| 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 | 4BIDA | Q99683 | 670 | 939 | 1374.0 | IE8:4000 | Type1 | Inactive | DFGin | 7.6834 | 14.8169 | BLAminus | -102.49, -169.5 | 32.62, 94.58 | -110.23, 27.35 | 288.25, 85.03 | -82.81, -25.67 | in-out | in | 9.8961 | Saltbr-out | 8.8379 | HRD-in | -80.59, -44.06 | 71.64, -12.71 | out-in-out | SNCoio | in-out | ActLoopNT-in | 3.2123 | ActLoopCT-out | nonTYR | APEdihe_aaiii | APEdist_iooi | APE10-dihe-na | -123.03, 154.58 | APE9-dihe-na | -83.3, -134.14 | APE8-dihe-in | -115.1, 122.45 | APE8-rot-in | 304.44 | APE67-dihe-in | -76.51, -1.93 | -39.2, -49.34 | APE12-dist-in | 10.1679 | APE11-dist-out | 5.5849 | APE10-dist-out | 9.4249 | APE9-dist-in | 3.5219 | T838E | None | None | XRAY | 2.8 | 0.196 | 0.259 | A | 318.0 | 254.0 | 16 | 28 | 20 | 8 | [[678, 938]] | 1.0 | 4bid | STE_MAP3K5_HUMAN | STE | 1.6e-80 | 276.2 | 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 | 4BIDB | Q99683 | 670 | 940 | 1374.0 | IE8:4000 | Type1 | Inactive | DFGin | 7.305 | 14.8139 | BLAminus | -128.81, -175.28 | 60.09, 79.34 | -98.8, 16.39 | 285.54, 85.11 | -71.67, -26.71 | in-in | in | 8.688 | Saltbr-in | 3.0051 | HRD-in | -85.3, -31.09 | 65.9, -13.52 | in-in-out | SNCiio | in-out | ActLoopNT-in | 3.2185 | ActLoopCT-out | nonTYR | APEdihe_aaiii | APEdist_nooi | APE10-dihe-na | -142.53, 121.12 | APE9-dihe-na | -74.7, -130.34 | APE8-dihe-in | -116.64, 122.41 | APE8-rot-in | 302.24 | APE67-dihe-in | -59.91, -43.52 | -38.81, -52.5 | APE12-dist-none | 999.0 | APE11-dist-out | 7.3009 | APE10-dist-out | 9.7605 | APE9-dist-in | 3.5415 | T838E | None | None | XRAY | 2.8 | 0.196 | 0.259 | B | 318.0 | 258.0 | 13 | 28 | 19 | 9 | [[678, 938]] | 1.0 | 4bid | STE_MAP3K5_HUMAN | STE | 1.6e-80 | 276.2 | 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 | 4BIDA | Q99683 | 670 | 939 | 1374.0 | IE8:4000 | Type1 | Inactive | DFGin | 7.6834 | 14.8169 | BLAminus | -102.49, -169.5 | 32.62, 94.58 | -110.23, 27.35 | 288.25, 85.03 | -82.81, -25.67 | in-out | in | 9.8961 | Saltbr-out | 8.8379 | HRD-in | -80.59, -44.06 | 71.64, -12.71 | out-in-out | SNCoio | in-out | ActLoopNT-in | 3.2123 | ActLoopCT-out | nonTYR | APEdihe_aaiii | APEdist_iooi | APE10-dihe-na | -123.03, 154.58 | APE9-dihe-na | -83.3, -134.14 | APE8-dihe-in | -115.1, 122.45 | APE8-rot-in | 304.44 | APE67-dihe-in | -76.51, -1.93 | -39.2, -49.34 | APE12-dist-in | 10.1679 | APE11-dist-out | 5.5849 | APE10-dist-out | 9.4249 | APE9-dist-in | 3.5219 | T838E | None | None | XRAY | 2.8 | 0.196 | 0.259 | A | 318.0 | 254.0 | 16 | 28 | 20 | 8 | [[678, 938]] | 1.0 | 4bid | Homo sapiens | STE_MAP3K5_HUMAN | STE | 1.6e-80 | 276.2 | 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 | 4BIDB | Q99683 | 670 | 940 | 1374.0 | IE8:4000 | Type1 | Inactive | DFGin | 7.305 | 14.8139 | BLAminus | -128.81, -175.28 | 60.09, 79.34 | -98.8, 16.39 | 285.54, 85.11 | -71.67, -26.71 | in-in | in | 8.688 | Saltbr-in | 3.0051 | HRD-in | -85.3, -31.09 | 65.9, -13.52 | in-in-out | SNCiio | in-out | ActLoopNT-in | 3.2185 | ActLoopCT-out | nonTYR | APEdihe_aaiii | APEdist_nooi | APE10-dihe-na | -142.53, 121.12 | APE9-dihe-na | -74.7, -130.34 | APE8-dihe-in | -116.64, 122.41 | APE8-rot-in | 302.24 | APE67-dihe-in | -59.91, -43.52 | -38.81, -52.5 | APE12-dist-none | 999.0 | APE11-dist-out | 7.3009 | APE10-dist-out | 9.7605 | APE9-dist-in | 3.5415 | T838E | None | None | XRAY | 2.8 | 0.196 | 0.259 | B | 318.0 | 258.0 | 13 | 28 | 19 | 9 | [[678, 938]] | 1.0 | 4bid | Homo sapiens | STE_MAP3K5_HUMAN | STE | 1.6e-80 | 276.2 | 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 |
|---|