| 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 | 4YFIA | Q59H18 | 441 | 726 | 835.0 | 4CW:801 | Type1 | Inactive | DFGin | 7.1477 | 14.0773 | BLAminus | -134.84, 175.79 | 58.1, 92.29 | -99.47, 27.9 | 285.94, 73.67 | -68.71, -26.95 | in-in | in | 8.2146 | Saltbr-in | 2.9555 | HRD-in | -84.08, -48.18 | 75.05, 0.66 | in-in-out | SNCiio | in-out | ActLoopNT-in | 3.0202 | ActLoopCT-out | nonTYR | APEdihe_aaiai | APEdist_nnno | APE10-dihe-na | 999.0, 999.0 | APE9-dihe-na | 999.0, -162.01 | APE8-dihe-in | -79.92, 138.7 | APE8-rot-na | 192.61 | APE67-dihe-in | -56.79, -31.79 | -77.63, -30.03 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-none | 999.0 | APE9-dist-out | 26.9145 | None | None | None | XRAY | 2.7 | 0.217 | 0.261 | A | 330.0 | 268.0 | 18 | 29 | 18 | 11 | [[463, 721]] | 1.0 | 4yfi | TKL_TNNI3K_HUMAN | TKL | 2.1e-77 | 266.2 | 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 | 4YFIB | Q59H18 | 451 | 729 | 835.0 | 4CW:801 | Type1 | Inactive | DFGin | 7.0749 | 14.5653 | BLAminus | -121.54, 177.03 | 56.79, 87.27 | -99.8, 31.09 | 284.15, 68.4 | -68.89, -25.59 | in-in | in | 8.5901 | Saltbr-in | 2.8471 | HRD-in | -63.87, -47.95 | 70.39, 1.06 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.9046 | ActLoopCT-out | nonTYR | APEdihe_aaoai | APEdist_nnno | APE10-dihe-na | 999.0, 999.0 | APE9-dihe-na | 999.0, -68.32 | APE8-dihe-out | -66.38, -17.23 | APE8-rot-na | 67.92 | APE67-dihe-in | -62.92, -25.6 | -64.1, -31.48 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-none | 999.0 | APE9-dist-out | 30.8384 | None | None | None | XRAY | 2.7 | 0.217 | 0.261 | B | 330.0 | 262.0 | 17 | 29 | 19 | 10 | [[463, 721]] | 1.0 | 4yfi | TKL_TNNI3K_HUMAN | TKL | 2.1e-77 | 266.2 | 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 | 4YFIC | Q59H18 | 441 | 726 | 835.0 | 4CW:801 | Type1 | Inactive | DFGin | 7.029 | 14.0468 | BLAminus | -119.12, 170.12 | 62.73, 94.49 | -102.41, 18.34 | 284.63, 68.96 | -60.63, -21.51 | in-in | in | 8.3499 | Saltbr-in | 2.7933 | HRD-in | -81.8, -51.75 | 73.29, 8.93 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.9284 | ActLoopCT-out | nonTYR | APEdihe_aaiai | APEdist_nnno | APE10-dihe-na | 999.0, 999.0 | APE9-dihe-na | 999.0, -166.83 | APE8-dihe-in | -85.58, 133.55 | APE8-rot-na | 183.6 | APE67-dihe-in | -63.19, -28.24 | -74.71, -24.38 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-none | 999.0 | APE9-dist-out | 27.3503 | None | None | None | XRAY | 2.7 | 0.217 | 0.261 | C | 330.0 | 269.0 | 17 | 29 | 19 | 10 | [[463, 721]] | 1.0 | 4yfi | TKL_TNNI3K_HUMAN | TKL | 2.1e-77 | 266.2 | 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 | 4YFID | Q59H18 | 451 | 729 | 835.0 | 4CW:801 | Type1 | Inactive | DFGin | 6.9827 | 14.4988 | BLAminus | -132.3, -176.25 | 57.34, 76.41 | -86.69, 32.24 | 287.65, 73.81 | -68.32, -29.28 | in-in | in | 8.4514 | Saltbr-in | 3.0842 | HRD-in | -70.86, -49.92 | 74.99, 12.01 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.8072 | ActLoopCT-out | nonTYR | APEdihe_aaoai | APEdist_nnno | APE10-dihe-na | 999.0, 999.0 | APE9-dihe-na | 999.0, -77.73 | APE8-dihe-out | -78.4, -7.06 | APE8-rot-na | 86.27 | APE67-dihe-in | -68.67, -26.29 | -70.22, -28.38 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-none | 999.0 | APE9-dist-out | 31.2769 | None | None | None | XRAY | 2.7 | 0.217 | 0.261 | D | 330.0 | 261.0 | 18 | 29 | 19 | 10 | [[463, 721]] | 1.0 | 4yfi | TKL_TNNI3K_HUMAN | TKL | 2.1e-77 | 266.2 | 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 | 4YFIA | Q59H18 | 441 | 726 | 835.0 | 4CW:801 | Type1 | Inactive | DFGin | 7.1477 | 14.0773 | BLAminus | -134.84, 175.79 | 58.1, 92.29 | -99.47, 27.9 | 285.94, 73.67 | -68.71, -26.95 | in-in | in | 8.2146 | Saltbr-in | 2.9555 | HRD-in | -84.08, -48.18 | 75.05, 0.66 | in-in-out | SNCiio | in-out | ActLoopNT-in | 3.0202 | ActLoopCT-out | nonTYR | APEdihe_aaiai | APEdist_nnno | APE10-dihe-na | 999.0, 999.0 | APE9-dihe-na | 999.0, -162.01 | APE8-dihe-in | -79.92, 138.7 | APE8-rot-na | 192.61 | APE67-dihe-in | -56.79, -31.79 | -77.63, -30.03 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-none | 999.0 | APE9-dist-out | 26.9145 | None | None | None | XRAY | 2.7 | 0.217 | 0.261 | A | 330.0 | 268.0 | 18 | 29 | 18 | 11 | [[463, 721]] | 1.0 | 4yfi | Homo sapiens | TKL_TNNI3K_HUMAN | TKL | 2.1e-77 | 266.2 | 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 | 4YFIB | Q59H18 | 451 | 729 | 835.0 | 4CW:801 | Type1 | Inactive | DFGin | 7.0749 | 14.5653 | BLAminus | -121.54, 177.03 | 56.79, 87.27 | -99.8, 31.09 | 284.15, 68.4 | -68.89, -25.59 | in-in | in | 8.5901 | Saltbr-in | 2.8471 | HRD-in | -63.87, -47.95 | 70.39, 1.06 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.9046 | ActLoopCT-out | nonTYR | APEdihe_aaoai | APEdist_nnno | APE10-dihe-na | 999.0, 999.0 | APE9-dihe-na | 999.0, -68.32 | APE8-dihe-out | -66.38, -17.23 | APE8-rot-na | 67.92 | APE67-dihe-in | -62.92, -25.6 | -64.1, -31.48 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-none | 999.0 | APE9-dist-out | 30.8384 | None | None | None | XRAY | 2.7 | 0.217 | 0.261 | B | 330.0 | 262.0 | 17 | 29 | 19 | 10 | [[463, 721]] | 1.0 | 4yfi | Homo sapiens | TKL_TNNI3K_HUMAN | TKL | 2.1e-77 | 266.2 | 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 | 4YFIC | Q59H18 | 441 | 726 | 835.0 | 4CW:801 | Type1 | Inactive | DFGin | 7.029 | 14.0468 | BLAminus | -119.12, 170.12 | 62.73, 94.49 | -102.41, 18.34 | 284.63, 68.96 | -60.63, -21.51 | in-in | in | 8.3499 | Saltbr-in | 2.7933 | HRD-in | -81.8, -51.75 | 73.29, 8.93 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.9284 | ActLoopCT-out | nonTYR | APEdihe_aaiai | APEdist_nnno | APE10-dihe-na | 999.0, 999.0 | APE9-dihe-na | 999.0, -166.83 | APE8-dihe-in | -85.58, 133.55 | APE8-rot-na | 183.6 | APE67-dihe-in | -63.19, -28.24 | -74.71, -24.38 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-none | 999.0 | APE9-dist-out | 27.3503 | None | None | None | XRAY | 2.7 | 0.217 | 0.261 | C | 330.0 | 269.0 | 17 | 29 | 19 | 10 | [[463, 721]] | 1.0 | 4yfi | Homo sapiens | TKL_TNNI3K_HUMAN | TKL | 2.1e-77 | 266.2 | 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 | 4YFID | Q59H18 | 451 | 729 | 835.0 | 4CW:801 | Type1 | Inactive | DFGin | 6.9827 | 14.4988 | BLAminus | -132.3, -176.25 | 57.34, 76.41 | -86.69, 32.24 | 287.65, 73.81 | -68.32, -29.28 | in-in | in | 8.4514 | Saltbr-in | 3.0842 | HRD-in | -70.86, -49.92 | 74.99, 12.01 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.8072 | ActLoopCT-out | nonTYR | APEdihe_aaoai | APEdist_nnno | APE10-dihe-na | 999.0, 999.0 | APE9-dihe-na | 999.0, -77.73 | APE8-dihe-out | -78.4, -7.06 | APE8-rot-na | 86.27 | APE67-dihe-in | -68.67, -26.29 | -70.22, -28.38 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-none | 999.0 | APE9-dist-out | 31.2769 | None | None | None | XRAY | 2.7 | 0.217 | 0.261 | D | 330.0 | 261.0 | 18 | 29 | 19 | 10 | [[463, 721]] | 1.0 | 4yfi | Homo sapiens | TKL_TNNI3K_HUMAN | TKL | 2.1e-77 | 266.2 | 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 |
|---|