| 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 | 1SNXA | Q08881 | 357 | 619 | 620.0 | No_ligand | No_ligand | Inactive | DFGin | 5.3728 | 13.4608 | BLBplus | -148.45, -167.42 | 58.81, 12.72 | -82.43, -172.25 | 53.12, 132.58 | 94.98, 999.0 | out-out | out | 11.6603 | Saltbr-out | 7.1783 | HRD-out | -68.86, 105.83 | -82.58, 39.73 | out-none-none | SNConn | none-none | ActLoopNT-none | 999.0 | ActLoopCT-none | TYR | APEdihe_nnnai | APEdist_aaan | APE10-dihe-none | 999.0, 999.0 | APE9-dihe-none | 999.0, 999.0 | APE8-dihe-none | 999.0, 26.12 | APE8-rot-na | 324.61 | APE67-dihe-in | -48.54, -49.15 | -61.72, -27.92 | APE12-dist-na | 999.0 | APE11-dist-na | 999.0 | APE10-dist-na | 999.0 | APE9-dist-none | 999.0 | None | None | None | XRAY | 3.2 | 0.271 | 0.296 | A | 264.0 | 245.0 | 18 | 29 | 11 | 18 | [[363, 614]] | 1.0 | 1snx | TYR_ITK_HUMAN | TYR | 9.2e-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 | 1SNXB | Q08881 | 357 | 619 | 620.0 | No_ligand | No_ligand | Inactive | DFGin | 5.7953 | 13.105 | BLBplus | -168.37, -173.82 | 67.22, 2.08 | -70.51, -158.27 | 49.86, 149.68 | 88.41, 999.0 | out-out | out | 11.3392 | Saltbr-out | 7.4999 | HRD-out | -66.67, 86.47 | -66.74, 48.69 | out-none-none | SNConn | none-none | ActLoopNT-none | 999.0 | ActLoopCT-none | TYR | APEdihe_nnnai | APEdist_aaan | APE10-dihe-none | 999.0, 999.0 | APE9-dihe-none | 999.0, 999.0 | APE8-dihe-none | 999.0, 46.42 | APE8-rot-na | 325.34 | APE67-dihe-in | -35.46, -58.25 | -69.23, -38.36 | APE12-dist-na | 999.0 | APE11-dist-na | 999.0 | APE10-dist-na | 999.0 | APE9-dist-none | 999.0 | None | None | None | XRAY | 3.2 | 0.271 | 0.296 | B | 264.0 | 245.0 | 18 | 29 | 11 | 18 | [[363, 614]] | 1.0 | 1snx | TYR_ITK_HUMAN | TYR | 9.2e-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 | 1SNXA | Q08881 | 357 | 619 | 620.0 | No_ligand | No_ligand | Inactive | DFGin | 5.3728 | 13.4608 | BLBplus | -148.45, -167.42 | 58.81, 12.72 | -82.43, -172.25 | 53.12, 132.58 | 94.98, 999.0 | out-out | out | 11.6603 | Saltbr-out | 7.1783 | HRD-out | -68.86, 105.83 | -82.58, 39.73 | out-none-none | SNConn | none-none | ActLoopNT-none | 999.0 | ActLoopCT-none | TYR | APEdihe_nnnai | APEdist_aaan | APE10-dihe-none | 999.0, 999.0 | APE9-dihe-none | 999.0, 999.0 | APE8-dihe-none | 999.0, 26.12 | APE8-rot-na | 324.61 | APE67-dihe-in | -48.54, -49.15 | -61.72, -27.92 | APE12-dist-na | 999.0 | APE11-dist-na | 999.0 | APE10-dist-na | 999.0 | APE9-dist-none | 999.0 | None | None | None | XRAY | 3.2 | 0.271 | 0.296 | A | 264.0 | 245.0 | 18 | 29 | 11 | 18 | [[363, 614]] | 1.0 | 1snx | Homo sapiens | TYR_ITK_HUMAN | TYR | 9.2e-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 | 1SNXB | Q08881 | 357 | 619 | 620.0 | No_ligand | No_ligand | Inactive | DFGin | 5.7953 | 13.105 | BLBplus | -168.37, -173.82 | 67.22, 2.08 | -70.51, -158.27 | 49.86, 149.68 | 88.41, 999.0 | out-out | out | 11.3392 | Saltbr-out | 7.4999 | HRD-out | -66.67, 86.47 | -66.74, 48.69 | out-none-none | SNConn | none-none | ActLoopNT-none | 999.0 | ActLoopCT-none | TYR | APEdihe_nnnai | APEdist_aaan | APE10-dihe-none | 999.0, 999.0 | APE9-dihe-none | 999.0, 999.0 | APE8-dihe-none | 999.0, 46.42 | APE8-rot-na | 325.34 | APE67-dihe-in | -35.46, -58.25 | -69.23, -38.36 | APE12-dist-na | 999.0 | APE11-dist-na | 999.0 | APE10-dist-na | 999.0 | APE9-dist-none | 999.0 | None | None | None | XRAY | 3.2 | 0.271 | 0.296 | B | 264.0 | 245.0 | 18 | 29 | 11 | 18 | [[363, 614]] | 1.0 | 1snx | Homo sapiens | TYR_ITK_HUMAN | TYR | 9.2e-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 |
|---|