| 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 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| STE | MAP2K1 | MP2K1_HUMAN | 7M0WB | Q02750 | 42 | 383 | 393.0 | ANP:801,QOA:803 | ATPlike,Type3 | Inactive | DFGin | 6.1482 | 14.0545 | BLBplus | -157.1, -177.15 | 57.47, 39.21 | -94.37, 139.97 | 49.64, 89.26 | -60.24, 75.28 | out-out | out | 15.239 | Saltbr-out | 15.1806 | HRD-in | -60.24, -53.72 | 67.58, 4.61 | out-out-out | SNCooo | out-out | ActLoopNT-out | 8.8656 | ActLoopCT-out | nonTYR | APEdihe_aaooo | APEdist_oooo | APE10-dihe-na | -57.72, 142.94 | APE9-dihe-na | -85.2, -169.93 | APE8-dihe-out | -102.45, -22.28 | APE8-rot-out | 37.77 | APE67-dihe-out | -129.82, 144.3 | -151.67, 158.88 | APE12-dist-out | 17.5121 | APE11-dist-out | 22.6571 | APE10-dist-out | 23.4774 | APE9-dist-out | 13.5899 | S218A,S222A | None | None | XRAY | 3.09 | 0.197 | 0.233 | B | 397.0 | 310.0 | 32 | 26 | 26 | 0 | [[68, 361]] | 1.0 | 7m0w | STE_MAP2K1_HUMAN | STE | 1.1e-96 | 329.2 | 1.0 | 257.0 | 257.0 | 207 | 208 | 209 | 211 | 213 | 97 | 114 | 118 | 187 | 189 | 188 | 190.0 | 245 | 233 | 228 | 227 | 226 | 225 | 224 | 223 | 222 | 144 | Dual specificity mitogen-activated protein kinase kinase 1 |
| TKL | BRAF | BRAF_HUMAN | 7M0WA | P15056 | 448 | 721 | 766.0 | ANP:801 | ATPlike | Inactive | DFGin | 5.6996 | 13.563 | BLBplus | -128.57, -174.24 | 58.52, 36.11 | -93.32, 163.98 | 47.26, 91.72 | 57.0, -141.37 | out-out | out | 14.2729 | Saltbr-out | 13.0439 | HRD-in | -64.47, -50.11 | 78.2, -6.17 | out-out-out | SNCooo | out-out | ActLoopNT-out | 8.9804 | ActLoopCT-out | nonTYR | APEdihe_aaioi | APEdist_oooo | APE10-dihe-na | -140.16, 158.71 | APE9-dihe-na | 121.26, -178.69 | APE8-dihe-in | -87.94, 138.93 | APE8-rot-out | 43.99 | APE67-dihe-in | -65.6, -30.89 | -79.08, -13.62 | APE12-dist-out | 14.335 | APE11-dist-out | 15.3422 | APE10-dist-out | 12.1341 | APE9-dist-out | 6.6508 | None | None | None | XRAY | 3.09 | 0.197 | 0.233 | A | 283.0 | 274.0 | 0 | 30 | 30 | 0 | [[457, 716]] | 1.0 | 7m0w | TKL_BRAF_HUMAN | TKL | 8.1e-82 | 280.7 | 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 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| STE | MAP2K1 | MP2K1_HUMAN | 7M0WB | Q02750 | 42 | 383 | 393.0 | ANP:801,QOA:803 | ATPlike,Type3 | Inactive | DFGin | 6.1482 | 14.0545 | BLBplus | -157.1, -177.15 | 57.47, 39.21 | -94.37, 139.97 | 49.64, 89.26 | -60.24, 75.28 | out-out | out | 15.239 | Saltbr-out | 15.1806 | HRD-in | -60.24, -53.72 | 67.58, 4.61 | out-out-out | SNCooo | out-out | ActLoopNT-out | 8.8656 | ActLoopCT-out | nonTYR | APEdihe_aaooo | APEdist_oooo | APE10-dihe-na | -57.72, 142.94 | APE9-dihe-na | -85.2, -169.93 | APE8-dihe-out | -102.45, -22.28 | APE8-rot-out | 37.77 | APE67-dihe-out | -129.82, 144.3 | -151.67, 158.88 | APE12-dist-out | 17.5121 | APE11-dist-out | 22.6571 | APE10-dist-out | 23.4774 | APE9-dist-out | 13.5899 | S218A,S222A | None | None | XRAY | 3.09 | 0.197 | 0.233 | B | 397.0 | 310.0 | 32 | 26 | 26 | 0 | [[68, 361]] | 1.0 | 7m0w | Homo sapiens | STE_MAP2K1_HUMAN | STE | 1.1e-96 | 329.2 | 1.0 | 257.0 | 257.0 | 207 | 208 | 209 | 211 | 213 | 97 | 114 | 118 | 187 | 189 | 188 | 190.0 | 245 | 233 | 228 | 227 | 226 | 225 | 224 | 223 | 222 | 144 | Dual specificity mitogen-activated protein kinase kinase 1 |
| TKL | BRAF | BRAF_HUMAN | 7M0WA | P15056 | 448 | 721 | 766.0 | ANP:801 | ATPlike | Inactive | DFGin | 5.6996 | 13.563 | BLBplus | -128.57, -174.24 | 58.52, 36.11 | -93.32, 163.98 | 47.26, 91.72 | 57.0, -141.37 | out-out | out | 14.2729 | Saltbr-out | 13.0439 | HRD-in | -64.47, -50.11 | 78.2, -6.17 | out-out-out | SNCooo | out-out | ActLoopNT-out | 8.9804 | ActLoopCT-out | nonTYR | APEdihe_aaioi | APEdist_oooo | APE10-dihe-na | -140.16, 158.71 | APE9-dihe-na | 121.26, -178.69 | APE8-dihe-in | -87.94, 138.93 | APE8-rot-out | 43.99 | APE67-dihe-in | -65.6, -30.89 | -79.08, -13.62 | APE12-dist-out | 14.335 | APE11-dist-out | 15.3422 | APE10-dist-out | 12.1341 | APE9-dist-out | 6.6508 | None | None | None | XRAY | 3.09 | 0.197 | 0.233 | A | 283.0 | 274.0 | 0 | 30 | 30 | 0 | [[457, 716]] | 1.0 | 7m0w | Homo sapiens | TKL_BRAF_HUMAN | TKL | 8.1e-82 | 280.7 | 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 |
|---|