| Spatial label | Dihedral label | Number of Chains | Percent | Representative |
|---|
| Gene | 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 |
|---|
| 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 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| TCUR0376 | D1A2F7_THECD | 8CAVA | D1A2F7 | 6 | 865 | 865.0 | ANP:61003 | Allosteric | Inactive | DFGout | 25.0288 | 13.8059 | None | -136.61, -176.07 | 50.55, 90.07 | -109.52, 39.53 | 298.71, 97.0 | -61.52, -45.79 | out-na | out | 23.3041 | Saltbr-na | 999.0 | HRD-in | -69.88, -46.85 | 69.44, -25.22 | na-in-out | SNCaio | in-out | ActLoopNT-in | 3.0456 | ActLoopCT-out | nonTYR | APEdihe_aaiii | APEdist_oiii | APE10-dihe-na | 151.19, 133.67 | APE9-dihe-na | -156.32, 163.61 | APE8-dihe-in | -115.94, 119.26 | APE8-rot-in | 286.11 | APE67-dihe-inflip | 85.43, -34.6 | -53.57, 131.45 | APE12-dist-out | 4.1645 | APE11-dist-in | 8.3427 | APE10-dist-in | 6.3115 | APE9-dist-in | 5.6421 | None | None | None | XRAY | 2.87 | 0.24 | 0.293 | A | 865.0 | 860.0 | 0 | 23 | 23 | 0 | [[216, 447]] | 1.0 | 8cav | Thermomonospora curvata | OTHER_TCUR0376_THECD | OTHER | 2.3e-11 | 51.4 | 3.0 | 202.0 | 200.0 | 367 | 368 | 369 | 371 | 373 | 245 | 255 | 255 | 346 | 348 | 347 | 349.0 | 402 | 390 | 385 | 384 | 383 | 382 | 381 | 380 | 379 | 255 | Serine/threonine protein kinase |
| TCUR0376 | D1A2F7_THECD | 8CAVB | D1A2F7 | 6 | 863 | 865.0 | ANP:61102 | Allosteric | Inactive | DFGout | 25.219 | 13.2725 | None | -136.17, 0.21 | -151.94, 106.25 | -116.71, 46.61 | 337.45, 77.06 | -61.98, -44.38 | out-na | out | 23.2159 | Saltbr-na | 999.0 | HRD-in | -72.63, -51.39 | 72.73, -38.34 | na-in-out | SNCaio | in-out | ActLoopNT-in | 3.126 | ActLoopCT-out | nonTYR | APEdihe_aaiii | APEdist_oiii | APE10-dihe-na | 155.97, 136.86 | APE9-dihe-na | -156.68, 147.71 | APE8-dihe-in | -106.12, 118.89 | APE8-rot-in | 302.92 | APE67-dihe-inflip | 84.82, -43.75 | -50.92, 139.58 | APE12-dist-out | 4.0314 | APE11-dist-in | 8.2152 | APE10-dist-in | 6.5289 | APE9-dist-in | 5.9687 | None | None | None | XRAY | 2.87 | 0.24 | 0.293 | B | 865.0 | 858.0 | 0 | 23 | 23 | 0 | [[216, 447]] | 1.0 | 8cav | Thermomonospora curvata | OTHER_TCUR0376_THECD | OTHER | 2.3e-11 | 51.4 | 3.0 | 202.0 | 200.0 | 367 | 368 | 369 | 371 | 373 | 245 | 255 | 255 | 346 | 348 | 347 | 349.0 | 402 | 390 | 385 | 384 | 383 | 382 | 381 | 380 | 379 | 255 | Serine/threonine protein kinase |
| TCUR0376 | D1A2F7_THECD | 8CARA | D1A2F7 | 1 | 861 | 865.0 | No_ligand | No_ligand | Inactive | None | 24.9848 | 14.4746 | None | -144.29, 51.99 | -167.21, 126.34 | -145.3, 26.52 | 292.16, 96.48 | -52.08, -33.88 | out-na | out | 23.2168 | Saltbr-na | 999.0 | HRD-in | -53.08, -41.63 | 61.48, 4.05 | na-in-out | SNCaio | in-out | ActLoopNT-in | 3.4908 | ActLoopCT-out | nonTYR | APEdihe_aaoio | APEdist_oiio | APE10-dihe-na | -111.7, -93.01 | APE9-dihe-na | 47.36, 21.07 | APE8-dihe-out | -56.8, -49.7 | APE8-rot-in | 268.05 | APE67-dihe-out | -45.68, -19.44 | -71.17, 111.38 | APE12-dist-out | 4.5136 | APE11-dist-in | 8.8595 | APE10-dist-in | 6.7045 | APE9-dist-out | 6.723 | None | None | MSE1,MSE67,MSE127,MSE422,MSE444,MSE508,MSE531,MSE533,MSE724,MSE769 | XRAY | 2.68 | 0.298 | 0.337 | A | 865.0 | 830.0 | 25 | 23 | 23 | 0 | [[216, 447]] | 1.0 | 8car | Thermomonospora curvata | OTHER_TCUR0376_THECD | OTHER | 2.3e-11 | 51.4 | 3.0 | 202.0 | 200.0 | 367 | 368 | 369 | 371 | 373 | 245 | 255 | 255 | 346 | 348 | 347 | 349.0 | 402 | 390 | 385 | 384 | 383 | 382 | 381 | 380 | 379 | 255 | Serine/threonine protein kinase |
