| 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 | 9AXXA | Q02750 | 41 | 382 | 393.0 | A1AHE:60401,ANP:60402 | Type1,ATPlike | Inactive | DFGin | 6.1565 | 14.4729 | BLBplus | -142.21, 167.57 | 61.94, 40.19 | -92.82, 170.58 | 38.95, 89.02 | -82.21, 74.48 | out-out | out | 15.9248 | Saltbr-out | 15.6608 | HRD-in | -77.34, -56.94 | 85.02, -11.71 | out-out-out | SNCooo | out-out | ActLoopNT-out | 9.6225 | ActLoopCT-out | nonTYR | APEdihe_aaooo | APEdist_oooo | APE10-dihe-na | -70.01, 140.02 | APE9-dihe-na | -107.63, 178.58 | APE8-dihe-out | -103.64, -13.88 | APE8-rot-out | 56.98 | APE67-dihe-out | -152.18, 145.48 | -132.34, 175.09 | APE12-dist-out | 18.633 | APE11-dist-out | 16.0857 | APE10-dist-out | 21.091 | APE9-dist-out | 12.7711 | S218A,S222A | None | None | XRAY | 2.07 | 0.215 | 0.248 | A | 310.0 | 298.0 | 0 | 26 | 26 | 0 | [[68, 361]] | 1.0 | 9axx | STE_MAP2K1_HUMAN | STE | 6.5e-98 | 333.1 | 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 |
| STE | MAP2K1 | MP2K1_HUMAN | 9AXXC | Q02750 | 37 | 378 | 393.0 | A1AHE:60401,ANP:60402 | Type1,ATPlike | Inactive | DFGin | 6.0661 | 14.2508 | BLBplus | -153.34, 165.37 | 62.85, 41.08 | -93.54, 164.6 | 44.67, 86.41 | -75.31, 71.49 | out-out | out | 15.5167 | Saltbr-out | 15.0221 | HRD-in | -80.68, -38.87 | 53.15, 7.3 | out-out-out | SNCooo | out-out | ActLoopNT-out | 9.6912 | ActLoopCT-out | nonTYR | APEdihe_aaooo | APEdist_oooo | APE10-dihe-na | -68.91, 127.09 | APE9-dihe-na | -100.27, 169.31 | APE8-dihe-out | -98.12, -23.61 | APE8-rot-out | 61.42 | APE67-dihe-out | -153.77, 146.66 | -125.41, 178.29 | APE12-dist-out | 18.4501 | APE11-dist-out | 16.1193 | APE10-dist-out | 21.5812 | APE9-dist-out | 12.7488 | S218A,S222A | None | None | XRAY | 2.07 | 0.215 | 0.248 | C | 310.0 | 297.0 | 1 | 26 | 26 | 0 | [[68, 361]] | 1.0 | 9axx | STE_MAP2K1_HUMAN | STE | 6.5e-98 | 333.1 | 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 | 9AXXB | P15056 | 449 | 721 | 766.0 | ANP:60801 | ATPlike | Inactive | DFGin | 6.2724 | 14.156 | BLAminus | -118.96, -160.68 | 44.13, 79.21 | -91.3, 29.71 | 285.28, 70.2 | -64.85, -24.03 | in-out | in | 8.9679 | Saltbr-out | 6.0423 | HRD-in | -74.42, -44.59 | 66.93, 5.21 | out-in-in | SNCoii | in-in | ActLoopNT-in | 2.911 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -142.1, 120.32 | APE9-dihe-na | 137.74, -165.97 | APE8-dihe-in | -102.01, 122.38 | APE8-rot-in | 304.65 | APE67-dihe-in | -63.13, -30.61 | -66.04, -26.1 | APE12-dist-in | 13.0987 | APE11-dist-in | 12.6277 | APE10-dist-in | 7.4721 | APE9-dist-in | 5.708 | None | None | None | XRAY | 2.07 | 0.215 | 0.248 | B | 280.0 | 261.0 | 12 | 30 | 24 | 6 | [[457, 716]] | 1.0 | 9axx | TKL_BRAF_HUMAN | TKL | 7.8e-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 |
| TKL | BRAF | BRAF_HUMAN | 9AXXD | P15056 | 449 | 720 | 766.0 | No_ligand | No_ligand | Inactive | DFGin | 6.3836 | 14.1977 | BLAminus | -129.89, -173.73 | 62.98, 88.51 | -109.58, 28.81 | 291.63, 88.61 | -59.73, -40.17 | in-in | in | 8.1758 | Saltbr-in | 2.7448 | HRD-in | -72.62, -47.14 | 70.14, -3.87 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.8476 | ActLoopCT-out | nonTYR | APEdihe_aaiii | APEdist_iooi | APE10-dihe-na | -147.43, 156.79 | APE9-dihe-na | -104.74, -133.5 | APE8-dihe-in | -87.21, 139.54 | APE8-rot-in | 302.48 | APE67-dihe-in | -63.49, -37.11 | -65.97, -35.07 | APE12-dist-in | 10.4009 | APE11-dist-out | 6.0235 | APE10-dist-out | 9.1006 | APE9-dist-in | 4.67 | None | None | None | XRAY | 2.07 | 0.215 | 0.248 | D | 280.0 | 272.0 | 0 | 30 | 30 | 0 | [[457, 716]] | 1.0 | 9axx | TKL_BRAF_HUMAN | TKL | 7.8e-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 | 9AXXA | Q02750 | 41 | 382 | 393.0 | A1AHE:60401,ANP:60402 | Type1,ATPlike | Inactive | DFGin | 6.1565 | 14.4729 | BLBplus | -142.21, 167.57 | 61.94, 40.19 | -92.82, 170.58 | 38.95, 89.02 | -82.21, 74.48 | out-out | out | 15.9248 | Saltbr-out | 15.6608 | HRD-in | -77.34, -56.94 | 85.02, -11.71 | out-out-out | SNCooo | out-out | ActLoopNT-out | 9.6225 | ActLoopCT-out | nonTYR | APEdihe_aaooo | APEdist_oooo | APE10-dihe-na | -70.01, 140.02 | APE9-dihe-na | -107.63, 178.58 | APE8-dihe-out | -103.64, -13.88 | APE8-rot-out | 56.98 | APE67-dihe-out | -152.18, 145.48 | -132.34, 175.09 | APE12-dist-out | 18.633 | APE11-dist-out | 16.0857 | APE10-dist-out | 21.091 | APE9-dist-out | 12.7711 | S218A,S222A | None | None | XRAY | 2.07 | 0.215 | 0.248 | A | 310.0 | 298.0 | 0 | 26 | 26 | 0 | [[68, 361]] | 1.0 | 9axx | Homo sapiens | STE_MAP2K1_HUMAN | STE | 6.5e-98 | 333.1 | 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 |
| STE | MAP2K1 | MP2K1_HUMAN | 9AXXC | Q02750 | 37 | 378 | 393.0 | A1AHE:60401,ANP:60402 | Type1,ATPlike | Inactive | DFGin | 6.0661 | 14.2508 | BLBplus | -153.34, 165.37 | 62.85, 41.08 | -93.54, 164.6 | 44.67, 86.41 | -75.31, 71.49 | out-out | out | 15.5167 | Saltbr-out | 15.0221 | HRD-in | -80.68, -38.87 | 53.15, 7.3 | out-out-out | SNCooo | out-out | ActLoopNT-out | 9.6912 | ActLoopCT-out | nonTYR | APEdihe_aaooo | APEdist_oooo | APE10-dihe-na | -68.91, 127.09 | APE9-dihe-na | -100.27, 169.31 | APE8-dihe-out | -98.12, -23.61 | APE8-rot-out | 61.42 | APE67-dihe-out | -153.77, 146.66 | -125.41, 178.29 | APE12-dist-out | 18.4501 | APE11-dist-out | 16.1193 | APE10-dist-out | 21.5812 | APE9-dist-out | 12.7488 | S218A,S222A | None | None | XRAY | 2.07 | 0.215 | 0.248 | C | 310.0 | 297.0 | 1 | 26 | 26 | 0 | [[68, 361]] | 1.0 | 9axx | Homo sapiens | STE_MAP2K1_HUMAN | STE | 6.5e-98 | 333.1 | 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 | 9AXXB | P15056 | 449 | 721 | 766.0 | ANP:60801 | ATPlike | Inactive | DFGin | 6.2724 | 14.156 | BLAminus | -118.96, -160.68 | 44.13, 79.21 | -91.3, 29.71 | 285.28, 70.2 | -64.85, -24.03 | in-out | in | 8.9679 | Saltbr-out | 6.0423 | HRD-in | -74.42, -44.59 | 66.93, 5.21 | out-in-in | SNCoii | in-in | ActLoopNT-in | 2.911 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -142.1, 120.32 | APE9-dihe-na | 137.74, -165.97 | APE8-dihe-in | -102.01, 122.38 | APE8-rot-in | 304.65 | APE67-dihe-in | -63.13, -30.61 | -66.04, -26.1 | APE12-dist-in | 13.0987 | APE11-dist-in | 12.6277 | APE10-dist-in | 7.4721 | APE9-dist-in | 5.708 | None | None | None | XRAY | 2.07 | 0.215 | 0.248 | B | 280.0 | 261.0 | 12 | 30 | 24 | 6 | [[457, 716]] | 1.0 | 9axx | Homo sapiens | TKL_BRAF_HUMAN | TKL | 7.8e-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 |
| TKL | BRAF | BRAF_HUMAN | 9AXXD | P15056 | 449 | 720 | 766.0 | No_ligand | No_ligand | Inactive | DFGin | 6.3836 | 14.1977 | BLAminus | -129.89, -173.73 | 62.98, 88.51 | -109.58, 28.81 | 291.63, 88.61 | -59.73, -40.17 | in-in | in | 8.1758 | Saltbr-in | 2.7448 | HRD-in | -72.62, -47.14 | 70.14, -3.87 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.8476 | ActLoopCT-out | nonTYR | APEdihe_aaiii | APEdist_iooi | APE10-dihe-na | -147.43, 156.79 | APE9-dihe-na | -104.74, -133.5 | APE8-dihe-in | -87.21, 139.54 | APE8-rot-in | 302.48 | APE67-dihe-in | -63.49, -37.11 | -65.97, -35.07 | APE12-dist-in | 10.4009 | APE11-dist-out | 6.0235 | APE10-dist-out | 9.1006 | APE9-dist-in | 4.67 | None | None | None | XRAY | 2.07 | 0.215 | 0.248 | D | 280.0 | 272.0 | 0 | 30 | 30 | 0 | [[457, 716]] | 1.0 | 9axx | Homo sapiens | TKL_BRAF_HUMAN | TKL | 7.8e-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 |
|---|