| 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 | 5M09A | P9WI69 | 1 | 256 | 585.0 | No_ligand | No_ligand | Inactive | DFGin | 8.4116 | 16.8505 | BLBminus | -124.05, 172.51 | 51.96, 55.09 | -66.12, 129.06 | 262.53, 89.89 | 48.1, 37.55 | out-out | out | 15.1375 | Saltbr-out | 15.4479 | HRD-in | -80.96, -49.43 | 76.55, -10.01 | out-out-out | SNCooo | out-out | ActLoopNT-out | 11.2265 | 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 | -69.4, -48.51 | -56.13, 141.78 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-none | 999.0 | APE9-dist-none | 999.0 | C20A,R136N | None | None | XRAY | 2.98 | 0.192 | 0.231 | A | 276.0 | 246.0 | 3 | 14 | 14 | 0 | [[12, 175]] | 1.0 | 5m09 | Mycobacterium tuberculosis | OTHER_PKNI_MYCTU | CAMK | 3.6e-18 | 75.0 | 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 | 5M09B | P9WI69 | 2 | 256 | 585.0 | No_ligand | No_ligand | Inactive | DFGin | 8.1126 | 16.6427 | BLBminus | -123.78, 172.68 | 52.48, 54.08 | -65.26, 128.73 | 262.51, 92.86 | 51.66, 35.21 | out-out | out | 14.6686 | Saltbr-out | 14.7155 | HRD-in | -76.3, -51.42 | 77.76, -9.12 | out-out-out | SNCooo | out-out | ActLoopNT-out | 11.0055 | 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 | -69.98, -49.01 | -59.73, 143.98 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-none | 999.0 | APE9-dist-none | 999.0 | C20A,R136N | None | None | XRAY | 2.98 | 0.192 | 0.231 | B | 276.0 | 245.0 | 3 | 14 | 14 | 0 | [[12, 175]] | 1.0 | 5m09 | Mycobacterium tuberculosis | OTHER_PKNI_MYCTU | CAMK | 3.6e-18 | 75.0 | 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 | 5M09A | P9WI69 | 1 | 256 | 585.0 | No_ligand | No_ligand | Inactive | DFGin | 8.4116 | 16.8505 | BLBminus | -124.05, 172.51 | 51.96, 55.09 | -66.12, 129.06 | 262.53, 89.89 | 48.1, 37.55 | out-out | out | 15.1375 | Saltbr-out | 15.4479 | HRD-in | -80.96, -49.43 | 76.55, -10.01 | out-out-out | SNCooo | out-out | ActLoopNT-out | 11.2265 | 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 | -69.4, -48.51 | -56.13, 141.78 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-none | 999.0 | APE9-dist-none | 999.0 | C20A,R136N | None | None | XRAY | 2.98 | 0.192 | 0.231 | A | 276.0 | 246.0 | 3 | 14 | 14 | 0 | [[12, 175]] | 1.0 | 5m09 | Mycobacterium tuberculosis | OTHER_PKNI_MYCTU | CAMK | 3.6e-18 | 75.0 | 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 | 5M09B | P9WI69 | 2 | 256 | 585.0 | No_ligand | No_ligand | Inactive | DFGin | 8.1126 | 16.6427 | BLBminus | -123.78, 172.68 | 52.48, 54.08 | -65.26, 128.73 | 262.51, 92.86 | 51.66, 35.21 | out-out | out | 14.6686 | Saltbr-out | 14.7155 | HRD-in | -76.3, -51.42 | 77.76, -9.12 | out-out-out | SNCooo | out-out | ActLoopNT-out | 11.0055 | 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 | -69.98, -49.01 | -59.73, 143.98 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-none | 999.0 | APE9-dist-none | 999.0 | C20A,R136N | None | None | XRAY | 2.98 | 0.192 | 0.231 | B | 276.0 | 245.0 | 3 | 14 | 14 | 0 | [[12, 175]] | 1.0 | 5m09 | Mycobacterium tuberculosis | OTHER_PKNI_MYCTU | CAMK | 3.6e-18 | 75.0 | 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 |