| 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 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| TCUR0376 | D1A2F7_THECD | 8CAVA | D1A2F7 | 6 | 865 | 865.0 | ANP:61003 | Allosteric | Inactive | DFGout | 25.0288 | 13.8059 | None | -136.61, -176.07 | 50.55, 90.07 | -109.52, 39.53 | 298.71, 97.0 | -61.52, -45.79 | out-na | out | 23.3041 | Saltbr-na | 999.0 | HRD-in | -69.88, -46.85 | 69.44, -25.22 | na-in-out | SNCaio | in-out | ActLoopNT-in | 3.0456 | ActLoopCT-out | nonTYR | APEdihe_aaiii | APEdist_oiii | APE10-dihe-na | 151.19, 133.67 | APE9-dihe-na | -156.32, 163.61 | APE8-dihe-in | -115.94, 119.26 | APE8-rot-in | 286.11 | APE67-dihe-inflip | 85.43, -34.6 | -53.57, 131.45 | APE12-dist-out | 4.1645 | APE11-dist-in | 8.3427 | APE10-dist-in | 6.3115 | APE9-dist-in | 5.6421 | None | None | None | XRAY | 2.87 | 0.24 | 0.293 | A | 865.0 | 860.0 | 0 | 23 | 23 | 0 | [[216, 447]] | 1.0 | 8cav | Thermomonospora curvata | OTHER_TCUR0376_THECD | OTHER | 2.3e-11 | 51.4 | 3.0 | 202.0 | 200.0 | 367 | 368 | 369 | 371 | 373 | 245 | 255 | 255 | 346 | 348 | 347 | 349.0 | 402 | 390 | 385 | 384 | 383 | 382 | 381 | 380 | 379 | 255 | Serine/threonine protein kinase |
| TCUR0376 | D1A2F7_THECD | 8CAVB | D1A2F7 | 6 | 863 | 865.0 | ANP:61102 | Allosteric | Inactive | DFGout | 25.219 | 13.2725 | None | -136.17, 0.21 | -151.94, 106.25 | -116.71, 46.61 | 337.45, 77.06 | -61.98, -44.38 | out-na | out | 23.2159 | Saltbr-na | 999.0 | HRD-in | -72.63, -51.39 | 72.73, -38.34 | na-in-out | SNCaio | in-out | ActLoopNT-in | 3.126 | ActLoopCT-out | nonTYR | APEdihe_aaiii | APEdist_oiii | APE10-dihe-na | 155.97, 136.86 | APE9-dihe-na | -156.68, 147.71 | APE8-dihe-in | -106.12, 118.89 | APE8-rot-in | 302.92 | APE67-dihe-inflip | 84.82, -43.75 | -50.92, 139.58 | APE12-dist-out | 4.0314 | APE11-dist-in | 8.2152 | APE10-dist-in | 6.5289 | APE9-dist-in | 5.9687 | None | None | None | XRAY | 2.87 | 0.24 | 0.293 | B | 865.0 | 858.0 | 0 | 23 | 23 | 0 | [[216, 447]] | 1.0 | 8cav | Thermomonospora curvata | OTHER_TCUR0376_THECD | OTHER | 2.3e-11 | 51.4 | 3.0 | 202.0 | 200.0 | 367 | 368 | 369 | 371 | 373 | 245 | 255 | 255 | 346 | 348 | 347 | 349.0 | 402 | 390 | 385 | 384 | 383 | 382 | 381 | 380 | 379 | 255 | Serine/threonine protein kinase |
| TCUR0376 | D1A2F7_THECD | 8CARA | D1A2F7 | 1 | 861 | 865.0 | No_ligand | No_ligand | Inactive | None | 24.9848 | 14.4746 | None | -144.29, 51.99 | -167.21, 126.34 | -145.3, 26.52 | 292.16, 96.48 | -52.08, -33.88 | out-na | out | 23.2168 | Saltbr-na | 999.0 | HRD-in | -53.08, -41.63 | 61.48, 4.05 | na-in-out | SNCaio | in-out | ActLoopNT-in | 3.4908 | ActLoopCT-out | nonTYR | APEdihe_aaoio | APEdist_oiio | APE10-dihe-na | -111.7, -93.01 | APE9-dihe-na | 47.36, 21.07 | APE8-dihe-out | -56.8, -49.7 | APE8-rot-in | 268.05 | APE67-dihe-out | -45.68, -19.44 | -71.17, 111.38 | APE12-dist-out | 4.5136 | APE11-dist-in | 8.8595 | APE10-dist-in | 6.7045 | APE9-dist-out | 6.723 | None | None | MSE1,MSE67,MSE127,MSE422,MSE444,MSE508,MSE531,MSE533,MSE724,MSE769 | XRAY | 2.68 | 0.298 | 0.337 | A | 865.0 | 830.0 | 25 | 23 | 23 | 0 | [[216, 447]] | 1.0 | 8car | Thermomonospora curvata | OTHER_TCUR0376_THECD | OTHER | 2.3e-11 | 51.4 | 3.0 | 202.0 | 200.0 | 367 | 368 | 369 | 371 | 373 | 245 | 255 | 255 | 346 | 348 | 347 | 349.0 | 402 | 390 | 385 | 384 | 383 | 382 | 381 | 380 | 379 | 255 | Serine/threonine protein kinase |