| 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 | 7K0VA | P15056 | 449 | 722 | 766.0 | VQP:801 | Type2 | Inactive | DFGout | 12.1949 | 11.9177 | BBAminus | -162.68, -156.07 | -117.9, 96.89 | -109.54, 16.15 | 299.04, 103.45 | -77.91, 116.59 | in-in | in | 8.6764 | Saltbr-in | 3.1479 | HRD-in | -72.28, -41.59 | 81.4, -9.83 | in-out-out | SNCioo | out-out | ActLoopNT-out | 23.0932 | ActLoopCT-out | nonTYR | APEdihe_aaiii | APEdist_iooo | APE10-dihe-na | -92.4, 141.9 | APE9-dihe-na | -84.31, -172.93 | APE8-dihe-in | -81.24, 56.12 | APE8-rot-in | 309.48 | APE67-dihe-in | -74.89, -22.92 | -59.56, -24.75 | APE12-dist-in | 9.7521 | APE11-dist-out | 15.2966 | APE10-dist-out | 14.3985 | APE9-dist-out | 8.9843 | None | None | None | XRAY | 1.93 | 0.187 | 0.23 | A | 288.0 | 262.0 | 12 | 30 | 21 | 9 | [[457, 716]] | 1.0 | 7k0v | TKL_BRAF_HUMAN | TKL | 5.8e-84 | 287.7 | 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 | 7K0VB | P15056 | 449 | 722 | 766.0 | VQP:801 | Type2 | Inactive | DFGout | 12.3402 | 11.7014 | BBAminus | -167.19, -159.19 | -104.12, 109.97 | -117.14, 1.82 | 293.72, 96.78 | -102.83, -58.49 | in-in | in | 8.3516 | Saltbr-in | 2.7563 | HRD-in | -71.48, -47.17 | 73.94, -6.06 | in-out-out | SNCioo | out-out | ActLoopNT-out | 14.0874 | ActLoopCT-out | nonTYR | APEdihe_aaoii | APEdist_oooo | APE10-dihe-na | -97.2, 2.25 | APE9-dihe-na | 176.29, 177.5 | APE8-dihe-out | 64.18, 15.92 | APE8-rot-in | 287.72 | APE67-dihe-in | -68.76, -19.22 | -66.09, -26.1 | APE12-dist-out | 14.721 | APE11-dist-out | 16.4467 | APE10-dist-out | 12.4409 | APE9-dist-out | 10.1033 | None | None | None | XRAY | 1.93 | 0.187 | 0.23 | B | 288.0 | 264.0 | 10 | 30 | 23 | 7 | [[457, 716]] | 1.0 | 7k0v | TKL_BRAF_HUMAN | TKL | 5.8e-84 | 287.7 | 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 | 7K0VC | P15056 | 448 | 722 | 766.0 | VQP:801 | Type2 | Inactive | DFGout | 12.4153 | 11.3121 | BBAminus | -149.63, -160.06 | -140.65, 98.9 | -96.4, 9.54 | 307.52, 103.4 | -76.49, 147.45 | in-in | in | 8.5583 | Saltbr-in | 2.7268 | HRD-in | -65.37, -52.41 | 83.32, -6.12 | in-out-out | SNCioo | out-out | ActLoopNT-out | 18.1806 | ActLoopCT-out | nonTYR | APEdihe_aaoii | APEdist_nnno | APE10-dihe-na | 999.0, 999.0 | APE9-dihe-na | 999.0, -119.69 | APE8-dihe-out | -98.34, 2.05 | APE8-rot-in | 283.36 | APE67-dihe-in | -63.48, -24.0 | -64.49, -30.31 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-none | 999.0 | APE9-dist-out | 11.0911 | None | None | None | XRAY | 1.93 | 0.187 | 0.23 | C | 288.0 | 267.0 | 8 | 30 | 22 | 8 | [[457, 716]] | 1.0 | 7k0v | TKL_BRAF_HUMAN | TKL | 5.8e-84 | 287.7 | 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 | 7K0VD | P15056 | 449 | 722 | 766.0 | VQP:801 | Type2 | Inactive | DFGout | 12.3768 | 11.4176 | BBAminus | -149.15, -161.3 | -137.52, 97.73 | -97.03, 6.48 | 305.14, 104.21 | -74.28, 146.89 | in-in | in | 8.685 | Saltbr-in | 2.7246 | HRD-in | -66.71, -47.33 | 78.8, -19.85 | in-out-out | SNCioo | out-out | ActLoopNT-out | 18.6895 | ActLoopCT-out | nonTYR | APEdihe_aaoii | APEdist_iioo | APE10-dihe-na | -56.48, -29.5 | APE9-dihe-na | -75.21, -5.78 | APE8-dihe-out | -116.03, -0.39 | APE8-rot-in | 294.97 | APE67-dihe-in | -63.2, -20.28 | -68.0, -40.36 | APE12-dist-in | 10.9504 | APE11-dist-in | 12.5473 | APE10-dist-out | 13.5227 | APE9-dist-out | 10.7511 | None | None | None | XRAY | 1.93 | 0.187 | 0.23 | D | 288.0 | 271.0 | 3 | 30 | 27 | 3 | [[457, 716]] | 1.0 | 7k0v | TKL_BRAF_HUMAN | TKL | 5.8e-84 | 287.7 | 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 | 7K0VA | P15056 | 449 | 722 | 766.0 | VQP:801 | Type2 | Inactive | DFGout | 12.1949 | 11.9177 | BBAminus | -162.68, -156.07 | -117.9, 96.89 | -109.54, 16.15 | 299.04, 103.45 | -77.91, 116.59 | in-in | in | 8.6764 | Saltbr-in | 3.1479 | HRD-in | -72.28, -41.59 | 81.4, -9.83 | in-out-out | SNCioo | out-out | ActLoopNT-out | 23.0932 | ActLoopCT-out | nonTYR | APEdihe_aaiii | APEdist_iooo | APE10-dihe-na | -92.4, 141.9 | APE9-dihe-na | -84.31, -172.93 | APE8-dihe-in | -81.24, 56.12 | APE8-rot-in | 309.48 | APE67-dihe-in | -74.89, -22.92 | -59.56, -24.75 | APE12-dist-in | 9.7521 | APE11-dist-out | 15.2966 | APE10-dist-out | 14.3985 | APE9-dist-out | 8.9843 | None | None | None | XRAY | 1.93 | 0.187 | 0.23 | A | 288.0 | 262.0 | 12 | 30 | 21 | 9 | [[457, 716]] | 1.0 | 7k0v | Homo sapiens | TKL_BRAF_HUMAN | TKL | 5.8e-84 | 287.7 | 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 | 7K0VB | P15056 | 449 | 722 | 766.0 | VQP:801 | Type2 | Inactive | DFGout | 12.3402 | 11.7014 | BBAminus | -167.19, -159.19 | -104.12, 109.97 | -117.14, 1.82 | 293.72, 96.78 | -102.83, -58.49 | in-in | in | 8.3516 | Saltbr-in | 2.7563 | HRD-in | -71.48, -47.17 | 73.94, -6.06 | in-out-out | SNCioo | out-out | ActLoopNT-out | 14.0874 | ActLoopCT-out | nonTYR | APEdihe_aaoii | APEdist_oooo | APE10-dihe-na | -97.2, 2.25 | APE9-dihe-na | 176.29, 177.5 | APE8-dihe-out | 64.18, 15.92 | APE8-rot-in | 287.72 | APE67-dihe-in | -68.76, -19.22 | -66.09, -26.1 | APE12-dist-out | 14.721 | APE11-dist-out | 16.4467 | APE10-dist-out | 12.4409 | APE9-dist-out | 10.1033 | None | None | None | XRAY | 1.93 | 0.187 | 0.23 | B | 288.0 | 264.0 | 10 | 30 | 23 | 7 | [[457, 716]] | 1.0 | 7k0v | Homo sapiens | TKL_BRAF_HUMAN | TKL | 5.8e-84 | 287.7 | 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 | 7K0VC | P15056 | 448 | 722 | 766.0 | VQP:801 | Type2 | Inactive | DFGout | 12.4153 | 11.3121 | BBAminus | -149.63, -160.06 | -140.65, 98.9 | -96.4, 9.54 | 307.52, 103.4 | -76.49, 147.45 | in-in | in | 8.5583 | Saltbr-in | 2.7268 | HRD-in | -65.37, -52.41 | 83.32, -6.12 | in-out-out | SNCioo | out-out | ActLoopNT-out | 18.1806 | ActLoopCT-out | nonTYR | APEdihe_aaoii | APEdist_nnno | APE10-dihe-na | 999.0, 999.0 | APE9-dihe-na | 999.0, -119.69 | APE8-dihe-out | -98.34, 2.05 | APE8-rot-in | 283.36 | APE67-dihe-in | -63.48, -24.0 | -64.49, -30.31 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-none | 999.0 | APE9-dist-out | 11.0911 | None | None | None | XRAY | 1.93 | 0.187 | 0.23 | C | 288.0 | 267.0 | 8 | 30 | 22 | 8 | [[457, 716]] | 1.0 | 7k0v | Homo sapiens | TKL_BRAF_HUMAN | TKL | 5.8e-84 | 287.7 | 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 | 7K0VD | P15056 | 449 | 722 | 766.0 | VQP:801 | Type2 | Inactive | DFGout | 12.3768 | 11.4176 | BBAminus | -149.15, -161.3 | -137.52, 97.73 | -97.03, 6.48 | 305.14, 104.21 | -74.28, 146.89 | in-in | in | 8.685 | Saltbr-in | 2.7246 | HRD-in | -66.71, -47.33 | 78.8, -19.85 | in-out-out | SNCioo | out-out | ActLoopNT-out | 18.6895 | ActLoopCT-out | nonTYR | APEdihe_aaoii | APEdist_iioo | APE10-dihe-na | -56.48, -29.5 | APE9-dihe-na | -75.21, -5.78 | APE8-dihe-out | -116.03, -0.39 | APE8-rot-in | 294.97 | APE67-dihe-in | -63.2, -20.28 | -68.0, -40.36 | APE12-dist-in | 10.9504 | APE11-dist-in | 12.5473 | APE10-dist-out | 13.5227 | APE9-dist-out | 10.7511 | None | None | None | XRAY | 1.93 | 0.187 | 0.23 | D | 288.0 | 271.0 | 3 | 30 | 27 | 3 | [[457, 716]] | 1.0 | 7k0v | Homo sapiens | TKL_BRAF_HUMAN | TKL | 5.8e-84 | 287.7 | 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 |
|---|