| 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 | 6XIHA | Q99683 | 671 | 940 | 1374.0 | V3S:1000 | Type1 | Inactive | DFGin | 6.6989 | 13.9353 | BLAminus | -124.24, 171.43 | 62.39, 90.11 | -100.17, 18.2 | 296.55, 92.58 | -52.23, -40.83 | in-in | in | 8.3954 | Saltbr-in | 2.7097 | HRD-in | -75.25, -49.42 | 79.66, 5.85 | in-in-out | SNCiio | in-out | ActLoopNT-in | 3.1756 | ActLoopCT-out | nonTYR | APEdihe_aaiii | APEdist_iooi | APE10-dihe-na | -129.36, 154.65 | APE9-dihe-na | -92.62, -162.28 | APE8-dihe-in | -70.59, 130.07 | APE8-rot-in | 331.74 | APE67-dihe-in | -62.68, -15.95 | -64.17, -51.46 | APE12-dist-in | 10.9559 | APE11-dist-out | 5.9634 | APE10-dist-out | 10.0051 | APE9-dist-in | 3.9309 | None | None | None | XRAY | 2.65 | 0.228 | 0.292 | A | 295.0 | 258.0 | 12 | 28 | 20 | 8 | [[678, 938]] | 1.0 | 6xih | STE_MAP3K5_HUMAN | STE | 6.1e-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 | 6XIHB | Q99683 | 671 | 939 | 1374.0 | V3S:1000 | Type1 | Inactive | DFGin | 6.6092 | 13.6753 | BLAminus | -132.91, 163.64 | 66.06, 96.79 | -103.4, 13.78 | 297.24, 111.79 | -55.47, -33.38 | in-in | in | 8.6702 | Saltbr-in | 2.6659 | HRD-in | -84.49, -53.59 | 86.87, -13.44 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.9085 | ActLoopCT-out | nonTYR | APEdihe_aaioi | APEdist_nnni | APE10-dihe-na | 999.0, 999.0 | APE9-dihe-na | 999.0, 156.58 | APE8-dihe-in | -52.99, 137.0 | APE8-rot-out | 62.22 | APE67-dihe-in | -90.67, 5.14 | -61.89, -43.48 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-none | 999.0 | APE9-dist-in | 4.1319 | None | None | None | XRAY | 2.65 | 0.228 | 0.292 | B | 295.0 | 246.0 | 23 | 28 | 16 | 12 | [[678, 938]] | 1.0 | 6xih | STE_MAP3K5_HUMAN | STE | 6.1e-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 | 6XIHA | Q99683 | 671 | 940 | 1374.0 | V3S:1000 | Type1 | Inactive | DFGin | 6.6989 | 13.9353 | BLAminus | -124.24, 171.43 | 62.39, 90.11 | -100.17, 18.2 | 296.55, 92.58 | -52.23, -40.83 | in-in | in | 8.3954 | Saltbr-in | 2.7097 | HRD-in | -75.25, -49.42 | 79.66, 5.85 | in-in-out | SNCiio | in-out | ActLoopNT-in | 3.1756 | ActLoopCT-out | nonTYR | APEdihe_aaiii | APEdist_iooi | APE10-dihe-na | -129.36, 154.65 | APE9-dihe-na | -92.62, -162.28 | APE8-dihe-in | -70.59, 130.07 | APE8-rot-in | 331.74 | APE67-dihe-in | -62.68, -15.95 | -64.17, -51.46 | APE12-dist-in | 10.9559 | APE11-dist-out | 5.9634 | APE10-dist-out | 10.0051 | APE9-dist-in | 3.9309 | None | None | None | XRAY | 2.65 | 0.228 | 0.292 | A | 295.0 | 258.0 | 12 | 28 | 20 | 8 | [[678, 938]] | 1.0 | 6xih | Homo sapiens | STE_MAP3K5_HUMAN | STE | 6.1e-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 | 6XIHB | Q99683 | 671 | 939 | 1374.0 | V3S:1000 | Type1 | Inactive | DFGin | 6.6092 | 13.6753 | BLAminus | -132.91, 163.64 | 66.06, 96.79 | -103.4, 13.78 | 297.24, 111.79 | -55.47, -33.38 | in-in | in | 8.6702 | Saltbr-in | 2.6659 | HRD-in | -84.49, -53.59 | 86.87, -13.44 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.9085 | ActLoopCT-out | nonTYR | APEdihe_aaioi | APEdist_nnni | APE10-dihe-na | 999.0, 999.0 | APE9-dihe-na | 999.0, 156.58 | APE8-dihe-in | -52.99, 137.0 | APE8-rot-out | 62.22 | APE67-dihe-in | -90.67, 5.14 | -61.89, -43.48 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-none | 999.0 | APE9-dist-in | 4.1319 | None | None | None | XRAY | 2.65 | 0.228 | 0.292 | B | 295.0 | 246.0 | 23 | 28 | 16 | 12 | [[678, 938]] | 1.0 | 6xih | Homo sapiens | STE_MAP3K5_HUMAN | STE | 6.1e-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 |
|---|