| 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 | 9AXHA | Q02750 | 39 | 381 | 393.0 | A1AHE:60401,ANP:60402 | Type1,ATPlike | Inactive | DFGin | 6.113 | 14.2053 | BLBplus | -138.52, 176.84 | 56.32, 45.26 | -98.43, 166.79 | 48.45, 76.71 | -79.29, 73.17 | out-out | out | 15.3891 | Saltbr-out | 15.4608 | HRD-in | -79.27, -55.22 | 75.38, 2.3 | out-out-out | SNCooo | out-out | ActLoopNT-out | 9.3908 | ActLoopCT-out | nonTYR | APEdihe_aaooo | APEdist_oooo | APE10-dihe-na | -141.27, 126.74 | APE9-dihe-na | -91.23, -150.48 | APE8-dihe-out | -108.84, -16.83 | APE8-rot-out | 178.7 | APE67-dihe-out | -130.79, 128.8 | -115.86, 151.78 | APE12-dist-out | 17.4166 | APE11-dist-out | 17.6237 | APE10-dist-out | 20.8985 | APE9-dist-out | 13.1543 | None | None | None | XRAY | 2.81 | 0.206 | 0.253 | A | 310.0 | 299.0 | 0 | 26 | 26 | 0 | [[68, 361]] | 1.0 | 9axh | STE_MAP2K1_HUMAN | STE | 1.5e-98 | 335.3 | 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 | 9AXHB | Q02750 | 38 | 381 | 393.0 | A1AHE:60401,ANP:60402 | Type1,ATPlike | Inactive | DFGin | 6.0283 | 13.959 | BLBplus | -143.4, 172.79 | 59.61, 49.11 | -104.03, 163.1 | 47.48, 79.51 | -74.37, 70.81 | out-out | out | 15.4154 | Saltbr-out | 14.8168 | HRD-in | -76.49, -58.47 | 81.39, -4.23 | out-out-out | SNCooo | out-out | ActLoopNT-out | 9.3218 | ActLoopCT-out | nonTYR | APEdihe_aaooo | APEdist_oooo | APE10-dihe-na | -140.95, 129.53 | APE9-dihe-na | -95.7, -172.17 | APE8-dihe-out | -83.87, -23.26 | APE8-rot-out | 67.32 | APE67-dihe-out | -134.03, 129.22 | -119.03, 156.34 | APE12-dist-out | 17.3071 | APE11-dist-out | 17.5745 | APE10-dist-out | 20.8998 | APE9-dist-out | 12.718 | None | None | None | XRAY | 2.81 | 0.206 | 0.253 | B | 310.0 | 300.0 | 0 | 26 | 26 | 0 | [[68, 361]] | 1.0 | 9axh | STE_MAP2K1_HUMAN | STE | 1.5e-98 | 335.3 | 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 | KSR1 | KSR1_HUMAN | 9AXHC | Q8IVT5 | 614 | 881 | 923.0 | ANP:60901 | ATPlike | Pseudo | DFGin | 5.2299 | 13.2395 | BLBplus | -124.42, 164.81 | 64.66, 43.46 | -90.48, 143.73 | 53.91, 91.43 | 61.22, 55.23 | out-none | out | 14.31 | Saltbr-none | 999.0 | HRD-in | -67.1, -51.8 | 77.02, -11.89 | none-out-out | SNCnoo | out-out | ActLoopNT-out | 7.6573 | ActLoopCT-out | nonTYR | APEdihe_aaoai | APEdist_oooo | APE10-dihe-na | -64.2, -39.05 | APE9-dihe-na | -59.17, -48.89 | APE8-dihe-out | -66.09, -38.64 | APE8-rot-na | 184.07 | APE67-dihe-in | -61.76, -22.42 | -60.74, -36.73 | APE12-dist-out | 16.8898 | APE11-dist-out | 15.9594 | APE10-dist-out | 20.4992 | APE9-dist-out | 12.2193 | None | None | None | XRAY | 2.81 | 0.206 | 0.253 | C | 283.0 | 259.0 | 10 | 33 | 26 | 7 | [[613, 879]] | 1.0 | 9axh | TKL_KSR1_HUMAN | TKL | 2.1e-68 | 236.7 | 2.0 | 267.0 | 266.0 | 749 | 750 | 751 | 753 | 755 | 639 | 657 | 661 | 730 | 732 | 731 | 733.0 | 803 | 782 | 777 | 776 | 775 | 774 | 773 | 772 | 771 | 687 | Kinase suppressor of Ras 1 |
