| 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 | 6PP9B | Q02750 | 38 | 383 | 393.0 | ANP:801,LCJ:803 | ATPlike,Type3 | Inactive | DFGin | 6.0507 | 13.8503 | BLBplus | -152.52, 171.62 | 57.53, 41.01 | -92.48, 164.33 | 45.1, 87.01 | -81.4, 67.83 | out-out | out | 15.4693 | Saltbr-out | 15.3255 | HRD-in | -69.19, -57.7 | 73.02, -1.06 | out-out-out | SNCooo | out-out | ActLoopNT-out | 8.325 | ActLoopCT-out | nonTYR | APEdihe_aaooo | APEdist_oooo | APE10-dihe-na | -150.75, 155.46 | APE9-dihe-na | -104.35, -179.3 | APE8-dihe-out | -103.86, -21.71 | APE8-rot-out | 60.0 | APE67-dihe-out | -161.36, 138.21 | -120.01, -175.99 | APE12-dist-out | 17.6293 | APE11-dist-out | 18.0984 | APE10-dist-out | 21.1907 | APE9-dist-out | 12.1845 | S218A,S222A | None | None | XRAY | 2.59 | 0.222 | 0.245 | B | 397.0 | 314.0 | 32 | 26 | 26 | 0 | [[68, 361]] | 1.0 | 6pp9 | 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 | 6PP9A | P15056 | 447 | 722 | 766.0 | ANP:801 | ATPlike | Inactive | DFGin | 5.3423 | 13.4984 | BLBplus | -130.79, 177.54 | 57.37, 43.96 | -96.57, 156.54 | 49.86, 89.0 | 63.47, -135.71 | out-out | out | 14.313 | Saltbr-out | 12.6898 | HRD-in | -66.97, -47.8 | 65.51, 3.6 | out-out-out | SNCooo | out-out | ActLoopNT-out | 9.2557 | ActLoopCT-out | nonTYR | APEdihe_aaioi | APEdist_oooo | APE10-dihe-na | -142.44, 146.23 | APE9-dihe-na | 73.26, -154.57 | APE8-dihe-in | -71.36, 154.2 | APE8-rot-out | 182.15 | APE67-dihe-in | -61.64, -19.53 | -112.25, -5.75 | APE12-dist-out | 15.2013 | APE11-dist-out | 15.9004 | APE10-dist-out | 12.6934 | APE9-dist-out | 10.139 | None | None | None | XRAY | 2.59 | 0.222 | 0.245 | A | 283.0 | 276.0 | 0 | 30 | 30 | 0 | [[457, 716]] | 1.0 | 6pp9 | 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 | 6PP9B | Q02750 | 38 | 383 | 393.0 | ANP:801,LCJ:803 | ATPlike,Type3 | Inactive | DFGin | 6.0507 | 13.8503 | BLBplus | -152.52, 171.62 | 57.53, 41.01 | -92.48, 164.33 | 45.1, 87.01 | -81.4, 67.83 | out-out | out | 15.4693 | Saltbr-out | 15.3255 | HRD-in | -69.19, -57.7 | 73.02, -1.06 | out-out-out | SNCooo | out-out | ActLoopNT-out | 8.325 | ActLoopCT-out | nonTYR | APEdihe_aaooo | APEdist_oooo | APE10-dihe-na | -150.75, 155.46 | APE9-dihe-na | -104.35, -179.3 | APE8-dihe-out | -103.86, -21.71 | APE8-rot-out | 60.0 | APE67-dihe-out | -161.36, 138.21 | -120.01, -175.99 | APE12-dist-out | 17.6293 | APE11-dist-out | 18.0984 | APE10-dist-out | 21.1907 | APE9-dist-out | 12.1845 | S218A,S222A | None | None | XRAY | 2.59 | 0.222 | 0.245 | B | 397.0 | 314.0 | 32 | 26 | 26 | 0 | [[68, 361]] | 1.0 | 6pp9 | 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 | 6PP9A | P15056 | 447 | 722 | 766.0 | ANP:801 | ATPlike | Inactive | DFGin | 5.3423 | 13.4984 | BLBplus | -130.79, 177.54 | 57.37, 43.96 | -96.57, 156.54 | 49.86, 89.0 | 63.47, -135.71 | out-out | out | 14.313 | Saltbr-out | 12.6898 | HRD-in | -66.97, -47.8 | 65.51, 3.6 | out-out-out | SNCooo | out-out | ActLoopNT-out | 9.2557 | ActLoopCT-out | nonTYR | APEdihe_aaioi | APEdist_oooo | APE10-dihe-na | -142.44, 146.23 | APE9-dihe-na | 73.26, -154.57 | APE8-dihe-in | -71.36, 154.2 | APE8-rot-out | 182.15 | APE67-dihe-in | -61.64, -19.53 | -112.25, -5.75 | APE12-dist-out | 15.2013 | APE11-dist-out | 15.9004 | APE10-dist-out | 12.6934 | APE9-dist-out | 10.139 | None | None | None | XRAY | 2.59 | 0.222 | 0.245 | A | 283.0 | 276.0 | 0 | 30 | 30 | 0 | [[457, 716]] | 1.0 | 6pp9 | 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 |
|---|