| 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 | 3V5LA | Q08881 | 357 | 616 | 620.0 | 0G1:60701 | Type1 | Inactive | DFGin | 4.1338 | 14.7047 | BLAplus | -115.85, 171.01 | 48.27, 46.07 | -96.05, 11.31 | 58.96, 91.61 | -107.31, 8.54 | out-none | out | 10.1449 | Saltbr-none | 999.0 | HRD-in | -65.69, -47.42 | 74.14, -16.58 | none-none-none | SNCnnn | 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, 142.05 | APE8-rot-na | 332.57 | APE67-dihe-in | -62.15, -19.85 | -69.15, -18.57 | APE12-dist-na | 999.0 | APE11-dist-na | 999.0 | APE10-dist-na | 999.0 | APE9-dist-none | 999.0 | None | None | None | XRAY | 1.86 | 0.232 | 0.252 | A | 266.0 | 238.0 | 22 | 29 | 13 | 16 | [[363, 614]] | 1.0 | 3v5l | 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 | 3V5LB | Q08881 | 357 | 619 | 620.0 | 0G1:60701 | Type1 | Inactive | DFGin | 4.1399 | 14.6499 | BLAplus | -115.25, 172.45 | 47.57, 47.21 | -97.73, 8.05 | 59.86, 89.65 | -107.55, 11.69 | out-out | out | 10.0753 | Saltbr-out | 5.3889 | HRD-in | -66.97, -47.64 | 75.37, -19.95 | 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, -28.51 | APE8-rot-na | 26.38 | APE67-dihe-in | -61.19, -18.82 | -58.23, -34.87 | APE12-dist-na | 999.0 | APE11-dist-na | 999.0 | APE10-dist-na | 999.0 | APE9-dist-none | 999.0 | None | None | None | XRAY | 1.86 | 0.232 | 0.252 | B | 266.0 | 239.0 | 24 | 29 | 13 | 16 | [[363, 614]] | 1.0 | 3v5l | 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 | 3V5LC | Q08881 | 357 | 616 | 620.0 | 0G1:60701 | Type1 | Inactive | DFGin | 4.151 | 14.49 | BLAplus | -119.43, 171.57 | 47.86, 45.98 | -95.4, 6.02 | 56.69, 90.24 | -103.84, 4.9 | in-out | in | 9.9164 | Saltbr-out | 5.4292 | HRD-in | -67.67, -52.97 | 78.54, -20.18 | out-none-out | SNCono | none-out | ActLoopNT-none | 999.0 | ActLoopCT-out | TYR | APEdihe_nnoai | APEdist_aaao | APE10-dihe-none | 999.0, 999.0 | APE9-dihe-none | 999.0, 134.05 | APE8-dihe-out | -64.27, -25.66 | APE8-rot-na | 343.98 | APE67-dihe-in | -64.94, -21.62 | -63.54, -24.83 | APE12-dist-na | 999.0 | APE11-dist-na | 999.0 | APE10-dist-na | 999.0 | APE9-dist-out | 11.2825 | None | None | None | XRAY | 1.86 | 0.232 | 0.252 | C | 266.0 | 242.0 | 18 | 29 | 14 | 15 | [[363, 614]] | 1.0 | 3v5l | 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 | 3V5LD | Q08881 | 357 | 619 | 620.0 | 0G1:60701 | Type1 | Inactive | DFGin | 4.1221 | 14.5366 | BLAplus | -118.73, 170.46 | 50.59, 44.65 | -96.3, 5.17 | 58.81, 89.99 | -103.3, 10.97 | out-out | out | 10.0127 | Saltbr-out | 5.4138 | HRD-in | -69.59, -48.92 | 76.64, -24.59 | out-none-out | SNCono | none-out | ActLoopNT-none | 999.0 | ActLoopCT-out | TYR | APEdihe_nnoai | APEdist_aaao | APE10-dihe-none | 999.0, 999.0 | APE9-dihe-none | 999.0, 84.06 | APE8-dihe-out | -96.47, -61.68 | APE8-rot-na | 21.65 | APE67-dihe-in | -60.91, -18.81 | -64.24, -17.65 | APE12-dist-na | 999.0 | APE11-dist-na | 999.0 | APE10-dist-na | 999.0 | APE9-dist-out | 11.5568 | None | None | None | XRAY | 1.86 | 0.232 | 0.252 | D | 266.0 | 244.0 | 19 | 29 | 13 | 16 | [[363, 614]] | 1.0 | 3v5l | 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 | 3V5LA | Q08881 | 357 | 616 | 620.0 | 0G1:60701 | Type1 | Inactive | DFGin | 4.1338 | 14.7047 | BLAplus | -115.85, 171.01 | 48.27, 46.07 | -96.05, 11.31 | 58.96, 91.61 | -107.31, 8.54 | out-none | out | 10.1449 | Saltbr-none | 999.0 | HRD-in | -65.69, -47.42 | 74.14, -16.58 | none-none-none | SNCnnn | 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, 142.05 | APE8-rot-na | 332.57 | APE67-dihe-in | -62.15, -19.85 | -69.15, -18.57 | APE12-dist-na | 999.0 | APE11-dist-na | 999.0 | APE10-dist-na | 999.0 | APE9-dist-none | 999.0 | None | None | None | XRAY | 1.86 | 0.232 | 0.252 | A | 266.0 | 238.0 | 22 | 29 | 13 | 16 | [[363, 614]] | 1.0 | 3v5l | 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 | 3V5LB | Q08881 | 357 | 619 | 620.0 | 0G1:60701 | Type1 | Inactive | DFGin | 4.1399 | 14.6499 | BLAplus | -115.25, 172.45 | 47.57, 47.21 | -97.73, 8.05 | 59.86, 89.65 | -107.55, 11.69 | out-out | out | 10.0753 | Saltbr-out | 5.3889 | HRD-in | -66.97, -47.64 | 75.37, -19.95 | 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, -28.51 | APE8-rot-na | 26.38 | APE67-dihe-in | -61.19, -18.82 | -58.23, -34.87 | APE12-dist-na | 999.0 | APE11-dist-na | 999.0 | APE10-dist-na | 999.0 | APE9-dist-none | 999.0 | None | None | None | XRAY | 1.86 | 0.232 | 0.252 | B | 266.0 | 239.0 | 24 | 29 | 13 | 16 | [[363, 614]] | 1.0 | 3v5l | 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 | 3V5LC | Q08881 | 357 | 616 | 620.0 | 0G1:60701 | Type1 | Inactive | DFGin | 4.151 | 14.49 | BLAplus | -119.43, 171.57 | 47.86, 45.98 | -95.4, 6.02 | 56.69, 90.24 | -103.84, 4.9 | in-out | in | 9.9164 | Saltbr-out | 5.4292 | HRD-in | -67.67, -52.97 | 78.54, -20.18 | out-none-out | SNCono | none-out | ActLoopNT-none | 999.0 | ActLoopCT-out | TYR | APEdihe_nnoai | APEdist_aaao | APE10-dihe-none | 999.0, 999.0 | APE9-dihe-none | 999.0, 134.05 | APE8-dihe-out | -64.27, -25.66 | APE8-rot-na | 343.98 | APE67-dihe-in | -64.94, -21.62 | -63.54, -24.83 | APE12-dist-na | 999.0 | APE11-dist-na | 999.0 | APE10-dist-na | 999.0 | APE9-dist-out | 11.2825 | None | None | None | XRAY | 1.86 | 0.232 | 0.252 | C | 266.0 | 242.0 | 18 | 29 | 14 | 15 | [[363, 614]] | 1.0 | 3v5l | 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 | 3V5LD | Q08881 | 357 | 619 | 620.0 | 0G1:60701 | Type1 | Inactive | DFGin | 4.1221 | 14.5366 | BLAplus | -118.73, 170.46 | 50.59, 44.65 | -96.3, 5.17 | 58.81, 89.99 | -103.3, 10.97 | out-out | out | 10.0127 | Saltbr-out | 5.4138 | HRD-in | -69.59, -48.92 | 76.64, -24.59 | out-none-out | SNCono | none-out | ActLoopNT-none | 999.0 | ActLoopCT-out | TYR | APEdihe_nnoai | APEdist_aaao | APE10-dihe-none | 999.0, 999.0 | APE9-dihe-none | 999.0, 84.06 | APE8-dihe-out | -96.47, -61.68 | APE8-rot-na | 21.65 | APE67-dihe-in | -60.91, -18.81 | -64.24, -17.65 | APE12-dist-na | 999.0 | APE11-dist-na | 999.0 | APE10-dist-na | 999.0 | APE9-dist-out | 11.5568 | None | None | None | XRAY | 1.86 | 0.232 | 0.252 | D | 266.0 | 244.0 | 19 | 29 | 13 | 16 | [[363, 614]] | 1.0 | 3v5l | 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 |
|---|