| TKL | KSR1 | KSR1_HUMAN | 9AXHD | Q8IVT5 | 613 | 881 | 923.0 | ANP:60901 | ATPlike | Pseudo | DFGin | 5.2463 | 13.2292 | BLBplus | -126.56, 169.35 | 63.03, 47.69 | -96.52, 141.09 | 54.28, 88.59 | 76.52, 29.36 | out-none | out | 14.4881 | Saltbr-none | 999.0 | HRD-in | -67.9, -47.78 | 73.32, -2.62 | none-none-out | SNCnno | none-out | ActLoopNT-none | 999.0 | ActLoopCT-out | nonTYR | APEdihe_aaoai | APEdist_oooo | APE10-dihe-na | -60.7, -40.23 | APE9-dihe-na | -60.83, -42.14 | APE8-dihe-out | -70.49, -38.33 | APE8-rot-na | 183.99 | APE67-dihe-in | -64.38, -16.08 | -60.51, -36.42 | APE12-dist-out | 17.0875 | APE11-dist-out | 16.2284 | APE10-dist-out | 20.7005 | APE9-dist-out | 12.5971 | None | None | None | XRAY | 2.81 | 0.206 | 0.253 | D | 283.0 | 249.0 | 20 | 33 | 20 | 13 | [[613, 879]] | 1.0 | 9axh | TKL_KSR1_HUMAN | TKL | 2.1e-68 | 236.7 | 2.0 | 267.0 | 266.0 | 749 | 750 | 751 | 753 | 755 | 639 | 657 | 661 | 730 | 732 | 731 | 733.0 | 803 | 782 | 777 | 776 | 775 | 774 | 773 | 772 | 771 | 687 | Kinase suppressor of Ras 1 |
| 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 | 9AXHA | Q02750 | 39 | 381 | 393.0 | A1AHE:60401,ANP:60402 | Type1,ATPlike | Inactive | DFGin | 6.113 | 14.2053 | BLBplus | -138.52, 176.84 | 56.32, 45.26 | -98.43, 166.79 | 48.45, 76.71 | -79.29, 73.17 | out-out | out | 15.3891 | Saltbr-out | 15.4608 | HRD-in | -79.27, -55.22 | 75.38, 2.3 | out-out-out | SNCooo | out-out | ActLoopNT-out | 9.3908 | ActLoopCT-out | nonTYR | APEdihe_aaooo | APEdist_oooo | APE10-dihe-na | -141.27, 126.74 | APE9-dihe-na | -91.23, -150.48 | APE8-dihe-out | -108.84, -16.83 | APE8-rot-out | 178.7 | APE67-dihe-out | -130.79, 128.8 | -115.86, 151.78 | APE12-dist-out | 17.4166 | APE11-dist-out | 17.6237 | APE10-dist-out | 20.8985 | APE9-dist-out | 13.1543 | None | None | None | XRAY | 2.81 | 0.206 | 0.253 | A | 310.0 | 299.0 | 0 | 26 | 26 | 0 | [[68, 361]] | 1.0 | 9axh | Homo sapiens | STE_MAP2K1_HUMAN | STE | 1.5e-98 | 335.3 | 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 | 9AXHB | Q02750 | 38 | 381 | 393.0 | A1AHE:60401,ANP:60402 | Type1,ATPlike | Inactive | DFGin | 6.0283 | 13.959 | BLBplus | -143.4, 172.79 | 59.61, 49.11 | -104.03, 163.1 | 47.48, 79.51 | -74.37, 70.81 | out-out | out | 15.4154 | Saltbr-out | 14.8168 | HRD-in | -76.49, -58.47 | 81.39, -4.23 | out-out-out | SNCooo | out-out | ActLoopNT-out | 9.3218 | ActLoopCT-out | nonTYR | APEdihe_aaooo | APEdist_oooo | APE10-dihe-na | -140.95, 129.53 | APE9-dihe-na | -95.7, -172.17 | APE8-dihe-out | -83.87, -23.26 | APE8-rot-out | 67.32 | APE67-dihe-out | -134.03, 129.22 | -119.03, 156.34 | APE12-dist-out | 17.3071 | APE11-dist-out | 17.5745 | APE10-dist-out | 20.8998 | APE9-dist-out | 12.718 | None | None | None | XRAY | 2.81 | 0.206 | 0.253 | B | 310.0 | 300.0 | 0 | 26 | 26 | 0 | [[68, 361]] | 1.0 | 9axh | Homo sapiens | STE_MAP2K1_HUMAN | STE | 1.5e-98 | 335.3 | 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 | KSR1 | KSR1_HUMAN | 9AXHC | Q8IVT5 | 614 | 881 | 923.0 | ANP:60901 | ATPlike | Pseudo | DFGin | 5.2299 | 13.2395 | BLBplus | -124.42, 164.81 | 64.66, 43.46 | -90.48, 143.73 | 53.91, 91.43 | 61.22, 55.23 | out-none | out | 14.31 | Saltbr-none | 999.0 | HRD-in | -67.1, -51.8 | 77.02, -11.89 | none-out-out | SNCnoo | out-out | ActLoopNT-out | 7.6573 | ActLoopCT-out | nonTYR | APEdihe_aaoai | APEdist_oooo | APE10-dihe-na | -64.2, -39.05 | APE9-dihe-na | -59.17, -48.89 | APE8-dihe-out | -66.09, -38.64 | APE8-rot-na | 184.07 | APE67-dihe-in | -61.76, -22.42 | -60.74, -36.73 | APE12-dist-out | 16.8898 | APE11-dist-out | 15.9594 | APE10-dist-out | 20.4992 | APE9-dist-out | 12.2193 | None | None | None | XRAY | 2.81 | 0.206 | 0.253 | C | 283.0 | 259.0 | 10 | 33 | 26 | 7 | [[613, 879]] | 1.0 | 9axh | Homo sapiens | TKL_KSR1_HUMAN | TKL | 2.1e-68 | 236.7 | 2.0 | 267.0 | 266.0 | 749 | 750 | 751 | 753 | 755 | 639 | 657 | 661 | 730 | 732 | 731 | 733.0 | 803 | 782 | 777 | 776 | 775 | 774 | 773 | 772 | 771 | 687 | Kinase suppressor of Ras 1 |
| TKL | KSR1 | KSR1_HUMAN | 9AXHD | Q8IVT5 | 613 | 881 | 923.0 | ANP:60901 | ATPlike | Pseudo | DFGin | 5.2463 | 13.2292 | BLBplus | -126.56, 169.35 | 63.03, 47.69 | -96.52, 141.09 | 54.28, 88.59 | 76.52, 29.36 | out-none | out | 14.4881 | Saltbr-none | 999.0 | HRD-in | -67.9, -47.78 | 73.32, -2.62 | none-none-out | SNCnno | none-out | ActLoopNT-none | 999.0 | ActLoopCT-out | nonTYR | APEdihe_aaoai | APEdist_oooo | APE10-dihe-na | -60.7, -40.23 | APE9-dihe-na | -60.83, -42.14 | APE8-dihe-out | -70.49, -38.33 | APE8-rot-na | 183.99 | APE67-dihe-in | -64.38, -16.08 | -60.51, -36.42 | APE12-dist-out | 17.0875 | APE11-dist-out | 16.2284 | APE10-dist-out | 20.7005 | APE9-dist-out | 12.5971 | None | None | None | XRAY | 2.81 | 0.206 | 0.253 | D | 283.0 | 249.0 | 20 | 33 | 20 | 13 | [[613, 879]] | 1.0 | 9axh | Homo sapiens | TKL_KSR1_HUMAN | TKL | 2.1e-68 | 236.7 | 2.0 | 267.0 | 266.0 | 749 | 750 | 751 | 753 | 755 | 639 | 657 | 661 | 730 | 732 | 731 | 733.0 | 803 | 782 | 777 | 776 | 775 | 774 | 773 | 772 | 771 | 687 | Kinase suppressor of Ras 1 |
| 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 |
|---|