| 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 | 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 |
|---|
| 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 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| OTHER | PKNI | PKNI_MYCTU | 5M06B | P9WI69 | 2 | 255 | 585.0 | ADP:301 | ATPlike | Inactive | DFGin | 8.3159 | 16.6312 | BLBminus | -112.52, 166.29 | 60.43, 51.53 | -60.28, 125.48 | 270.62, 84.02 | 56.24, 31.01 | out-out | out | 14.989 | Saltbr-out | 14.3942 | HRD-in | -80.29, -52.43 | 77.96, -9.32 | out-out-out | SNCooo | out-out | ActLoopNT-out | 11.5297 | ActLoopCT-out | nonTYR | APEdihe_aanno | APEdist_nnnn | APE10-dihe-na | 999.0, 999.0 | APE9-dihe-na | 999.0, 999.0 | APE8-dihe-none | 999.0, 999.0 | APE8-rot-none | 999.0 | APE67-dihe-out | -70.34, -46.82 | -66.42, 150.72 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-none | 999.0 | APE9-dist-none | 999.0 | None | None | None | XRAY | 2.0 | 0.213 | 0.239 | B | 276.0 | 248.0 | 3 | 14 | 14 | 0 | [[12, 175]] | 1.0 | 5m06 | Mycobacterium tuberculosis | OTHER_PKNI_MYCTU | CAMK | 1.3e-18 | 76.4 | 1.0 | 201.0 | 201.0 | 158 | 159 | 160 | 162 | 164 | 41 | 60 | 64 | 134 | 136 | 135 | 137.0 | 184 | 172 | 167 | 166 | 0 | 0 | 0 | 0 | 0 | 90 | Serine/threonine-protein kinase PknI |
| OTHER | PKNI | PKNI_MYCTU | 5M06A | P9WI69 | 1 | 255 | 585.0 | No_ligand | No_ligand | Inactive | DFGin | 8.1754 | 16.5707 | BLBminus | -114.34, 166.27 | 60.25, 51.96 | -60.81, 125.3 | 269.64, 85.54 | 57.81, 29.91 | out-out | out | 14.9931 | Saltbr-out | 14.4185 | HRD-in | -78.81, -53.01 | 78.49, -10.01 | out-out-out | SNCooo | out-out | ActLoopNT-out | 11.4917 | ActLoopCT-out | nonTYR | APEdihe_aanno | APEdist_nnnn | APE10-dihe-na | 999.0, 999.0 | APE9-dihe-na | 999.0, 999.0 | APE8-dihe-none | 999.0, 999.0 | APE8-rot-none | 999.0 | APE67-dihe-out | -70.1, -47.6 | -66.6, 151.28 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-none | 999.0 | APE9-dist-none | 999.0 | None | None | None | XRAY | 2.0 | 0.213 | 0.239 | A | 276.0 | 245.0 | 6 | 14 | 14 | 0 | [[12, 175]] | 1.0 | 5m06 | Mycobacterium tuberculosis | OTHER_PKNI_MYCTU | CAMK | 1.3e-18 | 76.4 | 1.0 | 201.0 | 201.0 | 158 | 159 | 160 | 162 | 164 | 41 | 60 | 64 | 134 | 136 | 135 | 137.0 | 184 | 172 | 167 | 166 | 0 | 0 | 0 | 0 | 0 | 90 | Serine/threonine-protein kinase PknI |
| 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 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| OTHER | PKNI | PKNI_MYCTU | 5M06B | P9WI69 | 2 | 255 | 585.0 | ADP:301 | ATPlike | Inactive | DFGin | 8.3159 | 16.6312 | BLBminus | -112.52, 166.29 | 60.43, 51.53 | -60.28, 125.48 | 270.62, 84.02 | 56.24, 31.01 | out-out | out | 14.989 | Saltbr-out | 14.3942 | HRD-in | -80.29, -52.43 | 77.96, -9.32 | out-out-out | SNCooo | out-out | ActLoopNT-out | 11.5297 | ActLoopCT-out | nonTYR | APEdihe_aanno | APEdist_nnnn | APE10-dihe-na | 999.0, 999.0 | APE9-dihe-na | 999.0, 999.0 | APE8-dihe-none | 999.0, 999.0 | APE8-rot-none | 999.0 | APE67-dihe-out | -70.34, -46.82 | -66.42, 150.72 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-none | 999.0 | APE9-dist-none | 999.0 | None | None | None | XRAY | 2.0 | 0.213 | 0.239 | B | 276.0 | 248.0 | 3 | 14 | 14 | 0 | [[12, 175]] | 1.0 | 5m06 | Mycobacterium tuberculosis | OTHER_PKNI_MYCTU | CAMK | 1.3e-18 | 76.4 | 1.0 | 201.0 | 201.0 | 158 | 159 | 160 | 162 | 164 | 41 | 60 | 64 | 134 | 136 | 135 | 137.0 | 184 | 172 | 167 | 166 | 0 | 0 | 0 | 0 | 0 | 90 | Serine/threonine-protein kinase PknI |
| OTHER | PKNI | PKNI_MYCTU | 5M06A | P9WI69 | 1 | 255 | 585.0 | No_ligand | No_ligand | Inactive | DFGin | 8.1754 | 16.5707 | BLBminus | -114.34, 166.27 | 60.25, 51.96 | -60.81, 125.3 | 269.64, 85.54 | 57.81, 29.91 | out-out | out | 14.9931 | Saltbr-out | 14.4185 | HRD-in | -78.81, -53.01 | 78.49, -10.01 | out-out-out | SNCooo | out-out | ActLoopNT-out | 11.4917 | ActLoopCT-out | nonTYR | APEdihe_aanno | APEdist_nnnn | APE10-dihe-na | 999.0, 999.0 | APE9-dihe-na | 999.0, 999.0 | APE8-dihe-none | 999.0, 999.0 | APE8-rot-none | 999.0 | APE67-dihe-out | -70.1, -47.6 | -66.6, 151.28 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-none | 999.0 | APE9-dist-none | 999.0 | None | None | None | XRAY | 2.0 | 0.213 | 0.239 | A | 276.0 | 245.0 | 6 | 14 | 14 | 0 | [[12, 175]] | 1.0 | 5m06 | Mycobacterium tuberculosis | OTHER_PKNI_MYCTU | CAMK | 1.3e-18 | 76.4 | 1.0 | 201.0 | 201.0 | 158 | 159 | 160 | 162 | 164 | 41 | 60 | 64 | 134 | 136 | 135 | 137.0 | 184 | 172 | 167 | 166 | 0 | 0 | 0 | 0 | 0 | 90 | Serine/threonine-protein kinase PknI |