| 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 | MAP3K5 | M3K5_HUMAN | 7MU6A | Q99683 | 671 | 939 | 1374.0 | A1AWT:1001 | Type1 | Inactive | DFGin | 6.8065 | 13.8099 | BLAminus | -134.71, 172.36 | 55.8, 97.35 | -103.45, 21.85 | 298.86, 96.76 | -71.3, -26.18 | in-in | in | 8.3355 | Saltbr-in | 2.5132 | HRD-in | -80.43, -45.88 | 78.17, 0.0 | in-in-out | SNCiio | in-out | ActLoopNT-in | 3.1291 | ActLoopCT-out | nonTYR | APEdihe_aaiii | APEdist_iooi | APE10-dihe-na | -110.25, 144.39 | APE9-dihe-na | -81.83, -163.92 | APE8-dihe-in | -76.49, 135.89 | APE8-rot-in | 306.21 | APE67-dihe-in | -72.49, -10.64 | -62.48, -45.91 | APE12-dist-in | 10.5342 | APE11-dist-out | 5.1418 | APE10-dist-out | 9.751 | APE9-dist-in | 3.6979 | None | None | None | XRAY | 2.165 | 0.191 | 0.214 | A | 334.0 | 259.0 | 10 | 28 | 21 | 7 | [[678, 938]] | 1.0 | 7mu6 | STE_MAP3K5_HUMAN | STE | 1.9e-80 | 276.0 | 5.0 | 257.0 | 253.0 | 821 | 822 | 823 | 825 | 827 | 709 | 725 | 729 | 800 | 802 | 801 | 803.0 | 863 | 849 | 844 | 843 | 842 | 841 | 840 | 839 | 838 | 755 | Mitogen-activated protein kinase kinase kinase 5 |
| STE | MAP3K5 | M3K5_HUMAN | 7MU6B | Q99683 | 671 | 940 | 1374.0 | A1AWT:1001 | Type1 | None | DFGin | 6.4723 | 13.8423 | BLAminus | -137.24, 175.06 | 55.73, 97.84 | -102.69, 23.8 | 295.93, 95.1 | -68.36, -28.7 | in-in | in | 8.4763 | Saltbr-in | 2.4413 | HRD-in | -80.7, -46.25 | 77.78, 2.33 | in-in-none | SNCiin | in-none | ActLoopNT-in | 3.0289 | ActLoopCT-none | nonTYR | APEdihe_aaiii | APEdist_nnii | APE10-dihe-na | 999.0, 66.13 | APE9-dihe-na | -85.74, -166.57 | APE8-dihe-in | -87.23, 138.03 | APE8-rot-in | 306.07 | APE67-dihe-in | -71.64, -12.66 | -62.6, -45.27 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-in | 6.3168 | APE9-dist-in | 3.3563 | None | None | None | XRAY | 2.165 | 0.191 | 0.214 | B | 334.0 | 261.0 | 9 | 28 | 19 | 9 | [[678, 938]] | 1.0 | 7mu6 | STE_MAP3K5_HUMAN | STE | 1.9e-80 | 276.0 | 5.0 | 257.0 | 253.0 | 821 | 822 | 823 | 825 | 827 | 709 | 725 | 729 | 800 | 802 | 801 | 803.0 | 863 | 849 | 844 | 843 | 842 | 841 | 840 | 839 | 838 | 755 | Mitogen-activated protein kinase kinase kinase 5 |
| 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 | MAP3K5 | M3K5_HUMAN | 7MU6A | Q99683 | 671 | 939 | 1374.0 | A1AWT:1001 | Type1 | Inactive | DFGin | 6.8065 | 13.8099 | BLAminus | -134.71, 172.36 | 55.8, 97.35 | -103.45, 21.85 | 298.86, 96.76 | -71.3, -26.18 | in-in | in | 8.3355 | Saltbr-in | 2.5132 | HRD-in | -80.43, -45.88 | 78.17, 0.0 | in-in-out | SNCiio | in-out | ActLoopNT-in | 3.1291 | ActLoopCT-out | nonTYR | APEdihe_aaiii | APEdist_iooi | APE10-dihe-na | -110.25, 144.39 | APE9-dihe-na | -81.83, -163.92 | APE8-dihe-in | -76.49, 135.89 | APE8-rot-in | 306.21 | APE67-dihe-in | -72.49, -10.64 | -62.48, -45.91 | APE12-dist-in | 10.5342 | APE11-dist-out | 5.1418 | APE10-dist-out | 9.751 | APE9-dist-in | 3.6979 | None | None | None | XRAY | 2.165 | 0.191 | 0.214 | A | 334.0 | 259.0 | 10 | 28 | 21 | 7 | [[678, 938]] | 1.0 | 7mu6 | Homo sapiens | STE_MAP3K5_HUMAN | STE | 1.9e-80 | 276.0 | 5.0 | 257.0 | 253.0 | 821 | 822 | 823 | 825 | 827 | 709 | 725 | 729 | 800 | 802 | 801 | 803.0 | 863 | 849 | 844 | 843 | 842 | 841 | 840 | 839 | 838 | 755 | Mitogen-activated protein kinase kinase kinase 5 |
| STE | MAP3K5 | M3K5_HUMAN | 7MU6B | Q99683 | 671 | 940 | 1374.0 | A1AWT:1001 | Type1 | None | DFGin | 6.4723 | 13.8423 | BLAminus | -137.24, 175.06 | 55.73, 97.84 | -102.69, 23.8 | 295.93, 95.1 | -68.36, -28.7 | in-in | in | 8.4763 | Saltbr-in | 2.4413 | HRD-in | -80.7, -46.25 | 77.78, 2.33 | in-in-none | SNCiin | in-none | ActLoopNT-in | 3.0289 | ActLoopCT-none | nonTYR | APEdihe_aaiii | APEdist_nnii | APE10-dihe-na | 999.0, 66.13 | APE9-dihe-na | -85.74, -166.57 | APE8-dihe-in | -87.23, 138.03 | APE8-rot-in | 306.07 | APE67-dihe-in | -71.64, -12.66 | -62.6, -45.27 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-in | 6.3168 | APE9-dist-in | 3.3563 | None | None | None | XRAY | 2.165 | 0.191 | 0.214 | B | 334.0 | 261.0 | 9 | 28 | 19 | 9 | [[678, 938]] | 1.0 | 7mu6 | Homo sapiens | STE_MAP3K5_HUMAN | STE | 1.9e-80 | 276.0 | 5.0 | 257.0 | 253.0 | 821 | 822 | 823 | 825 | 827 | 709 | 725 | 729 | 800 | 802 | 801 | 803.0 | 863 | 849 | 844 | 843 | 842 | 841 | 840 | 839 | 838 | 755 | Mitogen-activated protein kinase kinase kinase 5 |
| 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 |
|---|