| 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 | 1SNUA | Q08881 | 357 | 619 | 620.0 | STU:301 | Type1 | Inactive | DFGin | 5.4095 | 13.5857 | BLBplus | -121.03, -147.07 | 39.99, 19.77 | -95.61, 161.03 | 65.42, 97.15 | 81.16, 999.0 | out-out | out | 10.9852 | Saltbr-out | 7.7298 | HRD-out | -99.78, 92.32 | -72.7, 37.05 | 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, 62.98 | APE8-rot-na | 339.02 | APE67-dihe-in | -71.29, -26.27 | -59.31, -15.2 | APE12-dist-na | 999.0 | APE11-dist-na | 999.0 | APE10-dist-na | 999.0 | APE9-dist-none | 999.0 | None | None | None | XRAY | 2.5 | 0.262 | 0.295 | A | 264.0 | 245.0 | 18 | 29 | 11 | 18 | [[363, 614]] | 1.0 | 1snu | 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 | 1SNUB | Q08881 | 358 | 617 | 620.0 | STU:621 | Type1 | Inactive | DFGin | 5.3215 | 13.3612 | None | -135.24, -161.39 | 47.41, 33.44 | -112.08, 999.0 | 66.07, 77.87 | 999.0, 999.0 | out-out | out | 11.1179 | Saltbr-out | 7.4836 | HRD-out | -85.26, 96.7 | -69.16, 21.34 | 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, 61.67 | APE8-rot-na | 31.48 | APE67-dihe-in | -68.53, -31.16 | -49.5, -27.81 | APE12-dist-na | 999.0 | APE11-dist-na | 999.0 | APE10-dist-na | 999.0 | APE9-dist-none | 999.0 | None | None | None | XRAY | 2.5 | 0.262 | 0.295 | B | 264.0 | 241.0 | 19 | 29 | 10 | 19 | [[363, 614]] | 1.0 | 1snu | 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 | 1SNUA | Q08881 | 357 | 619 | 620.0 | STU:301 | Type1 | Inactive | DFGin | 5.4095 | 13.5857 | BLBplus | -121.03, -147.07 | 39.99, 19.77 | -95.61, 161.03 | 65.42, 97.15 | 81.16, 999.0 | out-out | out | 10.9852 | Saltbr-out | 7.7298 | HRD-out | -99.78, 92.32 | -72.7, 37.05 | 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, 62.98 | APE8-rot-na | 339.02 | APE67-dihe-in | -71.29, -26.27 | -59.31, -15.2 | APE12-dist-na | 999.0 | APE11-dist-na | 999.0 | APE10-dist-na | 999.0 | APE9-dist-none | 999.0 | None | None | None | XRAY | 2.5 | 0.262 | 0.295 | A | 264.0 | 245.0 | 18 | 29 | 11 | 18 | [[363, 614]] | 1.0 | 1snu | 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 | 1SNUB | Q08881 | 358 | 617 | 620.0 | STU:621 | Type1 | Inactive | DFGin | 5.3215 | 13.3612 | None | -135.24, -161.39 | 47.41, 33.44 | -112.08, 999.0 | 66.07, 77.87 | 999.0, 999.0 | out-out | out | 11.1179 | Saltbr-out | 7.4836 | HRD-out | -85.26, 96.7 | -69.16, 21.34 | 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, 61.67 | APE8-rot-na | 31.48 | APE67-dihe-in | -68.53, -31.16 | -49.5, -27.81 | APE12-dist-na | 999.0 | APE11-dist-na | 999.0 | APE10-dist-na | 999.0 | APE9-dist-none | 999.0 | None | None | None | XRAY | 2.5 | 0.262 | 0.295 | B | 264.0 | 241.0 | 19 | 29 | 10 | 19 | [[363, 614]] | 1.0 | 1snu | 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 |
|---|