| 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 | 7MGJA | Q59H18 | 445 | 726 | 835.0 | ZFS:801 | Type2 | Inactive | DFGout | 14.8582 | 9.5819 | BBAminus | -134.42, -179.18 | -141.04, 112.0 | -72.43, -1.46 | 272.54, 97.9 | 75.05, 22.83 | in-in | in | 7.7537 | Saltbr-in | 2.6724 | HRD-in | -64.15, -45.05 | 73.18, -17.04 | 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, -171.97 | APE8-dihe-in | -104.46, 123.1 | APE8-rot-na | 189.02 | APE67-dihe-in | -59.47, -32.71 | -67.71, -22.35 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-none | 999.0 | APE9-dist-out | 27.3356 | None | None | None | XRAY | 2.95 | 0.197 | 0.228 | A | 330.0 | 262.0 | 20 | 29 | 13 | 16 | [[463, 721]] | 1.0 | 7mgj | TKL_TNNI3K_HUMAN | TKL | 1.9e-77 | 266.4 | 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 | 7MGJB | Q59H18 | 445 | 726 | 835.0 | ZFS:801 | Type2 | Inactive | DFGout | 14.5602 | 9.2473 | BBAminus | -135.63, -179.46 | -142.92, 111.63 | -76.44, -17.08 | 273.4, 86.62 | 76.35, 79.73 | in-in | in | 7.8588 | Saltbr-in | 2.9045 | HRD-in | -64.65, -46.97 | 73.32, -12.56 | in-none-out | SNCino | none-out | ActLoopNT-none | 999.0 | ActLoopCT-out | nonTYR | APEdihe_aaiai | APEdist_nnoo | APE10-dihe-na | 999.0, -80.9 | APE9-dihe-na | 83.07, -177.24 | APE8-dihe-in | -105.62, 120.49 | APE8-rot-na | 192.96 | APE67-dihe-in | -61.56, -34.4 | -69.66, -24.07 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-out | 30.6715 | APE9-dist-out | 26.8043 | None | None | None | XRAY | 2.95 | 0.197 | 0.228 | B | 330.0 | 260.0 | 22 | 29 | 14 | 15 | [[463, 721]] | 1.0 | 7mgj | TKL_TNNI3K_HUMAN | TKL | 1.9e-77 | 266.4 | 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 | 7MGJC | Q59H18 | 445 | 726 | 835.0 | ZFS:801 | Type2 | Inactive | DFGout | 14.6969 | 9.6665 | BBAminus | -137.79, -177.03 | -141.64, 110.69 | -73.01, -3.0 | 273.24, 93.94 | 74.23, 29.77 | in-in | in | 7.8989 | Saltbr-in | 2.91 | HRD-in | -66.15, -44.57 | 73.37, -16.84 | 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, 119.35 | APE8-rot-na | 190.99 | APE67-dihe-in | -61.3, -34.66 | -68.53, -21.6 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-none | 999.0 | APE9-dist-none | 999.0 | None | None | None | XRAY | 2.95 | 0.197 | 0.228 | C | 330.0 | 261.0 | 21 | 29 | 13 | 16 | [[463, 721]] | 1.0 | 7mgj | TKL_TNNI3K_HUMAN | TKL | 1.9e-77 | 266.4 | 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 | 7MGJD | Q59H18 | 445 | 726 | 835.0 | ZFS:801 | Type2 | Inactive | DFGout | 14.5321 | 9.688 | BBAminus | -144.03, 179.53 | -144.45, 109.82 | -73.53, -9.7 | 276.8, 74.13 | 75.18, 64.15 | in-in | in | 7.7498 | Saltbr-in | 2.6424 | HRD-in | -65.07, -45.42 | 74.54, -12.51 | in-none-out | SNCino | none-out | ActLoopNT-none | 999.0 | ActLoopCT-out | nonTYR | APEdihe_aaiai | APEdist_nnoo | APE10-dihe-na | 999.0, -81.24 | APE9-dihe-na | 82.5, -174.24 | APE8-dihe-in | -103.92, 121.0 | APE8-rot-na | 193.26 | APE67-dihe-in | -60.88, -34.79 | -69.71, -24.61 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-out | 31.3479 | APE9-dist-out | 27.2314 | None | None | None | XRAY | 2.95 | 0.197 | 0.228 | D | 330.0 | 261.0 | 21 | 29 | 15 | 14 | [[463, 721]] | 1.0 | 7mgj | TKL_TNNI3K_HUMAN | TKL | 1.9e-77 | 266.4 | 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 | 7MGJA | Q59H18 | 445 | 726 | 835.0 | ZFS:801 | Type2 | Inactive | DFGout | 14.8582 | 9.5819 | BBAminus | -134.42, -179.18 | -141.04, 112.0 | -72.43, -1.46 | 272.54, 97.9 | 75.05, 22.83 | in-in | in | 7.7537 | Saltbr-in | 2.6724 | HRD-in | -64.15, -45.05 | 73.18, -17.04 | 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, -171.97 | APE8-dihe-in | -104.46, 123.1 | APE8-rot-na | 189.02 | APE67-dihe-in | -59.47, -32.71 | -67.71, -22.35 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-none | 999.0 | APE9-dist-out | 27.3356 | None | None | None | XRAY | 2.95 | 0.197 | 0.228 | A | 330.0 | 262.0 | 20 | 29 | 13 | 16 | [[463, 721]] | 1.0 | 7mgj | Homo sapiens | TKL_TNNI3K_HUMAN | TKL | 1.9e-77 | 266.4 | 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 | 7MGJB | Q59H18 | 445 | 726 | 835.0 | ZFS:801 | Type2 | Inactive | DFGout | 14.5602 | 9.2473 | BBAminus | -135.63, -179.46 | -142.92, 111.63 | -76.44, -17.08 | 273.4, 86.62 | 76.35, 79.73 | in-in | in | 7.8588 | Saltbr-in | 2.9045 | HRD-in | -64.65, -46.97 | 73.32, -12.56 | in-none-out | SNCino | none-out | ActLoopNT-none | 999.0 | ActLoopCT-out | nonTYR | APEdihe_aaiai | APEdist_nnoo | APE10-dihe-na | 999.0, -80.9 | APE9-dihe-na | 83.07, -177.24 | APE8-dihe-in | -105.62, 120.49 | APE8-rot-na | 192.96 | APE67-dihe-in | -61.56, -34.4 | -69.66, -24.07 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-out | 30.6715 | APE9-dist-out | 26.8043 | None | None | None | XRAY | 2.95 | 0.197 | 0.228 | B | 330.0 | 260.0 | 22 | 29 | 14 | 15 | [[463, 721]] | 1.0 | 7mgj | Homo sapiens | TKL_TNNI3K_HUMAN | TKL | 1.9e-77 | 266.4 | 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 | 7MGJC | Q59H18 | 445 | 726 | 835.0 | ZFS:801 | Type2 | Inactive | DFGout | 14.6969 | 9.6665 | BBAminus | -137.79, -177.03 | -141.64, 110.69 | -73.01, -3.0 | 273.24, 93.94 | 74.23, 29.77 | in-in | in | 7.8989 | Saltbr-in | 2.91 | HRD-in | -66.15, -44.57 | 73.37, -16.84 | 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, 119.35 | APE8-rot-na | 190.99 | APE67-dihe-in | -61.3, -34.66 | -68.53, -21.6 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-none | 999.0 | APE9-dist-none | 999.0 | None | None | None | XRAY | 2.95 | 0.197 | 0.228 | C | 330.0 | 261.0 | 21 | 29 | 13 | 16 | [[463, 721]] | 1.0 | 7mgj | Homo sapiens | TKL_TNNI3K_HUMAN | TKL | 1.9e-77 | 266.4 | 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 | 7MGJD | Q59H18 | 445 | 726 | 835.0 | ZFS:801 | Type2 | Inactive | DFGout | 14.5321 | 9.688 | BBAminus | -144.03, 179.53 | -144.45, 109.82 | -73.53, -9.7 | 276.8, 74.13 | 75.18, 64.15 | in-in | in | 7.7498 | Saltbr-in | 2.6424 | HRD-in | -65.07, -45.42 | 74.54, -12.51 | in-none-out | SNCino | none-out | ActLoopNT-none | 999.0 | ActLoopCT-out | nonTYR | APEdihe_aaiai | APEdist_nnoo | APE10-dihe-na | 999.0, -81.24 | APE9-dihe-na | 82.5, -174.24 | APE8-dihe-in | -103.92, 121.0 | APE8-rot-na | 193.26 | APE67-dihe-in | -60.88, -34.79 | -69.71, -24.61 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-out | 31.3479 | APE9-dist-out | 27.2314 | None | None | None | XRAY | 2.95 | 0.197 | 0.228 | D | 330.0 | 261.0 | 21 | 29 | 15 | 14 | [[463, 721]] | 1.0 | 7mgj | Homo sapiens | TKL_TNNI3K_HUMAN | TKL | 1.9e-77 | 266.4 | 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 |
|---|