| 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 | 2CLQA | Q99683 | 670 | 940 | 1374.0 | STU:1941 | Type1 | Inactive | DFGinter | 5.9176 | 8.4686 | BABtrans | -91.39, 129.8 | -141.56, 7.65 | -79.81, 110.16 | 226.87, 94.37 | 134.88, -46.11 | out-out | out | 10.1274 | Saltbr-out | 4.7959 | HRD-in | -81.27, -49.85 | 78.55, 0.8 | out-in-out | SNCoio | in-out | ActLoopNT-in | 3.0253 | ActLoopCT-out | nonTYR | APEdihe_aaiii | APEdist_iooi | APE10-dihe-na | -136.64, 134.41 | APE9-dihe-na | -79.2, -159.26 | APE8-dihe-in | -79.76, 137.19 | APE8-rot-in | 323.06 | APE67-dihe-in | -73.67, -16.9 | -62.96, -40.27 | APE12-dist-in | 11.6102 | APE11-dist-out | 6.2233 | APE10-dist-out | 10.0395 | APE9-dist-in | 3.702 | None | None | None | XRAY | 2.3 | 0.204 | 0.257 | A | 295.0 | 263.0 | 8 | 28 | 23 | 5 | [[678, 938]] | 1.0 | 2clq | STE_MAP3K5_HUMAN | STE | 5.9e-81 | 277.6 | 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 | 2CLQB | Q99683 | 670 | 940 | 1374.0 | STU:1941 | Type1 | Inactive | DFGinter | 6.5637 | 8.0205 | BABtrans | -97.55, 126.7 | -140.68, 10.18 | -79.54, 109.54 | 215.05, 109.45 | 130.73, -46.4 | in-none | in | 9.9798 | Saltbr-none | 999.0 | HRD-in | -83.48, -49.36 | 79.39, -1.77 | none-in-out | SNCnio | in-out | ActLoopNT-in | 3.0007 | ActLoopCT-out | nonTYR | APEdihe_aaiii | APEdist_nooi | APE10-dihe-na | -136.24, 136.94 | APE9-dihe-na | -82.54, -165.1 | APE8-dihe-in | -71.26, 138.19 | APE8-rot-in | 313.5 | APE67-dihe-in | -70.89, -23.23 | -61.89, -43.74 | APE12-dist-none | 999.0 | APE11-dist-out | 6.2673 | APE10-dist-out | 10.0131 | APE9-dist-in | 3.7494 | None | None | None | XRAY | 2.3 | 0.204 | 0.257 | B | 295.0 | 259.0 | 12 | 28 | 20 | 8 | [[678, 938]] | 1.0 | 2clq | STE_MAP3K5_HUMAN | STE | 5.9e-81 | 277.6 | 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 | 2CLQA | Q99683 | 670 | 940 | 1374.0 | STU:1941 | Type1 | Inactive | DFGinter | 5.9176 | 8.4686 | BABtrans | -91.39, 129.8 | -141.56, 7.65 | -79.81, 110.16 | 226.87, 94.37 | 134.88, -46.11 | out-out | out | 10.1274 | Saltbr-out | 4.7959 | HRD-in | -81.27, -49.85 | 78.55, 0.8 | out-in-out | SNCoio | in-out | ActLoopNT-in | 3.0253 | ActLoopCT-out | nonTYR | APEdihe_aaiii | APEdist_iooi | APE10-dihe-na | -136.64, 134.41 | APE9-dihe-na | -79.2, -159.26 | APE8-dihe-in | -79.76, 137.19 | APE8-rot-in | 323.06 | APE67-dihe-in | -73.67, -16.9 | -62.96, -40.27 | APE12-dist-in | 11.6102 | APE11-dist-out | 6.2233 | APE10-dist-out | 10.0395 | APE9-dist-in | 3.702 | None | None | None | XRAY | 2.3 | 0.204 | 0.257 | A | 295.0 | 263.0 | 8 | 28 | 23 | 5 | [[678, 938]] | 1.0 | 2clq | Homo sapiens | STE_MAP3K5_HUMAN | STE | 5.9e-81 | 277.6 | 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 | 2CLQB | Q99683 | 670 | 940 | 1374.0 | STU:1941 | Type1 | Inactive | DFGinter | 6.5637 | 8.0205 | BABtrans | -97.55, 126.7 | -140.68, 10.18 | -79.54, 109.54 | 215.05, 109.45 | 130.73, -46.4 | in-none | in | 9.9798 | Saltbr-none | 999.0 | HRD-in | -83.48, -49.36 | 79.39, -1.77 | none-in-out | SNCnio | in-out | ActLoopNT-in | 3.0007 | ActLoopCT-out | nonTYR | APEdihe_aaiii | APEdist_nooi | APE10-dihe-na | -136.24, 136.94 | APE9-dihe-na | -82.54, -165.1 | APE8-dihe-in | -71.26, 138.19 | APE8-rot-in | 313.5 | APE67-dihe-in | -70.89, -23.23 | -61.89, -43.74 | APE12-dist-none | 999.0 | APE11-dist-out | 6.2673 | APE10-dist-out | 10.0131 | APE9-dist-in | 3.7494 | None | None | None | XRAY | 2.3 | 0.204 | 0.257 | B | 295.0 | 259.0 | 12 | 28 | 20 | 8 | [[678, 938]] | 1.0 | 2clq | Homo sapiens | STE_MAP3K5_HUMAN | STE | 5.9e-81 | 277.6 | 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 |
|---|