| 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 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| TKL | LRRK1 | LRRK1_HUMAN | AF-Q38SD2-K1A | Q38SD2 | 1230 | 1530 | 2015.0 | No_ligand | No_ligand | Active | DFGin | 6.6246 | 13.15 | BLAminus | -140.55, 169.76 | 59.74, 85.54 | -99.91, 15.75 | 301.03, 85.83 | -59.9, -29.19 | in-in | in | 8.2094 | Saltbr-in | 2.7955 | HRD-in | -70.56, -36.78 | 65.97, -19.43 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.8303 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -118.58, 159.49 | APE9-dihe-na | 112.38, 162.28 | APE8-dihe-in | -80.9, 130.89 | APE8-rot-in | 296.78 | APE67-dihe-inflip | 94.65, -25.72 | -51.06, 134.24 | APE12-dist-in | 9.8817 | APE11-dist-in | 11.1292 | APE10-dist-in | 5.4361 | APE9-dist-in | 3.2469 | None | None | None | AF2 | -1.0 | 1.0 | 1.0 | A | 301.0 | 301.0 | 0 | 26 | 26 | 0 | [[1238, 1522]] | 1.0 | AF-Q38SD2-K1 | TKL_LRRK1_HUMAN | TKL | 1.3e-73 | 253.8 | 5.0 | 266.0 | 262.0 | 1408 | 1409 | 1410 | 1412 | 1414 | 1270 | 1307 | 1311 | 1383 | 1385 | 1384 | 1386.0 | 1446 | 1434 | 1429 | 1428 | 1427 | 1426 | 1425 | 1424 | 1423 | 1335 | Leucine-rich repeat serine/threonine-protein kinase 1 |
| TKL | LRRK1 | LRRK1_HUMAN | AF-Q38SD2-K3A | Q38SD2 | 1230 | 1530 | 2015.0 | No_ligand | No_ligand | Active | DFGin | 6.3459 | 14.1887 | BLAminus | -140.65, 173.47 | 64.6, 65.38 | -84.53, 12.89 | 294.24, 85.13 | -59.76, -32.57 | in-in | in | 8.1053 | Saltbr-in | 2.7374 | HRD-in | -77.85, -38.43 | 69.18, -20.59 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.8262 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -85.14, 152.41 | APE9-dihe-na | 147.32, 162.35 | APE8-dihe-in | -83.03, 128.01 | APE8-rot-in | 299.13 | APE67-dihe-inflip | 98.1, -28.11 | -56.09, 131.5 | APE12-dist-in | 8.9179 | APE11-dist-in | 10.7333 | APE10-dist-in | 5.3427 | APE9-dist-in | 3.8101 | None | None | None | AF2 | -1.0 | 1.0 | 1.0 | A | 301.0 | 301.0 | 0 | 26 | 26 | 0 | [[1238, 1522]] | 1.0 | AF-Q38SD2-K3 | TKL_LRRK1_HUMAN | TKL | 1.3e-73 | 253.8 | 5.0 | 266.0 | 262.0 | 1408 | 1409 | 1410 | 1412 | 1414 | 1270 | 1307 | 1311 | 1383 | 1385 | 1384 | 1386.0 | 1446 | 1434 | 1429 | 1428 | 1427 | 1426 | 1425 | 1424 | 1423 | 1335 | Leucine-rich repeat serine/threonine-protein kinase 1 |
| 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 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| TKL | LRRK1 | LRRK1_HUMAN | AF-Q38SD2-K1A | Q38SD2 | 1230 | 1530 | 2015.0 | No_ligand | No_ligand | Active | DFGin | 6.6246 | 13.15 | BLAminus | -140.55, 169.76 | 59.74, 85.54 | -99.91, 15.75 | 301.03, 85.83 | -59.9, -29.19 | in-in | in | 8.2094 | Saltbr-in | 2.7955 | HRD-in | -70.56, -36.78 | 65.97, -19.43 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.8303 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -118.58, 159.49 | APE9-dihe-na | 112.38, 162.28 | APE8-dihe-in | -80.9, 130.89 | APE8-rot-in | 296.78 | APE67-dihe-inflip | 94.65, -25.72 | -51.06, 134.24 | APE12-dist-in | 9.8817 | APE11-dist-in | 11.1292 | APE10-dist-in | 5.4361 | APE9-dist-in | 3.2469 | None | None | None | AF2 | -1.0 | 1.0 | 1.0 | A | 301.0 | 301.0 | 0 | 26 | 26 | 0 | [[1238, 1522]] | 1.0 | AF-Q38SD2-K1 | Homo sapiens | TKL_LRRK1_HUMAN | TKL | 1.3e-73 | 253.8 | 5.0 | 266.0 | 262.0 | 1408 | 1409 | 1410 | 1412 | 1414 | 1270 | 1307 | 1311 | 1383 | 1385 | 1384 | 1386.0 | 1446 | 1434 | 1429 | 1428 | 1427 | 1426 | 1425 | 1424 | 1423 | 1335 | Leucine-rich repeat serine/threonine-protein kinase 1 |
| TKL | LRRK1 | LRRK1_HUMAN | AF-Q38SD2-K3A | Q38SD2 | 1230 | 1530 | 2015.0 | No_ligand | No_ligand | Active | DFGin | 6.3459 | 14.1887 | BLAminus | -140.65, 173.47 | 64.6, 65.38 | -84.53, 12.89 | 294.24, 85.13 | -59.76, -32.57 | in-in | in | 8.1053 | Saltbr-in | 2.7374 | HRD-in | -77.85, -38.43 | 69.18, -20.59 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.8262 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -85.14, 152.41 | APE9-dihe-na | 147.32, 162.35 | APE8-dihe-in | -83.03, 128.01 | APE8-rot-in | 299.13 | APE67-dihe-inflip | 98.1, -28.11 | -56.09, 131.5 | APE12-dist-in | 8.9179 | APE11-dist-in | 10.7333 | APE10-dist-in | 5.3427 | APE9-dist-in | 3.8101 | None | None | None | AF2 | -1.0 | 1.0 | 1.0 | A | 301.0 | 301.0 | 0 | 26 | 26 | 0 | [[1238, 1522]] | 1.0 | AF-Q38SD2-K3 | Homo sapiens | TKL_LRRK1_HUMAN | TKL | 1.3e-73 | 253.8 | 5.0 | 266.0 | 262.0 | 1408 | 1409 | 1410 | 1412 | 1414 | 1270 | 1307 | 1311 | 1383 | 1385 | 1384 | 1386.0 | 1446 | 1434 | 1429 | 1428 | 1427 | 1426 | 1425 | 1424 | 1423 | 1335 | Leucine-rich repeat serine/threonine-protein kinase 1 |
| 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 |
|---|