| 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 | 7MGKA | Q59H18 | 444 | 726 | 835.0 | ZGD:801 | Type2 | Inactive | DFGout | 15.0236 | 10.3486 | BBAminus | -136.11, -167.43 | -161.58, 104.18 | -68.96, -17.69 | 283.06, 90.36 | 80.74, 69.7 | in-in | in | 7.8889 | Saltbr-in | 3.1395 | HRD-in | -62.84, -47.58 | 72.31, -16.61 | in-none-out | SNCino | none-out | ActLoopNT-none | 999.0 | ActLoopCT-out | nonTYR | APEdihe_aaiai | APEdist_nnno | APE10-dihe-na | 999.0, 999.0 | APE9-dihe-na | 999.0, -171.11 | APE8-dihe-in | -86.32, 127.94 | APE8-rot-na | 191.21 | APE67-dihe-in | -60.28, -29.5 | -75.53, -21.14 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-none | 999.0 | APE9-dist-out | 27.1525 | None | None | None | XRAY | 3.1 | 0.198 | 0.239 | A | 311.0 | 262.0 | 21 | 29 | 13 | 16 | [[463, 721]] | 1.0 | 7mgk | TKL_TNNI3K_HUMAN | TKL | 1.5e-77 | 266.7 | 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 | 7MGKB | Q59H18 | 444 | 727 | 835.0 | ZGD:801 | Type2 | Inactive | DFGout | 14.6369 | 9.2616 | BBAminus | -136.1, -166.0 | -163.89, 103.37 | -69.12, -14.28 | 283.44, 87.76 | 84.95, 110.73 | in-in | in | 8.2266 | Saltbr-in | 3.0963 | HRD-in | -63.33, -46.59 | 72.46, -18.58 | in-none-out | SNCino | none-out | ActLoopNT-none | 999.0 | ActLoopCT-out | nonTYR | APEdihe_aaiai | APEdist_nnno | APE10-dihe-na | 999.0, 999.0 | APE9-dihe-na | 999.0, -171.17 | APE8-dihe-in | -84.68, 125.14 | APE8-rot-na | 191.2 | APE67-dihe-in | -61.15, -29.7 | -78.96, -24.17 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-none | 999.0 | APE9-dist-out | 26.9334 | None | None | None | XRAY | 3.1 | 0.198 | 0.239 | B | 311.0 | 261.0 | 23 | 29 | 13 | 16 | [[463, 721]] | 1.0 | 7mgk | TKL_TNNI3K_HUMAN | TKL | 1.5e-77 | 266.7 | 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 | 7MGKC | Q59H18 | 445 | 726 | 835.0 | ZGD:801 | Type2 | Inactive | DFGout | 15.2687 | 10.0615 | BBAminus | -135.81, -167.53 | -162.54, 105.05 | -66.31, -16.16 | 281.98, 90.65 | 80.81, 29.43 | in-in | in | 8.0128 | Saltbr-in | 3.0708 | HRD-in | -63.3, -46.14 | 71.73, -18.15 | in-none-none | SNCinn | none-none | ActLoopNT-none | 999.0 | ActLoopCT-none | nonTYR | APEdihe_aanai | APEdist_nnnn | APE10-dihe-na | 999.0, 999.0 | APE9-dihe-na | 999.0, 999.0 | APE8-dihe-none | 999.0, 128.83 | APE8-rot-na | 191.34 | APE67-dihe-in | -60.85, -29.89 | -76.21, -23.31 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-none | 999.0 | APE9-dist-none | 999.0 | None | None | None | XRAY | 3.1 | 0.198 | 0.239 | C | 311.0 | 260.0 | 22 | 29 | 13 | 16 | [[463, 721]] | 1.0 | 7mgk | TKL_TNNI3K_HUMAN | TKL | 1.5e-77 | 266.7 | 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 | 7MGKD | Q59H18 | 444 | 727 | 835.0 | ZGD:801 | Type2 | Inactive | DFGout | 14.8417 | 9.6948 | BBAminus | -121.51, -163.82 | -171.47, 92.6 | -57.07, -16.06 | 289.23, 82.11 | 84.14, 81.99 | in-in | in | 8.1085 | Saltbr-in | 2.8017 | HRD-in | -61.83, -47.27 | 63.18, 0.84 | in-none-out | SNCino | none-out | ActLoopNT-none | 999.0 | ActLoopCT-out | nonTYR | APEdihe_aaiai | APEdist_nnoo | APE10-dihe-na | 999.0, -105.6 | APE9-dihe-na | 75.02, 174.66 | APE8-dihe-in | -97.98, 119.78 | APE8-rot-na | 187.47 | APE67-dihe-in | -53.23, -38.91 | -67.14, -31.62 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-out | 30.6699 | APE9-dist-out | 26.8313 | None | None | None | XRAY | 3.1 | 0.198 | 0.239 | D | 311.0 | 263.0 | 21 | 29 | 15 | 14 | [[463, 721]] | 1.0 | 7mgk | TKL_TNNI3K_HUMAN | TKL | 1.5e-77 | 266.7 | 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 | 7MGKA | Q59H18 | 444 | 726 | 835.0 | ZGD:801 | Type2 | Inactive | DFGout | 15.0236 | 10.3486 | BBAminus | -136.11, -167.43 | -161.58, 104.18 | -68.96, -17.69 | 283.06, 90.36 | 80.74, 69.7 | in-in | in | 7.8889 | Saltbr-in | 3.1395 | HRD-in | -62.84, -47.58 | 72.31, -16.61 | in-none-out | SNCino | none-out | ActLoopNT-none | 999.0 | ActLoopCT-out | nonTYR | APEdihe_aaiai | APEdist_nnno | APE10-dihe-na | 999.0, 999.0 | APE9-dihe-na | 999.0, -171.11 | APE8-dihe-in | -86.32, 127.94 | APE8-rot-na | 191.21 | APE67-dihe-in | -60.28, -29.5 | -75.53, -21.14 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-none | 999.0 | APE9-dist-out | 27.1525 | None | None | None | XRAY | 3.1 | 0.198 | 0.239 | A | 311.0 | 262.0 | 21 | 29 | 13 | 16 | [[463, 721]] | 1.0 | 7mgk | Homo sapiens | TKL_TNNI3K_HUMAN | TKL | 1.5e-77 | 266.7 | 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 | 7MGKB | Q59H18 | 444 | 727 | 835.0 | ZGD:801 | Type2 | Inactive | DFGout | 14.6369 | 9.2616 | BBAminus | -136.1, -166.0 | -163.89, 103.37 | -69.12, -14.28 | 283.44, 87.76 | 84.95, 110.73 | in-in | in | 8.2266 | Saltbr-in | 3.0963 | HRD-in | -63.33, -46.59 | 72.46, -18.58 | in-none-out | SNCino | none-out | ActLoopNT-none | 999.0 | ActLoopCT-out | nonTYR | APEdihe_aaiai | APEdist_nnno | APE10-dihe-na | 999.0, 999.0 | APE9-dihe-na | 999.0, -171.17 | APE8-dihe-in | -84.68, 125.14 | APE8-rot-na | 191.2 | APE67-dihe-in | -61.15, -29.7 | -78.96, -24.17 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-none | 999.0 | APE9-dist-out | 26.9334 | None | None | None | XRAY | 3.1 | 0.198 | 0.239 | B | 311.0 | 261.0 | 23 | 29 | 13 | 16 | [[463, 721]] | 1.0 | 7mgk | Homo sapiens | TKL_TNNI3K_HUMAN | TKL | 1.5e-77 | 266.7 | 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 | 7MGKC | Q59H18 | 445 | 726 | 835.0 | ZGD:801 | Type2 | Inactive | DFGout | 15.2687 | 10.0615 | BBAminus | -135.81, -167.53 | -162.54, 105.05 | -66.31, -16.16 | 281.98, 90.65 | 80.81, 29.43 | in-in | in | 8.0128 | Saltbr-in | 3.0708 | HRD-in | -63.3, -46.14 | 71.73, -18.15 | in-none-none | SNCinn | none-none | ActLoopNT-none | 999.0 | ActLoopCT-none | nonTYR | APEdihe_aanai | APEdist_nnnn | APE10-dihe-na | 999.0, 999.0 | APE9-dihe-na | 999.0, 999.0 | APE8-dihe-none | 999.0, 128.83 | APE8-rot-na | 191.34 | APE67-dihe-in | -60.85, -29.89 | -76.21, -23.31 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-none | 999.0 | APE9-dist-none | 999.0 | None | None | None | XRAY | 3.1 | 0.198 | 0.239 | C | 311.0 | 260.0 | 22 | 29 | 13 | 16 | [[463, 721]] | 1.0 | 7mgk | Homo sapiens | TKL_TNNI3K_HUMAN | TKL | 1.5e-77 | 266.7 | 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 | 7MGKD | Q59H18 | 444 | 727 | 835.0 | ZGD:801 | Type2 | Inactive | DFGout | 14.8417 | 9.6948 | BBAminus | -121.51, -163.82 | -171.47, 92.6 | -57.07, -16.06 | 289.23, 82.11 | 84.14, 81.99 | in-in | in | 8.1085 | Saltbr-in | 2.8017 | HRD-in | -61.83, -47.27 | 63.18, 0.84 | in-none-out | SNCino | none-out | ActLoopNT-none | 999.0 | ActLoopCT-out | nonTYR | APEdihe_aaiai | APEdist_nnoo | APE10-dihe-na | 999.0, -105.6 | APE9-dihe-na | 75.02, 174.66 | APE8-dihe-in | -97.98, 119.78 | APE8-rot-na | 187.47 | APE67-dihe-in | -53.23, -38.91 | -67.14, -31.62 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-out | 30.6699 | APE9-dist-out | 26.8313 | None | None | None | XRAY | 3.1 | 0.198 | 0.239 | D | 311.0 | 263.0 | 21 | 29 | 15 | 14 | [[463, 721]] | 1.0 | 7mgk | Homo sapiens | TKL_TNNI3K_HUMAN | TKL | 1.5e-77 | 266.7 | 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 |
|---|