| 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 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| TYR | ITK | ITK_HUMAN | AF-Q08881-K1A | Q08881 | 355 | 620 | 620.0 | No_ligand | No_ligand | Active | DFGin | 6.8214 | 13.9075 | BLAminus | -136.24, -175.79 | 55.48, 69.15 | -84.68, 14.38 | 297.44, 87.73 | -59.11, -31.45 | in-in | in | 8.5169 | Saltbr-in | 2.6683 | HRD-in | -76.35, -40.21 | 67.29, -20.01 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.9949 | ActLoopCT-in | TYR | APEdihe_iiiai | APEdist_aaai | APE10-dihe-in | -76.3, 148.47 | APE9-dihe-in | -144.93, 156.29 | APE8-dihe-in | -75.22, 86.83 | APE8-rot-na | 32.7 | APE67-dihe-in | -68.82, -16.14 | -43.59, -41.61 | APE12-dist-na | 14.8323 | APE11-dist-na | 9.9539 | APE10-dist-na | 11.6241 | APE9-dist-in | 6.7433 | None | None | None | AF2 | -1.0 | 1.0 | 1.0 | A | 266.0 | 266.0 | 0 | 29 | 29 | 0 | [[363, 614]] | 1.0 | AF-Q08881-K1 | TYR_ITK_HUMAN | TYR | 9.4e-93 | 316.2 | 1.0 | 260.0 | 260.0 | 499 | 500 | 501 | 503 | 505 | 391 | 406 | 410 | 479 | 481 | 480 | 482.0 | 540 | 528 | 523 | 522 | 521 | 520 | 519 | 518 | 517 | 436 | Tyrosine-protein kinase ITK/TSK |
| TYR | ITK | ITK_HUMAN | AF-Q08881-K3A | Q08881 | 355 | 620 | 620.0 | No_ligand | No_ligand | Active | DFGin | 6.5024 | 13.9854 | BLAminus | -144.79, -174.87 | 55.86, 66.43 | -79.5, 8.16 | 297.06, 87.75 | -59.87, -25.16 | in-in | in | 9.038 | Saltbr-in | 2.7194 | HRD-in | -79.2, -42.03 | 68.19, -14.89 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.8904 | ActLoopCT-in | TYR | APEdihe_iiiai | APEdist_aaai | APE10-dihe-in | -70.4, 141.24 | APE9-dihe-in | -149.38, 158.97 | APE8-dihe-in | -78.23, 79.46 | APE8-rot-na | 37.36 | APE67-dihe-in | -71.52, -13.15 | -44.16, -41.92 | APE12-dist-na | 13.8458 | APE11-dist-na | 9.0808 | APE10-dist-na | 9.903 | APE9-dist-in | 5.7563 | None | None | None | AF2 | -1.0 | 1.0 | 1.0 | A | 266.0 | 266.0 | 0 | 29 | 29 | 0 | [[363, 614]] | 1.0 | AF-Q08881-K3 | TYR_ITK_HUMAN | TYR | 9.4e-93 | 316.2 | 1.0 | 260.0 | 260.0 | 499 | 500 | 501 | 503 | 505 | 391 | 406 | 410 | 479 | 481 | 480 | 482.0 | 540 | 528 | 523 | 522 | 521 | 520 | 519 | 518 | 517 | 436 | Tyrosine-protein kinase ITK/TSK |
| 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 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| TYR | ITK | ITK_HUMAN | AF-Q08881-K1A | Q08881 | 355 | 620 | 620.0 | No_ligand | No_ligand | Active | DFGin | 6.8214 | 13.9075 | BLAminus | -136.24, -175.79 | 55.48, 69.15 | -84.68, 14.38 | 297.44, 87.73 | -59.11, -31.45 | in-in | in | 8.5169 | Saltbr-in | 2.6683 | HRD-in | -76.35, -40.21 | 67.29, -20.01 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.9949 | ActLoopCT-in | TYR | APEdihe_iiiai | APEdist_aaai | APE10-dihe-in | -76.3, 148.47 | APE9-dihe-in | -144.93, 156.29 | APE8-dihe-in | -75.22, 86.83 | APE8-rot-na | 32.7 | APE67-dihe-in | -68.82, -16.14 | -43.59, -41.61 | APE12-dist-na | 14.8323 | APE11-dist-na | 9.9539 | APE10-dist-na | 11.6241 | APE9-dist-in | 6.7433 | None | None | None | AF2 | -1.0 | 1.0 | 1.0 | A | 266.0 | 266.0 | 0 | 29 | 29 | 0 | [[363, 614]] | 1.0 | AF-Q08881-K1 | Homo sapiens | TYR_ITK_HUMAN | TYR | 9.4e-93 | 316.2 | 1.0 | 260.0 | 260.0 | 499 | 500 | 501 | 503 | 505 | 391 | 406 | 410 | 479 | 481 | 480 | 482.0 | 540 | 528 | 523 | 522 | 521 | 520 | 519 | 518 | 517 | 436 | Tyrosine-protein kinase ITK/TSK |
| TYR | ITK | ITK_HUMAN | AF-Q08881-K3A | Q08881 | 355 | 620 | 620.0 | No_ligand | No_ligand | Active | DFGin | 6.5024 | 13.9854 | BLAminus | -144.79, -174.87 | 55.86, 66.43 | -79.5, 8.16 | 297.06, 87.75 | -59.87, -25.16 | in-in | in | 9.038 | Saltbr-in | 2.7194 | HRD-in | -79.2, -42.03 | 68.19, -14.89 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.8904 | ActLoopCT-in | TYR | APEdihe_iiiai | APEdist_aaai | APE10-dihe-in | -70.4, 141.24 | APE9-dihe-in | -149.38, 158.97 | APE8-dihe-in | -78.23, 79.46 | APE8-rot-na | 37.36 | APE67-dihe-in | -71.52, -13.15 | -44.16, -41.92 | APE12-dist-na | 13.8458 | APE11-dist-na | 9.0808 | APE10-dist-na | 9.903 | APE9-dist-in | 5.7563 | None | None | None | AF2 | -1.0 | 1.0 | 1.0 | A | 266.0 | 266.0 | 0 | 29 | 29 | 0 | [[363, 614]] | 1.0 | AF-Q08881-K3 | Homo sapiens | TYR_ITK_HUMAN | TYR | 9.4e-93 | 316.2 | 1.0 | 260.0 | 260.0 | 499 | 500 | 501 | 503 | 505 | 391 | 406 | 410 | 479 | 481 | 480 | 482.0 | 540 | 528 | 523 | 522 | 521 | 520 | 519 | 518 | 517 | 436 | Tyrosine-protein kinase ITK/TSK |
| 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 |
|---|