| 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 | 7MFDB | Q02750 | 52 | 383 | 393.0 | CHU:401 | Type3 | Inactive | DFGin | 5.404 | 15.0019 | BLBplus | -158.62, 167.12 | 60.92, 63.61 | -97.12, -175.46 | 63.42, 90.2 | -85.78, 95.16 | out-out | out | 16.3227 | Saltbr-out | 15.7256 | HRD-in | -63.97, -52.79 | 67.43, -4.72 | out-out-out | SNCooo | out-out | ActLoopNT-out | 9.6757 | ActLoopCT-out | nonTYR | APEdihe_aaooo | APEdist_oooo | APE10-dihe-na | -74.44, -63.74 | APE9-dihe-na | 63.29, 177.26 | APE8-dihe-out | -134.0, -13.26 | APE8-rot-out | 186.3 | APE67-dihe-out | -128.3, 117.83 | -113.33, 134.88 | APE12-dist-out | 15.8757 | APE11-dist-out | 14.2111 | APE10-dist-out | 20.3493 | APE9-dist-out | 12.7512 | None | None | None | EM | 3.66 | 999.0 | 999.0 | B | 393.0 | 293.0 | 39 | 26 | 26 | 0 | [[68, 361]] | 1.0 | 7mfd | STE_MAP2K1_HUMAN | STE | 2.4e-97 | 331.4 | 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 | 7MFDA | P15056 | 156 | 738 | 766.0 | No_ligand | No_ligand | Inactive | DFGin | 6.1335 | 14.0284 | BLBplus | -147.17, -167.77 | 58.95, 63.63 | -141.3, 173.3 | 63.34, 90.1 | 84.7, -138.28 | out-out | out | 13.4444 | Saltbr-out | 14.9642 | HRD-in | -65.44, -45.07 | 53.09, 12.91 | out-out-out | SNCooo | out-out | ActLoopNT-out | 10.1255 | ActLoopCT-out | nonTYR | APEdihe_aaooi | APEdist_iooo | APE10-dihe-na | -115.53, 118.71 | APE9-dihe-na | 124.14, -152.32 | APE8-dihe-out | -80.3, -174.47 | APE8-rot-out | 175.42 | APE67-dihe-in | -88.54, -38.49 | -131.9, 1.65 | APE12-dist-in | 12.524 | APE11-dist-out | 15.2931 | APE10-dist-out | 11.9411 | APE9-dist-out | 9.0062 | None | SEP365,SEP729 | SEP365,SEP729 | EM | 3.66 | 999.0 | 999.0 | A | 766.0 | 410.0 | 0 | 30 | 30 | 0 | [[457, 716]] | 1.0 | 7mfd | TKL_BRAF_HUMAN | TKL | 1.3e-80 | 277.1 | 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 | 7MFDB | Q02750 | 52 | 383 | 393.0 | CHU:401 | Type3 | Inactive | DFGin | 5.404 | 15.0019 | BLBplus | -158.62, 167.12 | 60.92, 63.61 | -97.12, -175.46 | 63.42, 90.2 | -85.78, 95.16 | out-out | out | 16.3227 | Saltbr-out | 15.7256 | HRD-in | -63.97, -52.79 | 67.43, -4.72 | out-out-out | SNCooo | out-out | ActLoopNT-out | 9.6757 | ActLoopCT-out | nonTYR | APEdihe_aaooo | APEdist_oooo | APE10-dihe-na | -74.44, -63.74 | APE9-dihe-na | 63.29, 177.26 | APE8-dihe-out | -134.0, -13.26 | APE8-rot-out | 186.3 | APE67-dihe-out | -128.3, 117.83 | -113.33, 134.88 | APE12-dist-out | 15.8757 | APE11-dist-out | 14.2111 | APE10-dist-out | 20.3493 | APE9-dist-out | 12.7512 | None | None | None | EM | 3.66 | 999.0 | 999.0 | B | 393.0 | 293.0 | 39 | 26 | 26 | 0 | [[68, 361]] | 1.0 | 7mfd | Homo sapiens | STE_MAP2K1_HUMAN | STE | 2.4e-97 | 331.4 | 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 | 7MFDA | P15056 | 156 | 738 | 766.0 | No_ligand | No_ligand | Inactive | DFGin | 6.1335 | 14.0284 | BLBplus | -147.17, -167.77 | 58.95, 63.63 | -141.3, 173.3 | 63.34, 90.1 | 84.7, -138.28 | out-out | out | 13.4444 | Saltbr-out | 14.9642 | HRD-in | -65.44, -45.07 | 53.09, 12.91 | out-out-out | SNCooo | out-out | ActLoopNT-out | 10.1255 | ActLoopCT-out | nonTYR | APEdihe_aaooi | APEdist_iooo | APE10-dihe-na | -115.53, 118.71 | APE9-dihe-na | 124.14, -152.32 | APE8-dihe-out | -80.3, -174.47 | APE8-rot-out | 175.42 | APE67-dihe-in | -88.54, -38.49 | -131.9, 1.65 | APE12-dist-in | 12.524 | APE11-dist-out | 15.2931 | APE10-dist-out | 11.9411 | APE9-dist-out | 9.0062 | None | SEP365,SEP729 | SEP365,SEP729 | EM | 3.66 | 999.0 | 999.0 | A | 766.0 | 410.0 | 0 | 30 | 30 | 0 | [[457, 716]] | 1.0 | 7mfd | Homo sapiens | TKL_BRAF_HUMAN | TKL | 1.3e-80 | 277.1 | 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 |
|---|