| 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 | TNNI3K | TNI3K_HUMAN | AF-Q59H18-K1A | Q59H18 | 455 | 729 | 835.0 | No_ligand | No_ligand | Inactive | DFGin | 6.9673 | 14.2132 | BLAminus | -137.24, 177.07 | 58.03, 78.77 | -90.1, 16.58 | 289.46, 86.3 | -61.99, -35.76 | in-in | in | 8.4036 | Saltbr-in | 2.841 | HRD-in | -76.03, -43.57 | 65.98, -16.11 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.9244 | ActLoopCT-out | nonTYR | APEdihe_aaiai | APEdist_iooi | APE10-dihe-na | -71.99, 139.8 | APE9-dihe-na | -71.23, -158.5 | APE8-dihe-in | -64.75, 109.31 | APE8-rot-na | 193.38 | APE67-dihe-in | -73.05, -29.32 | -52.87, -33.11 | APE12-dist-in | 12.5994 | APE11-dist-out | 7.6494 | APE10-dist-out | 10.2409 | APE9-dist-in | 4.0266 | None | None | None | AF2 | -1.0 | 1.0 | 1.0 | A | 275.0 | 275.0 | 0 | 29 | 29 | 0 | [[463, 721]] | 1.0 | AF-Q59H18-K1 | TKL_TNNI3K_HUMAN | TKL | 9.6e-78 | 267.3 | 1.0 | 267.0 | 267.0 | 605 | 606 | 607 | 609 | 611 | 490 | 509 | 513 | 585 | 587 | 586 | 588.0 | 647 | 634 | 629 | 628 | 627 | 626 | 625 | 624 | 623 | 540 | Serine/threonine-protein kinase TNNI3K |
| TKL | TNNI3K | TNI3K_HUMAN | AF-Q59H18-K3A | Q59H18 | 455 | 729 | 835.0 | No_ligand | No_ligand | Active | DFGin | 6.6962 | 13.8804 | BLAminus | -139.07, 177.24 | 54.32, 90.68 | -94.1, 12.35 | 288.15, 91.72 | -60.08, -34.83 | in-in | in | 8.1877 | Saltbr-in | 2.7503 | HRD-in | -78.12, -43.64 | 70.08, -16.01 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.8812 | ActLoopCT-in | nonTYR | APEdihe_aaiai | APEdist_iiii | APE10-dihe-na | -78.58, 153.21 | APE9-dihe-na | 68.3, -167.13 | APE8-dihe-in | -85.53, 115.08 | APE8-rot-na | 194.71 | APE67-dihe-in | -69.96, -26.34 | -49.24, -34.71 | APE12-dist-in | 10.0753 | APE11-dist-in | 11.1028 | APE10-dist-in | 5.413 | APE9-dist-in | 3.8317 | None | None | None | AF2 | -1.0 | 1.0 | 1.0 | A | 275.0 | 275.0 | 0 | 29 | 29 | 0 | [[463, 721]] | 1.0 | AF-Q59H18-K3 | TKL_TNNI3K_HUMAN | TKL | 9.6e-78 | 267.3 | 1.0 | 267.0 | 267.0 | 605 | 606 | 607 | 609 | 611 | 490 | 509 | 513 | 585 | 587 | 586 | 588.0 | 647 | 634 | 629 | 628 | 627 | 626 | 625 | 624 | 623 | 540 | Serine/threonine-protein kinase TNNI3K |
| 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 | TNNI3K | TNI3K_HUMAN | AF-Q59H18-K1A | Q59H18 | 455 | 729 | 835.0 | No_ligand | No_ligand | Inactive | DFGin | 6.9673 | 14.2132 | BLAminus | -137.24, 177.07 | 58.03, 78.77 | -90.1, 16.58 | 289.46, 86.3 | -61.99, -35.76 | in-in | in | 8.4036 | Saltbr-in | 2.841 | HRD-in | -76.03, -43.57 | 65.98, -16.11 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.9244 | ActLoopCT-out | nonTYR | APEdihe_aaiai | APEdist_iooi | APE10-dihe-na | -71.99, 139.8 | APE9-dihe-na | -71.23, -158.5 | APE8-dihe-in | -64.75, 109.31 | APE8-rot-na | 193.38 | APE67-dihe-in | -73.05, -29.32 | -52.87, -33.11 | APE12-dist-in | 12.5994 | APE11-dist-out | 7.6494 | APE10-dist-out | 10.2409 | APE9-dist-in | 4.0266 | None | None | None | AF2 | -1.0 | 1.0 | 1.0 | A | 275.0 | 275.0 | 0 | 29 | 29 | 0 | [[463, 721]] | 1.0 | AF-Q59H18-K1 | Homo sapiens | TKL_TNNI3K_HUMAN | TKL | 9.6e-78 | 267.3 | 1.0 | 267.0 | 267.0 | 605 | 606 | 607 | 609 | 611 | 490 | 509 | 513 | 585 | 587 | 586 | 588.0 | 647 | 634 | 629 | 628 | 627 | 626 | 625 | 624 | 623 | 540 | Serine/threonine-protein kinase TNNI3K |
| TKL | TNNI3K | TNI3K_HUMAN | AF-Q59H18-K3A | Q59H18 | 455 | 729 | 835.0 | No_ligand | No_ligand | Active | DFGin | 6.6962 | 13.8804 | BLAminus | -139.07, 177.24 | 54.32, 90.68 | -94.1, 12.35 | 288.15, 91.72 | -60.08, -34.83 | in-in | in | 8.1877 | Saltbr-in | 2.7503 | HRD-in | -78.12, -43.64 | 70.08, -16.01 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.8812 | ActLoopCT-in | nonTYR | APEdihe_aaiai | APEdist_iiii | APE10-dihe-na | -78.58, 153.21 | APE9-dihe-na | 68.3, -167.13 | APE8-dihe-in | -85.53, 115.08 | APE8-rot-na | 194.71 | APE67-dihe-in | -69.96, -26.34 | -49.24, -34.71 | APE12-dist-in | 10.0753 | APE11-dist-in | 11.1028 | APE10-dist-in | 5.413 | APE9-dist-in | 3.8317 | None | None | None | AF2 | -1.0 | 1.0 | 1.0 | A | 275.0 | 275.0 | 0 | 29 | 29 | 0 | [[463, 721]] | 1.0 | AF-Q59H18-K3 | Homo sapiens | TKL_TNNI3K_HUMAN | TKL | 9.6e-78 | 267.3 | 1.0 | 267.0 | 267.0 | 605 | 606 | 607 | 609 | 611 | 490 | 509 | 513 | 585 | 587 | 586 | 588.0 | 647 | 634 | 629 | 628 | 627 | 626 | 625 | 624 | 623 | 540 | Serine/threonine-protein kinase TNNI3K |
| 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 |
|---|