| 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 | 7M0YB | Q02750 | 43 | 382 | 393.0 | ANP:401,QOM:404 | ATPlike,Type3 | Inactive | DFGin | 5.9314 | 13.9674 | BLBplus | -158.94, 162.56 | 56.25, 36.06 | -89.69, 147.0 | 54.27, 82.92 | -67.13, 108.1 | out-out | out | 15.4927 | Saltbr-out | 15.9617 | HRD-in | -58.74, -61.39 | 74.04, 6.51 | out-out-out | SNCooo | out-out | ActLoopNT-out | 9.4018 | ActLoopCT-out | nonTYR | APEdihe_aaooo | APEdist_oooo | APE10-dihe-na | -63.76, 140.76 | APE9-dihe-na | -82.11, -165.89 | APE8-dihe-out | -109.48, -23.44 | APE8-rot-out | 48.75 | APE67-dihe-out | -133.69, 134.38 | -151.5, 158.4 | APE12-dist-out | 17.3805 | APE11-dist-out | 22.4528 | APE10-dist-out | 23.379 | APE9-dist-out | 13.66 | S218A,S222A | None | None | XRAY | 3.45 | 0.196 | 0.218 | B | 397.0 | 308.0 | 32 | 26 | 26 | 0 | [[68, 361]] | 1.0 | 7m0y | 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 | 7M0YA | P15056 | 447 | 721 | 766.0 | ANP:801 | ATPlike | Inactive | DFGin | 5.9246 | 13.72 | BLBplus | -130.12, 178.08 | 53.67, 39.87 | -94.09, 143.26 | 51.07, 86.66 | 77.46, -140.33 | out-out | out | 14.4541 | Saltbr-out | 12.4204 | HRD-in | -66.6, -53.86 | 81.89, -14.1 | out-out-out | SNCooo | out-out | ActLoopNT-out | 8.9677 | ActLoopCT-out | nonTYR | APEdihe_aaioi | APEdist_oooo | APE10-dihe-na | -138.96, 162.77 | APE9-dihe-na | 110.62, -175.34 | APE8-dihe-in | -77.87, 138.5 | APE8-rot-out | 52.44 | APE67-dihe-in | -64.93, -32.89 | -83.52, -17.07 | APE12-dist-out | 14.2255 | APE11-dist-out | 15.2702 | APE10-dist-out | 12.0065 | APE9-dist-out | 6.7809 | None | None | None | XRAY | 3.45 | 0.196 | 0.218 | A | 283.0 | 275.0 | 0 | 30 | 30 | 0 | [[457, 716]] | 1.0 | 7m0y | 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 | 7M0YB | Q02750 | 43 | 382 | 393.0 | ANP:401,QOM:404 | ATPlike,Type3 | Inactive | DFGin | 5.9314 | 13.9674 | BLBplus | -158.94, 162.56 | 56.25, 36.06 | -89.69, 147.0 | 54.27, 82.92 | -67.13, 108.1 | out-out | out | 15.4927 | Saltbr-out | 15.9617 | HRD-in | -58.74, -61.39 | 74.04, 6.51 | out-out-out | SNCooo | out-out | ActLoopNT-out | 9.4018 | ActLoopCT-out | nonTYR | APEdihe_aaooo | APEdist_oooo | APE10-dihe-na | -63.76, 140.76 | APE9-dihe-na | -82.11, -165.89 | APE8-dihe-out | -109.48, -23.44 | APE8-rot-out | 48.75 | APE67-dihe-out | -133.69, 134.38 | -151.5, 158.4 | APE12-dist-out | 17.3805 | APE11-dist-out | 22.4528 | APE10-dist-out | 23.379 | APE9-dist-out | 13.66 | S218A,S222A | None | None | XRAY | 3.45 | 0.196 | 0.218 | B | 397.0 | 308.0 | 32 | 26 | 26 | 0 | [[68, 361]] | 1.0 | 7m0y | 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 | 7M0YA | P15056 | 447 | 721 | 766.0 | ANP:801 | ATPlike | Inactive | DFGin | 5.9246 | 13.72 | BLBplus | -130.12, 178.08 | 53.67, 39.87 | -94.09, 143.26 | 51.07, 86.66 | 77.46, -140.33 | out-out | out | 14.4541 | Saltbr-out | 12.4204 | HRD-in | -66.6, -53.86 | 81.89, -14.1 | out-out-out | SNCooo | out-out | ActLoopNT-out | 8.9677 | ActLoopCT-out | nonTYR | APEdihe_aaioi | APEdist_oooo | APE10-dihe-na | -138.96, 162.77 | APE9-dihe-na | 110.62, -175.34 | APE8-dihe-in | -77.87, 138.5 | APE8-rot-out | 52.44 | APE67-dihe-in | -64.93, -32.89 | -83.52, -17.07 | APE12-dist-out | 14.2255 | APE11-dist-out | 15.2702 | APE10-dist-out | 12.0065 | APE9-dist-out | 6.7809 | None | None | None | XRAY | 3.45 | 0.196 | 0.218 | A | 283.0 | 275.0 | 0 | 30 | 30 | 0 | [[457, 716]] | 1.0 | 7m0y | 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 |
|---|