 4JVGD | P15056 | 448 | 722 | 766.0 | B96:801 | Type2 | Inactive | DFGout | 12.516 | 12.0217 | BBAminus | -150.99, -178.96 | -114.25, 104.97 | -92.99, -5.76 | 302.31, 60.74 | -58.21, 124.26 | in-in | in | 7.7077 | Saltbr-in | 2.9852 | HRD-in | -62.82, -47.42 | 78.22, -6.34 | in-out-none | SNCion | out-none | ActLoopNT-out | 12.7492 | ActLoopCT-none | nonTYR | APEdihe_aanii | APEdist_nnnn | APE10-dihe-na | 999.0, 999.0 | APE9-dihe-na | 999.0, 999.0 | APE8-dihe-none | 999.0, 171.09 | APE8-rot-in | 273.64 | APE67-dihe-in | -55.99, -27.69 | -64.17, -43.04 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-none | 999.0 | APE9-dist-none | 999.0 | I543A,I544S,I551K,Q562R,L588N,K630S,F667E,Y673S,A688R,L706S,Q709R,S713E,L716E,S720E,P722S,K723G | None | None | XRAY | 3.09 | 0.235 | 0.295 | D | 284.0 | 262.0 | 13 | 30 | 17 | 13 | [[457, 716]] | 1.0 | 4jvg | TKL_BRAF_HUMAN | TKL | 4.8e-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 | 4JVGA | P15056 | 448 | 722 | 766.0 | B96:801 | Type2 | Inactive | DFGout | 12.6014 | 12.1417 | BBAminus | -152.0, -179.18 | -108.57, 103.11 | -89.17, -11.63 | 297.68, 64.75 | -65.51, 135.76 | in-in | in | 8.0919 | Saltbr-in | 2.208 | HRD-in | -60.98, -42.98 | 82.63, -9.91 | in-out-none | SNCion | out-none | ActLoopNT-out | 12.8964 | ActLoopCT-none | nonTYR | APEdihe_aanii | APEdist_nnnn | APE10-dihe-na | 999.0, 999.0 | APE9-dihe-na | 999.0, 999.0 | APE8-dihe-none | 999.0, 139.14 | APE8-rot-in | 256.63 | APE67-dihe-inflip | 91.68, -19.72 | -68.13, 164.89 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-none | 999.0 | APE9-dist-none | 999.0 | I543A,I544S,I551K,Q562R,L588N,K630S,F667E,Y673S,A688R,L706S,Q709R,S713E,L716E,S720E,P722S,K723G | None | None | XRAY | 3.09 | 0.235 | 0.295 | A | 284.0 | 262.0 | 13 | 30 | 17 | 13 | [[457, 716]] | 1.0 | 4jvg | Homo sapiens | TKL_BRAF_HUMAN | TKL | 4.8e-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 | 4JVGB | P15056 | 448 | 722 | 766.0 | B96:801 | Type2 | Inactive | DFGout | 12.8256 | 12.1842 | BBAminus | -174.75, 179.41 | -102.42, 106.41 | -90.9, -4.12 | 297.49, 49.02 | -65.8, 122.16 | in-in | in | 8.4594 | Saltbr-in | 2.7096 | HRD-in | -64.11, -47.16 | 78.18, -4.98 | in-out-out | SNCioo | out-out | ActLoopNT-out | 13.769 | ActLoopCT-out | nonTYR | APEdihe_aanoi | APEdist_nnnn | APE10-dihe-na | 999.0, 999.0 | APE9-dihe-na | 999.0, 999.0 | APE8-dihe-none | 999.0, -160.08 | APE8-rot-out | 74.04 | APE67-dihe-in | -54.93, -35.08 | -66.58, -46.12 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-none | 999.0 | APE9-dist-none | 999.0 | I543A,I544S,I551K,Q562R,L588N,K630S,F667E,Y673S,A688R,L706S,Q709R,S713E,L716E,S720E,P722S,K723G | None | None | XRAY | 3.09 | 0.235 | 0.295 | B | 284.0 | 259.0 | 16 | 30 | 14 | 16 | [[457, 716]] | 1.0 | 4jvg | Homo sapiens | TKL_BRAF_HUMAN | TKL | 4.8e-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 | 4JVGC | P15056 | 448 | 722 | 766.0 | B96:801 | Type2 | Inactive | DFGout | 12.8731 | 11.9256 | BBAminus | -170.55, 179.85 | -107.23, 105.54 | -90.8, -7.34 | 293.44, 58.77 | -62.12, 118.99 | in-in | in | 8.0749 | Saltbr-in | 3.1848 | HRD-in | -64.29, -46.36 | 80.05, -5.68 | in-none-none | SNCinn | none-none | ActLoopNT-none | 999.0 | ActLoopCT-none | nonTYR | APEdihe_aanii | APEdist_nnnn | APE10-dihe-na | 999.0, 999.0 | APE9-dihe-na | 999.0, 999.0 | APE8-dihe-none | 999.0, 172.84 | APE8-rot-in | 258.15 | APE67-dihe-in | -55.16, -37.17 | -69.96, -40.67 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-none | 999.0 | APE9-dist-none | 999.0 | I543A,I544S,I551K,Q562R,L588N,K630S,F667E,Y673S,A688R,L706S,Q709R,S713E,L716E,S720E,P722S,K723G | None | None | XRAY | 3.09 | 0.235 | 0.295 | C | 284.0 | 258.0 | 17 | 30 | 13 | 17 | [[457, 716]] | 1.0 | 4jvg | Homo sapiens | TKL_BRAF_HUMAN | TKL | 4.8e-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 | 4JVGD | P15056 | 448 | 722 | 766.0 | B96:801 | Type2 | Inactive | DFGout | 12.516 | 12.0217 | BBAminus | -150.99, -178.96 | -114.25, 104.97 | -92.99, -5.76 | 302.31, 60.74 | -58.21, 124.26 | in-in | in | 7.7077 | Saltbr-in | 2.9852 | HRD-in | -62.82, -47.42 | 78.22, -6.34 | in-out-none | SNCion | out-none | ActLoopNT-out | 12.7492 | ActLoopCT-none | nonTYR | APEdihe_aanii | APEdist_nnnn | APE10-dihe-na | 999.0, 999.0 | APE9-dihe-na | 999.0, 999.0 | APE8-dihe-none | 999.0, 171.09 | APE8-rot-in | 273.64 | APE67-dihe-in | -55.99, -27.69 | -64.17, -43.04 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-none | 999.0 | APE9-dist-none | 999.0 | I543A,I544S,I551K,Q562R,L588N,K630S,F667E,Y673S,A688R,L706S,Q709R,S713E,L716E,S720E,P722S,K723G | None | None | XRAY | 3.09 | 0.235 | 0.295 | D | 284.0 | 262.0 | 13 | 30 | 17 | 13 | [[457, 716]] | 1.0 | 4jvg | Homo sapiens | TKL_BRAF_HUMAN | TKL | 4.8e-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 |
|---|