| 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 | 9ECUB | Q02750 | 43 | 383 | 393.0 | A1BIS:401,ANP:402 | Type3,ATPlike | Inactive | DFGin | 5.9391 | 13.7784 | BLBplus | -142.06, 162.17 | 53.85, 47.21 | -95.43, 152.31 | 51.94, 84.92 | -79.97, 96.68 | out-out | out | 15.5116 | Saltbr-out | 16.1296 | HRD-in | -66.75, -57.05 | 86.44, -9.92 | out-out-out | SNCooo | out-out | ActLoopNT-out | 9.377 | ActLoopCT-out | nonTYR | APEdihe_aaoio | APEdist_oooo | APE10-dihe-na | -121.25, 157.88 | APE9-dihe-na | -135.0, 168.26 | APE8-dihe-out | -68.75, -42.35 | APE8-rot-in | 291.8 | APE67-dihe-out | -146.65, 140.6 | -150.67, 174.43 | APE12-dist-out | 21.121 | APE11-dist-out | 17.8937 | APE10-dist-out | 23.1346 | APE9-dist-out | 13.6562 | None | None | None | XRAY | 3.46 | 0.202 | 0.237 | B | 393.0 | 309.0 | 32 | 26 | 26 | 0 | [[68, 361]] | 1.0 | 9ecu | 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 | 9ECUA | P15056 | 447 | 722 | 766.0 | ANP:801 | ATPlike | Inactive | DFGin | 5.3951 | 13.5556 | BLBplus | -125.65, 169.46 | 60.46, 40.01 | -87.45, 154.95 | 47.27, 91.45 | 64.75, -132.56 | out-out | out | 13.9748 | Saltbr-out | 13.7365 | HRD-in | -64.53, -58.29 | 87.19, -19.63 | out-out-out | SNCooo | out-out | ActLoopNT-out | 9.2329 | ActLoopCT-out | nonTYR | APEdihe_aaiii | APEdist_oooo | APE10-dihe-na | -128.75, 123.72 | APE9-dihe-na | 163.56, -169.21 | APE8-dihe-in | -104.16, 118.8 | APE8-rot-in | 298.64 | APE67-dihe-in | -60.82, -35.98 | -59.26, -34.28 | APE12-dist-out | 14.6908 | APE11-dist-out | 15.132 | APE10-dist-out | 11.51 | APE9-dist-out | 6.3102 | None | None | None | XRAY | 3.46 | 0.202 | 0.237 | A | 284.0 | 276.0 | 0 | 30 | 30 | 0 | [[457, 716]] | 1.0 | 9ecu | TKL_BRAF_HUMAN | TKL | 8.2e-82 | 280.6 | 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 | 9ECUB | Q02750 | 43 | 383 | 393.0 | A1BIS:401,ANP:402 | Type3,ATPlike | Inactive | DFGin | 5.9391 | 13.7784 | BLBplus | -142.06, 162.17 | 53.85, 47.21 | -95.43, 152.31 | 51.94, 84.92 | -79.97, 96.68 | out-out | out | 15.5116 | Saltbr-out | 16.1296 | HRD-in | -66.75, -57.05 | 86.44, -9.92 | out-out-out | SNCooo | out-out | ActLoopNT-out | 9.377 | ActLoopCT-out | nonTYR | APEdihe_aaoio | APEdist_oooo | APE10-dihe-na | -121.25, 157.88 | APE9-dihe-na | -135.0, 168.26 | APE8-dihe-out | -68.75, -42.35 | APE8-rot-in | 291.8 | APE67-dihe-out | -146.65, 140.6 | -150.67, 174.43 | APE12-dist-out | 21.121 | APE11-dist-out | 17.8937 | APE10-dist-out | 23.1346 | APE9-dist-out | 13.6562 | None | None | None | XRAY | 3.46 | 0.202 | 0.237 | B | 393.0 | 309.0 | 32 | 26 | 26 | 0 | [[68, 361]] | 1.0 | 9ecu | 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 | 9ECUA | P15056 | 447 | 722 | 766.0 | ANP:801 | ATPlike | Inactive | DFGin | 5.3951 | 13.5556 | BLBplus | -125.65, 169.46 | 60.46, 40.01 | -87.45, 154.95 | 47.27, 91.45 | 64.75, -132.56 | out-out | out | 13.9748 | Saltbr-out | 13.7365 | HRD-in | -64.53, -58.29 | 87.19, -19.63 | out-out-out | SNCooo | out-out | ActLoopNT-out | 9.2329 | ActLoopCT-out | nonTYR | APEdihe_aaiii | APEdist_oooo | APE10-dihe-na | -128.75, 123.72 | APE9-dihe-na | 163.56, -169.21 | APE8-dihe-in | -104.16, 118.8 | APE8-rot-in | 298.64 | APE67-dihe-in | -60.82, -35.98 | -59.26, -34.28 | APE12-dist-out | 14.6908 | APE11-dist-out | 15.132 | APE10-dist-out | 11.51 | APE9-dist-out | 6.3102 | None | None | None | XRAY | 3.46 | 0.202 | 0.237 | A | 284.0 | 276.0 | 0 | 30 | 30 | 0 | [[457, 716]] | 1.0 | 9ecu | Homo sapiens | TKL_BRAF_HUMAN | TKL | 8.2e-82 | 280.6 | 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 |
|---|