| 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 | 4YFFA | Q59H18 | 445 | 726 | 835.0 | 4CV:801 | Type1 | None | DFGin | 6.8965 | 13.8872 | BLAminus | -127.46, 175.49 | 57.0, 94.25 | -101.84, 21.43 | 285.11, 76.86 | -67.58, -12.19 | in-in | in | 8.3049 | Saltbr-in | 2.5732 | HRD-in | -72.29, -48.61 | 68.2, 11.99 | in-in-none | SNCiin | in-none | ActLoopNT-in | 2.7517 | 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, 133.81 | APE8-rot-na | 181.89 | APE67-dihe-in | -64.26, -21.67 | -83.98, -17.01 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-none | 999.0 | APE9-dist-none | 999.0 | None | None | None | XRAY | 3.07 | 0.211 | 0.251 | A | 311.0 | 264.0 | 18 | 29 | 18 | 11 | [[463, 721]] | 1.0 | 4yff | 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 | 4YFFB | Q59H18 | 445 | 726 | 835.0 | 4CV:801 | Type1 | None | DFGin | 6.8476 | 13.8816 | BLAminus | -128.82, 174.1 | 57.67, 94.34 | -100.02, 21.13 | 285.48, 77.01 | -67.5, -10.8 | in-in | in | 8.3585 | Saltbr-in | 2.6026 | HRD-in | -72.09, -48.38 | 68.6, 12.37 | in-in-none | SNCiin | in-none | ActLoopNT-in | 2.7622 | ActLoopCT-none | nonTYR | APEdihe_aanni | APEdist_nnnn | APE10-dihe-na | 999.0, 999.0 | APE9-dihe-na | 999.0, 999.0 | APE8-dihe-none | 999.0, 137.74 | APE8-rot-none | 999.0 | APE67-dihe-in | -59.76, -26.5 | -86.26, -18.43 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-none | 999.0 | APE9-dist-none | 999.0 | None | None | None | XRAY | 3.07 | 0.211 | 0.251 | B | 311.0 | 264.0 | 18 | 29 | 17 | 12 | [[463, 721]] | 1.0 | 4yff | 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 | 4YFFC | Q59H18 | 452 | 725 | 835.0 | 4CV:801 | Type1 | Inactive | DFGin | 6.9042 | 14.2898 | BLAminus | -137.59, 177.85 | 57.57, 83.21 | -93.61, 21.97 | 283.02, 76.58 | -61.87, -21.22 | in-in | in | 8.7546 | Saltbr-in | 2.6479 | HRD-in | -73.89, -42.66 | 73.16, 1.89 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.8756 | ActLoopCT-out | nonTYR | APEdihe_aaoai | APEdist_nooo | APE10-dihe-na | -68.61, 136.84 | APE9-dihe-na | -80.53, -15.93 | APE8-dihe-out | -53.66, -37.06 | APE8-rot-na | 53.41 | APE67-dihe-in | -65.33, -27.85 | -42.42, -33.67 | APE12-dist-none | 999.0 | APE11-dist-out | 28.6607 | APE10-dist-out | 28.0999 | APE9-dist-out | 29.2755 | None | None | None | XRAY | 3.07 | 0.211 | 0.251 | C | 311.0 | 258.0 | 16 | 29 | 21 | 8 | [[463, 721]] | 1.0 | 4yff | 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 | 4YFFD | Q59H18 | 452 | 726 | 835.0 | 4CV:801 | Type1 | Inactive | DFGin | 6.9196 | 14.2606 | BLAminus | -138.19, 176.18 | 59.05, 82.1 | -92.69, 22.93 | 284.26, 76.55 | -62.07, -21.96 | in-in | in | 8.6995 | Saltbr-in | 2.6737 | HRD-in | -72.99, -42.85 | 72.57, 4.93 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.8824 | ActLoopCT-out | nonTYR | APEdihe_aaoai | APEdist_nnno | APE10-dihe-na | 999.0, 999.0 | APE9-dihe-na | 999.0, -20.75 | APE8-dihe-out | -51.62, -40.33 | APE8-rot-na | 51.44 | APE67-dihe-in | -65.2, -25.35 | -42.12, -32.96 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-none | 999.0 | APE9-dist-out | 29.4216 | None | None | None | XRAY | 3.07 | 0.211 | 0.251 | D | 311.0 | 257.0 | 18 | 29 | 19 | 10 | [[463, 721]] | 1.0 | 4yff | 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 | 4YFFA | Q59H18 | 445 | 726 | 835.0 | 4CV:801 | Type1 | None | DFGin | 6.8965 | 13.8872 | BLAminus | -127.46, 175.49 | 57.0, 94.25 | -101.84, 21.43 | 285.11, 76.86 | -67.58, -12.19 | in-in | in | 8.3049 | Saltbr-in | 2.5732 | HRD-in | -72.29, -48.61 | 68.2, 11.99 | in-in-none | SNCiin | in-none | ActLoopNT-in | 2.7517 | 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, 133.81 | APE8-rot-na | 181.89 | APE67-dihe-in | -64.26, -21.67 | -83.98, -17.01 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-none | 999.0 | APE9-dist-none | 999.0 | None | None | None | XRAY | 3.07 | 0.211 | 0.251 | A | 311.0 | 264.0 | 18 | 29 | 18 | 11 | [[463, 721]] | 1.0 | 4yff | 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 | 4YFFB | Q59H18 | 445 | 726 | 835.0 | 4CV:801 | Type1 | None | DFGin | 6.8476 | 13.8816 | BLAminus | -128.82, 174.1 | 57.67, 94.34 | -100.02, 21.13 | 285.48, 77.01 | -67.5, -10.8 | in-in | in | 8.3585 | Saltbr-in | 2.6026 | HRD-in | -72.09, -48.38 | 68.6, 12.37 | in-in-none | SNCiin | in-none | ActLoopNT-in | 2.7622 | ActLoopCT-none | nonTYR | APEdihe_aanni | APEdist_nnnn | APE10-dihe-na | 999.0, 999.0 | APE9-dihe-na | 999.0, 999.0 | APE8-dihe-none | 999.0, 137.74 | APE8-rot-none | 999.0 | APE67-dihe-in | -59.76, -26.5 | -86.26, -18.43 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-none | 999.0 | APE9-dist-none | 999.0 | None | None | None | XRAY | 3.07 | 0.211 | 0.251 | B | 311.0 | 264.0 | 18 | 29 | 17 | 12 | [[463, 721]] | 1.0 | 4yff | 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 | 4YFFC | Q59H18 | 452 | 725 | 835.0 | 4CV:801 | Type1 | Inactive | DFGin | 6.9042 | 14.2898 | BLAminus | -137.59, 177.85 | 57.57, 83.21 | -93.61, 21.97 | 283.02, 76.58 | -61.87, -21.22 | in-in | in | 8.7546 | Saltbr-in | 2.6479 | HRD-in | -73.89, -42.66 | 73.16, 1.89 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.8756 | ActLoopCT-out | nonTYR | APEdihe_aaoai | APEdist_nooo | APE10-dihe-na | -68.61, 136.84 | APE9-dihe-na | -80.53, -15.93 | APE8-dihe-out | -53.66, -37.06 | APE8-rot-na | 53.41 | APE67-dihe-in | -65.33, -27.85 | -42.42, -33.67 | APE12-dist-none | 999.0 | APE11-dist-out | 28.6607 | APE10-dist-out | 28.0999 | APE9-dist-out | 29.2755 | None | None | None | XRAY | 3.07 | 0.211 | 0.251 | C | 311.0 | 258.0 | 16 | 29 | 21 | 8 | [[463, 721]] | 1.0 | 4yff | 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 | 4YFFD | Q59H18 | 452 | 726 | 835.0 | 4CV:801 | Type1 | Inactive | DFGin | 6.9196 | 14.2606 | BLAminus | -138.19, 176.18 | 59.05, 82.1 | -92.69, 22.93 | 284.26, 76.55 | -62.07, -21.96 | in-in | in | 8.6995 | Saltbr-in | 2.6737 | HRD-in | -72.99, -42.85 | 72.57, 4.93 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.8824 | ActLoopCT-out | nonTYR | APEdihe_aaoai | APEdist_nnno | APE10-dihe-na | 999.0, 999.0 | APE9-dihe-na | 999.0, -20.75 | APE8-dihe-out | -51.62, -40.33 | APE8-rot-na | 51.44 | APE67-dihe-in | -65.2, -25.35 | -42.12, -32.96 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-none | 999.0 | APE9-dist-out | 29.4216 | None | None | None | XRAY | 3.07 | 0.211 | 0.251 | D | 311.0 | 257.0 | 18 | 29 | 19 | 10 | [[463, 721]] | 1.0 | 4yff | 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 |
|---|