| 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 | 7M0VB | Q02750 | 42 | 383 | 393.0 | ANP:801,EUI:803 | ATPlike,Type3 | Inactive | DFGin | 6.0381 | 13.7379 | BLBplus | -152.98, 176.74 | 51.89, 40.05 | -97.58, 155.01 | 48.54, 94.68 | -74.32, 76.65 | out-out | out | 15.3562 | Saltbr-out | 15.2475 | HRD-in | -53.62, -41.23 | 79.48, -8.01 | out-out-out | SNCooo | out-out | ActLoopNT-out | 8.4508 | ActLoopCT-out | nonTYR | APEdihe_aaooo | APEdist_oooo | APE10-dihe-na | -59.78, 136.18 | APE9-dihe-na | -90.07, -164.06 | APE8-dihe-out | -111.55, -13.91 | APE8-rot-out | 80.18 | APE67-dihe-out | -157.27, 123.12 | -113.49, 175.2 | APE12-dist-out | 17.7535 | APE11-dist-out | 19.5873 | APE10-dist-out | 21.2162 | APE9-dist-out | 13.438 | S218A,S222A | None | None | XRAY | 3.16 | 0.188 | 0.234 | B | 397.0 | 310.0 | 32 | 26 | 26 | 0 | [[68, 361]] | 1.0 | 7m0v | 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 | 7M0VA | P15056 | 449 | 722 | 766.0 | ANP:801 | ATPlike | Inactive | DFGin | 5.7413 | 13.2905 | BLBplus | -118.84, -178.01 | 61.17, 44.22 | -99.98, 160.93 | 40.29, 99.45 | 62.33, -140.62 | out-out | out | 14.1107 | Saltbr-out | 13.1408 | HRD-in | -76.68, -47.66 | 79.51, -34.29 | out-out-out | SNCooo | out-out | ActLoopNT-out | 9.3238 | ActLoopCT-out | nonTYR | APEdihe_aaioi | APEdist_iooo | APE10-dihe-na | -140.71, 145.59 | APE9-dihe-na | 81.77, -131.39 | APE8-dihe-in | -106.29, 148.31 | APE8-rot-out | 201.4 | APE67-dihe-in | -54.29, -30.39 | -107.29, -13.89 | APE12-dist-in | 13.9087 | APE11-dist-out | 15.7766 | APE10-dist-out | 12.613 | APE9-dist-out | 10.1626 | None | None | None | XRAY | 3.16 | 0.188 | 0.234 | A | 283.0 | 274.0 | 0 | 30 | 30 | 0 | [[457, 716]] | 1.0 | 7m0v | 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 | 7M0VB | Q02750 | 42 | 383 | 393.0 | ANP:801,EUI:803 | ATPlike,Type3 | Inactive | DFGin | 6.0381 | 13.7379 | BLBplus | -152.98, 176.74 | 51.89, 40.05 | -97.58, 155.01 | 48.54, 94.68 | -74.32, 76.65 | out-out | out | 15.3562 | Saltbr-out | 15.2475 | HRD-in | -53.62, -41.23 | 79.48, -8.01 | out-out-out | SNCooo | out-out | ActLoopNT-out | 8.4508 | ActLoopCT-out | nonTYR | APEdihe_aaooo | APEdist_oooo | APE10-dihe-na | -59.78, 136.18 | APE9-dihe-na | -90.07, -164.06 | APE8-dihe-out | -111.55, -13.91 | APE8-rot-out | 80.18 | APE67-dihe-out | -157.27, 123.12 | -113.49, 175.2 | APE12-dist-out | 17.7535 | APE11-dist-out | 19.5873 | APE10-dist-out | 21.2162 | APE9-dist-out | 13.438 | S218A,S222A | None | None | XRAY | 3.16 | 0.188 | 0.234 | B | 397.0 | 310.0 | 32 | 26 | 26 | 0 | [[68, 361]] | 1.0 | 7m0v | 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 | 7M0VA | P15056 | 449 | 722 | 766.0 | ANP:801 | ATPlike | Inactive | DFGin | 5.7413 | 13.2905 | BLBplus | -118.84, -178.01 | 61.17, 44.22 | -99.98, 160.93 | 40.29, 99.45 | 62.33, -140.62 | out-out | out | 14.1107 | Saltbr-out | 13.1408 | HRD-in | -76.68, -47.66 | 79.51, -34.29 | out-out-out | SNCooo | out-out | ActLoopNT-out | 9.3238 | ActLoopCT-out | nonTYR | APEdihe_aaioi | APEdist_iooo | APE10-dihe-na | -140.71, 145.59 | APE9-dihe-na | 81.77, -131.39 | APE8-dihe-in | -106.29, 148.31 | APE8-rot-out | 201.4 | APE67-dihe-in | -54.29, -30.39 | -107.29, -13.89 | APE12-dist-in | 13.9087 | APE11-dist-out | 15.7766 | APE10-dist-out | 12.613 | APE9-dist-out | 10.1626 | None | None | None | XRAY | 3.16 | 0.188 | 0.234 | A | 283.0 | 274.0 | 0 | 30 | 30 | 0 | [[457, 716]] | 1.0 | 7m0v | 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 |
|---|