| 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 | 7M0UB | Q02750 | 43 | 385 | 393.0 | QO7:501,ANP:502 | Type3,ATPlike | Inactive | DFGin | 6.1782 | 13.8403 | BLBplus | -152.87, -177.82 | 54.02, 43.66 | -96.33, 148.45 | 42.9, 86.91 | -71.94, 82.66 | out-out | out | 15.4928 | Saltbr-out | 15.6637 | HRD-in | -60.41, -57.85 | 71.46, -3.21 | out-out-out | SNCooo | out-out | ActLoopNT-out | 9.0481 | ActLoopCT-out | nonTYR | APEdihe_aaooo | APEdist_oooo | APE10-dihe-na | -60.78, 138.09 | APE9-dihe-na | -86.76, -175.69 | APE8-dihe-out | -100.26, -15.57 | APE8-rot-out | 49.06 | APE67-dihe-out | -118.78, 147.11 | -163.65, 150.46 | APE12-dist-out | 17.2011 | APE11-dist-out | 22.3588 | APE10-dist-out | 23.5662 | APE9-dist-out | 13.6379 | S218A,S222A | None | None | XRAY | 3.09 | 0.193 | 0.23 | B | 397.0 | 311.0 | 32 | 26 | 26 | 0 | [[68, 361]] | 1.0 | 7m0u | 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 | 7M0UA | P15056 | 449 | 722 | 766.0 | ANP:801 | ATPlike | Inactive | DFGin | 5.8262 | 13.5453 | BLBplus | -114.76, -174.76 | 53.19, 33.71 | -86.73, 158.23 | 49.19, 93.22 | 61.58, -136.88 | out-out | out | 14.5076 | Saltbr-out | 13.6281 | HRD-in | -66.62, -51.93 | 79.28, -5.3 | out-out-out | SNCooo | out-out | ActLoopNT-out | 8.9683 | ActLoopCT-out | nonTYR | APEdihe_aaioi | APEdist_oooo | APE10-dihe-na | -137.94, 171.17 | APE9-dihe-na | 125.59, 173.92 | APE8-dihe-in | -78.53, 136.46 | APE8-rot-out | 49.62 | APE67-dihe-in | -63.36, -26.84 | -75.55, -22.51 | APE12-dist-out | 14.5901 | APE11-dist-out | 14.4763 | APE10-dist-out | 12.1021 | APE9-dist-out | 6.3314 | None | None | None | XRAY | 3.09 | 0.193 | 0.23 | A | 283.0 | 274.0 | 0 | 30 | 30 | 0 | [[457, 716]] | 1.0 | 7m0u | 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 | 7M0UB | Q02750 | 43 | 385 | 393.0 | QO7:501,ANP:502 | Type3,ATPlike | Inactive | DFGin | 6.1782 | 13.8403 | BLBplus | -152.87, -177.82 | 54.02, 43.66 | -96.33, 148.45 | 42.9, 86.91 | -71.94, 82.66 | out-out | out | 15.4928 | Saltbr-out | 15.6637 | HRD-in | -60.41, -57.85 | 71.46, -3.21 | out-out-out | SNCooo | out-out | ActLoopNT-out | 9.0481 | ActLoopCT-out | nonTYR | APEdihe_aaooo | APEdist_oooo | APE10-dihe-na | -60.78, 138.09 | APE9-dihe-na | -86.76, -175.69 | APE8-dihe-out | -100.26, -15.57 | APE8-rot-out | 49.06 | APE67-dihe-out | -118.78, 147.11 | -163.65, 150.46 | APE12-dist-out | 17.2011 | APE11-dist-out | 22.3588 | APE10-dist-out | 23.5662 | APE9-dist-out | 13.6379 | S218A,S222A | None | None | XRAY | 3.09 | 0.193 | 0.23 | B | 397.0 | 311.0 | 32 | 26 | 26 | 0 | [[68, 361]] | 1.0 | 7m0u | 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 | 7M0UA | P15056 | 449 | 722 | 766.0 | ANP:801 | ATPlike | Inactive | DFGin | 5.8262 | 13.5453 | BLBplus | -114.76, -174.76 | 53.19, 33.71 | -86.73, 158.23 | 49.19, 93.22 | 61.58, -136.88 | out-out | out | 14.5076 | Saltbr-out | 13.6281 | HRD-in | -66.62, -51.93 | 79.28, -5.3 | out-out-out | SNCooo | out-out | ActLoopNT-out | 8.9683 | ActLoopCT-out | nonTYR | APEdihe_aaioi | APEdist_oooo | APE10-dihe-na | -137.94, 171.17 | APE9-dihe-na | 125.59, 173.92 | APE8-dihe-in | -78.53, 136.46 | APE8-rot-out | 49.62 | APE67-dihe-in | -63.36, -26.84 | -75.55, -22.51 | APE12-dist-out | 14.5901 | APE11-dist-out | 14.4763 | APE10-dist-out | 12.1021 | APE9-dist-out | 6.3314 | None | None | None | XRAY | 3.09 | 0.193 | 0.23 | A | 283.0 | 274.0 | 0 | 30 | 30 | 0 | [[457, 716]] | 1.0 | 7m0u | 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 |
|---|