| 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 | 3VW6A | Q99683 | 671 | 939 | 1374.0 | IM6:1001 | Type1 | Inactive | DFGin | 6.766 | 13.6942 | BLAminus | -134.4, 159.82 | 63.61, 96.18 | -106.08, 19.14 | 299.77, 93.59 | -65.67, -26.71 | in-in | in | 8.3482 | Saltbr-in | 2.7445 | HRD-in | -68.63, -53.22 | 81.29, -1.87 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.9981 | ActLoopCT-out | nonTYR | APEdihe_aaiii | APEdist_iooi | APE10-dihe-na | -141.75, 135.33 | APE9-dihe-na | -74.82, -165.45 | APE8-dihe-in | -69.97, 129.12 | APE8-rot-in | 307.72 | APE67-dihe-in | -79.01, -8.94 | -54.17, -44.62 | APE12-dist-in | 11.5323 | APE11-dist-out | 5.6095 | APE10-dist-out | 9.7368 | APE9-dist-in | 3.7604 | None | None | None | XRAY | 2.4 | 0.215 | 0.252 | A | 269.0 | 255.0 | 14 | 28 | 20 | 8 | [[678, 938]] | 1.0 | 3vw6 | STE_MAP3K5_HUMAN | STE | 4.3e-81 | 278.0 | 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 | 3VW6B | Q99683 | 671 | 939 | 1374.0 | IM6:1001 | Type1 | Inactive | DFGin | 6.4733 | 13.7571 | BLAminus | -134.33, 172.21 | 68.61, 93.15 | -105.24, 21.46 | 296.68, 86.91 | -65.52, -28.46 | in-in | in | 8.5263 | Saltbr-in | 2.6284 | HRD-in | -73.34, -41.76 | 69.65, 0.5 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.951 | ActLoopCT-out | nonTYR | APEdihe_aaiii | APEdist_nnoi | APE10-dihe-na | 999.0, 138.85 | APE9-dihe-na | -88.87, -154.31 | APE8-dihe-in | -65.66, 132.6 | APE8-rot-in | 313.09 | APE67-dihe-in | -73.68, -9.35 | -60.99, -45.83 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-out | 10.3215 | APE9-dist-in | 4.1409 | None | None | None | XRAY | 2.4 | 0.215 | 0.252 | B | 269.0 | 253.0 | 16 | 28 | 18 | 10 | [[678, 938]] | 1.0 | 3vw6 | STE_MAP3K5_HUMAN | STE | 4.3e-81 | 278.0 | 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 | 3VW6A | Q99683 | 671 | 939 | 1374.0 | IM6:1001 | Type1 | Inactive | DFGin | 6.766 | 13.6942 | BLAminus | -134.4, 159.82 | 63.61, 96.18 | -106.08, 19.14 | 299.77, 93.59 | -65.67, -26.71 | in-in | in | 8.3482 | Saltbr-in | 2.7445 | HRD-in | -68.63, -53.22 | 81.29, -1.87 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.9981 | ActLoopCT-out | nonTYR | APEdihe_aaiii | APEdist_iooi | APE10-dihe-na | -141.75, 135.33 | APE9-dihe-na | -74.82, -165.45 | APE8-dihe-in | -69.97, 129.12 | APE8-rot-in | 307.72 | APE67-dihe-in | -79.01, -8.94 | -54.17, -44.62 | APE12-dist-in | 11.5323 | APE11-dist-out | 5.6095 | APE10-dist-out | 9.7368 | APE9-dist-in | 3.7604 | None | None | None | XRAY | 2.4 | 0.215 | 0.252 | A | 269.0 | 255.0 | 14 | 28 | 20 | 8 | [[678, 938]] | 1.0 | 3vw6 | Homo sapiens | STE_MAP3K5_HUMAN | STE | 4.3e-81 | 278.0 | 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 | 3VW6B | Q99683 | 671 | 939 | 1374.0 | IM6:1001 | Type1 | Inactive | DFGin | 6.4733 | 13.7571 | BLAminus | -134.33, 172.21 | 68.61, 93.15 | -105.24, 21.46 | 296.68, 86.91 | -65.52, -28.46 | in-in | in | 8.5263 | Saltbr-in | 2.6284 | HRD-in | -73.34, -41.76 | 69.65, 0.5 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.951 | ActLoopCT-out | nonTYR | APEdihe_aaiii | APEdist_nnoi | APE10-dihe-na | 999.0, 138.85 | APE9-dihe-na | -88.87, -154.31 | APE8-dihe-in | -65.66, 132.6 | APE8-rot-in | 313.09 | APE67-dihe-in | -73.68, -9.35 | -60.99, -45.83 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-out | 10.3215 | APE9-dist-in | 4.1409 | None | None | None | XRAY | 2.4 | 0.215 | 0.252 | B | 269.0 | 253.0 | 16 | 28 | 18 | 10 | [[678, 938]] | 1.0 | 3vw6 | Homo sapiens | STE_MAP3K5_HUMAN | STE | 4.3e-81 | 278.0 | 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 |
|---|