| 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 | ABL1 | ABL1_HUMAN | AF-P00519-K1A | P00519 | 234 | 503 | 1130.0 | No_ligand | No_ligand | Active | DFGin | 6.6789 | 13.6815 | BLAminus | -121.82, -148.36 | 27.66, 69.52 | -83.21, 16.04 | 300.66, 100.42 | -58.22, -38.59 | in-in | in | 7.9804 | Saltbr-in | 2.6792 | HRD-in | -80.76, -46.58 | 69.6, -13.75 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.9836 | ActLoopCT-in | TYR | APEdihe_iiiai | APEdist_aaai | APE10-dihe-in | -103.75, 141.7 | APE9-dihe-in | -129.36, 153.57 | APE8-dihe-in | -68.2, 94.98 | APE8-rot-na | 29.24 | APE67-dihe-in | -68.16, -17.51 | -48.71, -43.64 | APE12-dist-na | 14.7917 | APE11-dist-na | 9.9692 | APE10-dist-na | 12.4075 | APE9-dist-in | 6.9515 | None | None | None | AF2 | -1.0 | 1.0 | 1.0 | A | 270.0 | 270.0 | 0 | 29 | 29 | 0 | [[242, 495]] | 1.0 | AF-P00519-K1 | TYR_ABL1_HUMAN | TYR | 2.1e-100 | 341.2 | 1.0 | 260.0 | 260.0 | 380 | 381 | 382 | 384 | 386 | 271 | 286 | 290 | 360 | 362 | 361 | 363.0 | 421 | 409 | 404 | 403 | 402 | 401 | 400 | 399 | 398 | 316 | Tyrosine-protein kinase ABL1 |
| TYR | ABL1 | ABL1_HUMAN | AF-P00519-K3A | P00519 | 234 | 503 | 1130.0 | No_ligand | No_ligand | Active | DFGin | 6.3611 | 13.5794 | BLAminus | -138.26, -173.5 | 60.01, 57.15 | -76.49, 13.27 | 303.75, 99.33 | -58.39, -34.06 | in-in | in | 7.8147 | Saltbr-in | 2.7548 | HRD-in | -85.57, -49.18 | 70.08, -6.29 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.9865 | ActLoopCT-in | TYR | APEdihe_iiiai | APEdist_aaai | APE10-dihe-in | -94.76, 136.34 | APE9-dihe-in | -128.76, 153.96 | APE8-dihe-in | -76.2, 91.75 | APE8-rot-na | 33.55 | APE67-dihe-in | -64.39, -24.25 | -44.48, -44.47 | APE12-dist-na | 14.6351 | APE11-dist-na | 9.825 | APE10-dist-na | 11.7284 | APE9-dist-in | 6.6007 | None | None | None | AF2 | -1.0 | 1.0 | 1.0 | A | 270.0 | 270.0 | 0 | 29 | 29 | 0 | [[242, 495]] | 1.0 | AF-P00519-K3 | TYR_ABL1_HUMAN | TYR | 2.1e-100 | 341.2 | 1.0 | 260.0 | 260.0 | 380 | 381 | 382 | 384 | 386 | 271 | 286 | 290 | 360 | 362 | 361 | 363.0 | 421 | 409 | 404 | 403 | 402 | 401 | 400 | 399 | 398 | 316 | Tyrosine-protein kinase ABL1 |
| 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 | ABL1 | ABL1_HUMAN | AF-P00519-K1A | P00519 | 234 | 503 | 1130.0 | No_ligand | No_ligand | Active | DFGin | 6.6789 | 13.6815 | BLAminus | -121.82, -148.36 | 27.66, 69.52 | -83.21, 16.04 | 300.66, 100.42 | -58.22, -38.59 | in-in | in | 7.9804 | Saltbr-in | 2.6792 | HRD-in | -80.76, -46.58 | 69.6, -13.75 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.9836 | ActLoopCT-in | TYR | APEdihe_iiiai | APEdist_aaai | APE10-dihe-in | -103.75, 141.7 | APE9-dihe-in | -129.36, 153.57 | APE8-dihe-in | -68.2, 94.98 | APE8-rot-na | 29.24 | APE67-dihe-in | -68.16, -17.51 | -48.71, -43.64 | APE12-dist-na | 14.7917 | APE11-dist-na | 9.9692 | APE10-dist-na | 12.4075 | APE9-dist-in | 6.9515 | None | None | None | AF2 | -1.0 | 1.0 | 1.0 | A | 270.0 | 270.0 | 0 | 29 | 29 | 0 | [[242, 495]] | 1.0 | AF-P00519-K1 | Homo sapiens | TYR_ABL1_HUMAN | TYR | 2.1e-100 | 341.2 | 1.0 | 260.0 | 260.0 | 380 | 381 | 382 | 384 | 386 | 271 | 286 | 290 | 360 | 362 | 361 | 363.0 | 421 | 409 | 404 | 403 | 402 | 401 | 400 | 399 | 398 | 316 | Tyrosine-protein kinase ABL1 |
| TYR | ABL1 | ABL1_HUMAN | AF-P00519-K3A | P00519 | 234 | 503 | 1130.0 | No_ligand | No_ligand | Active | DFGin | 6.3611 | 13.5794 | BLAminus | -138.26, -173.5 | 60.01, 57.15 | -76.49, 13.27 | 303.75, 99.33 | -58.39, -34.06 | in-in | in | 7.8147 | Saltbr-in | 2.7548 | HRD-in | -85.57, -49.18 | 70.08, -6.29 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.9865 | ActLoopCT-in | TYR | APEdihe_iiiai | APEdist_aaai | APE10-dihe-in | -94.76, 136.34 | APE9-dihe-in | -128.76, 153.96 | APE8-dihe-in | -76.2, 91.75 | APE8-rot-na | 33.55 | APE67-dihe-in | -64.39, -24.25 | -44.48, -44.47 | APE12-dist-na | 14.6351 | APE11-dist-na | 9.825 | APE10-dist-na | 11.7284 | APE9-dist-in | 6.6007 | None | None | None | AF2 | -1.0 | 1.0 | 1.0 | A | 270.0 | 270.0 | 0 | 29 | 29 | 0 | [[242, 495]] | 1.0 | AF-P00519-K3 | Homo sapiens | TYR_ABL1_HUMAN | TYR | 2.1e-100 | 341.2 | 1.0 | 260.0 | 260.0 | 380 | 381 | 382 | 384 | 386 | 271 | 286 | 290 | 360 | 362 | 361 | 363.0 | 421 | 409 | 404 | 403 | 402 | 401 | 400 | 399 | 398 | 316 | Tyrosine-protein kinase ABL1 |
| 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 |
|---|