| 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 | PKNG | PKNG_MYCTU | 2PZIA | P9WI73 | 74 | 746 | 750.0 | AXX:60753 | Type1 | Inactive | DFGin | 6.6008 | 12.0554 | ABAminus | -106.5, -2.75 | -132.15, 115.82 | -102.8, 7.32 | 297.85, 2.78 | -57.21, -32.62 | out-out | out | 15.9796 | Saltbr-out | 16.3824 | HRD-in | -76.16, -39.19 | 75.61, -34.18 | out-in-out | SNCoio | in-out | ActLoopNT-in | 2.7926 | ActLoopCT-out | nonTYR | APEdihe_aaioi | APEdist_iiii | APE10-dihe-na | -95.26, 161.19 | APE9-dihe-na | 150.19, -175.09 | APE8-dihe-in | -129.99, 125.0 | APE8-rot-out | 112.67 | APE67-dihe-inflip | 105.73, -20.93 | -53.82, 133.09 | APE12-dist-in | 9.2034 | APE11-dist-in | 8.9813 | APE10-dist-in | 4.0292 | APE9-dist-in | 3.5981 | None | None | None | XRAY | 2.4 | 0.186 | 0.233 | A | 681.0 | 650.0 | 4 | 24 | 24 | 0 | [[151, 345]] | 1.0 | 2pzi | Mycobacterium tuberculosis | OTHER_PKNG_MYCTU | CAMK | 2.9e-21 | 83.6 | 1.0 | 186.0 | 186.0 | 292 | 293 | 294 | 296 | 298 | 181 | 198 | 202 | 273 | 275 | 274 | 276.0 | 327 | 316 | 311 | 310 | 309 | 308 | 307 | 306 | 305 | 233 | Serine/threonine-protein kinase PknG |
| OTHER | PKNG | PKNG_MYCTU | 2PZIB | P9WI73 | 74 | 745 | 750.0 | AXX:60752 | Type1 | Inactive | DFGin | 6.2582 | 11.9791 | ABAminus | -102.22, 7.63 | -143.6, 94.33 | -83.67, 13.87 | 294.84, 174.74 | -63.45, -19.12 | out-out | out | 15.3132 | Saltbr-out | 15.9223 | HRD-in | -81.23, -31.24 | 72.02, -39.94 | out-in-none | SNCoin | in-none | ActLoopNT-in | 2.8976 | ActLoopCT-none | nonTYR | APEdihe_aaiii | APEdist_niii | APE10-dihe-na | -100.11, 142.42 | APE9-dihe-na | 103.42, -151.73 | APE8-dihe-in | -116.58, 117.59 | APE8-rot-in | 295.43 | APE67-dihe-in | -65.51, -2.19 | -34.58, -54.88 | APE12-dist-none | 999.0 | APE11-dist-in | 10.8935 | APE10-dist-in | 5.8651 | APE9-dist-in | 3.6884 | None | None | None | XRAY | 2.4 | 0.186 | 0.233 | B | 681.0 | 640.0 | 5 | 24 | 23 | 1 | [[151, 345]] | 1.0 | 2pzi | Mycobacterium tuberculosis | OTHER_PKNG_MYCTU | CAMK | 2.9e-21 | 83.6 | 1.0 | 186.0 | 186.0 | 292 | 293 | 294 | 296 | 298 | 181 | 198 | 202 | 273 | 275 | 274 | 276.0 | 327 | 316 | 311 | 310 | 309 | 308 | 307 | 306 | 305 | 233 | Serine/threonine-protein kinase PknG |
| 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 | PKNG | PKNG_MYCTU | 2PZIA | P9WI73 | 74 | 746 | 750.0 | AXX:60753 | Type1 | Inactive | DFGin | 6.6008 | 12.0554 | ABAminus | -106.5, -2.75 | -132.15, 115.82 | -102.8, 7.32 | 297.85, 2.78 | -57.21, -32.62 | out-out | out | 15.9796 | Saltbr-out | 16.3824 | HRD-in | -76.16, -39.19 | 75.61, -34.18 | out-in-out | SNCoio | in-out | ActLoopNT-in | 2.7926 | ActLoopCT-out | nonTYR | APEdihe_aaioi | APEdist_iiii | APE10-dihe-na | -95.26, 161.19 | APE9-dihe-na | 150.19, -175.09 | APE8-dihe-in | -129.99, 125.0 | APE8-rot-out | 112.67 | APE67-dihe-inflip | 105.73, -20.93 | -53.82, 133.09 | APE12-dist-in | 9.2034 | APE11-dist-in | 8.9813 | APE10-dist-in | 4.0292 | APE9-dist-in | 3.5981 | None | None | None | XRAY | 2.4 | 0.186 | 0.233 | A | 681.0 | 650.0 | 4 | 24 | 24 | 0 | [[151, 345]] | 1.0 | 2pzi | Mycobacterium tuberculosis | OTHER_PKNG_MYCTU | CAMK | 2.9e-21 | 83.6 | 1.0 | 186.0 | 186.0 | 292 | 293 | 294 | 296 | 298 | 181 | 198 | 202 | 273 | 275 | 274 | 276.0 | 327 | 316 | 311 | 310 | 309 | 308 | 307 | 306 | 305 | 233 | Serine/threonine-protein kinase PknG |
| OTHER | PKNG | PKNG_MYCTU | 2PZIB | P9WI73 | 74 | 745 | 750.0 | AXX:60752 | Type1 | Inactive | DFGin | 6.2582 | 11.9791 | ABAminus | -102.22, 7.63 | -143.6, 94.33 | -83.67, 13.87 | 294.84, 174.74 | -63.45, -19.12 | out-out | out | 15.3132 | Saltbr-out | 15.9223 | HRD-in | -81.23, -31.24 | 72.02, -39.94 | out-in-none | SNCoin | in-none | ActLoopNT-in | 2.8976 | ActLoopCT-none | nonTYR | APEdihe_aaiii | APEdist_niii | APE10-dihe-na | -100.11, 142.42 | APE9-dihe-na | 103.42, -151.73 | APE8-dihe-in | -116.58, 117.59 | APE8-rot-in | 295.43 | APE67-dihe-in | -65.51, -2.19 | -34.58, -54.88 | APE12-dist-none | 999.0 | APE11-dist-in | 10.8935 | APE10-dist-in | 5.8651 | APE9-dist-in | 3.6884 | None | None | None | XRAY | 2.4 | 0.186 | 0.233 | B | 681.0 | 640.0 | 5 | 24 | 23 | 1 | [[151, 345]] | 1.0 | 2pzi | Mycobacterium tuberculosis | OTHER_PKNG_MYCTU | CAMK | 2.9e-21 | 83.6 | 1.0 | 186.0 | 186.0 | 292 | 293 | 294 | 296 | 298 | 181 | 198 | 202 | 273 | 275 | 274 | 276.0 | 327 | 316 | 311 | 310 | 309 | 308 | 307 | 306 | 305 | 233 | Serine/threonine-protein kinase PknG |