| 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 | 2E2BA | P00519 | 229 | 502 | 1130.0 | 406:61001 | Type2 | Inactive | DFGout | 13.6369 | 10.9141 | BBAminus | -135.1, -171.45 | -153.85, 101.44 | -92.52, 5.9 | 308.25, 136.28 | 52.63, 55.21 | in-in | in | 8.4387 | Saltbr-in | 2.958 | HRD-in | -72.49, -53.7 | 81.83, -19.66 | in-out-in | SNCioi | out-in | ActLoopNT-out | 15.4827 | ActLoopCT-in | TYR | APEdihe_iiiai | APEdist_aaai | APE10-dihe-in | -125.77, 121.49 | APE9-dihe-in | -121.85, 146.58 | APE8-dihe-in | -80.67, 88.23 | APE8-rot-na | 34.75 | APE67-dihe-in | -71.79, -9.02 | -46.22, -43.83 | APE12-dist-na | 15.609 | APE11-dist-na | 11.3547 | APE10-dist-na | 8.5173 | APE9-dist-in | 7.2711 | None | None | None | XRAY | 2.2 | 0.236 | 0.27 | A | 293.0 | 266.0 | 8 | 29 | 25 | 4 | [[242, 495]] | 1.0 | 2e2b | TYR_ABL1_HUMAN | TYR | 2.9e-100 | 340.8 | 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 | 2E2BB | P00519 | 229 | 497 | 1130.0 | 406:61002 | Type2 | Inactive | DFGout | 13.647 | 10.9332 | BBAminus | -143.5, -176.35 | -149.87, 101.4 | -87.9, 0.31 | 305.42, 141.47 | 55.35, 49.49 | in-in | in | 8.4517 | Saltbr-in | 2.8516 | HRD-in | -72.44, -52.01 | 77.65, -14.12 | in-none-in | SNCini | none-in | ActLoopNT-none | 999.0 | ActLoopCT-in | TYR | APEdihe_iiiai | APEdist_aaai | APE10-dihe-in | -114.83, 116.83 | APE9-dihe-in | -124.88, 142.96 | APE8-dihe-in | -78.59, 83.23 | APE8-rot-na | 29.89 | APE67-dihe-in | -65.0, -9.5 | -42.19, -50.29 | APE12-dist-na | 15.6557 | APE11-dist-na | 11.8314 | APE10-dist-na | 8.4692 | APE9-dist-in | 7.2202 | None | None | None | XRAY | 2.2 | 0.236 | 0.27 | B | 293.0 | 258.0 | 11 | 29 | 23 | 6 | [[242, 495]] | 1.0 | 2e2b | TYR_ABL1_HUMAN | TYR | 2.9e-100 | 340.8 | 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 | 2E2BA | P00519 | 229 | 502 | 1130.0 | 406:61001 | Type2 | Inactive | DFGout | 13.6369 | 10.9141 | BBAminus | -135.1, -171.45 | -153.85, 101.44 | -92.52, 5.9 | 308.25, 136.28 | 52.63, 55.21 | in-in | in | 8.4387 | Saltbr-in | 2.958 | HRD-in | -72.49, -53.7 | 81.83, -19.66 | in-out-in | SNCioi | out-in | ActLoopNT-out | 15.4827 | ActLoopCT-in | TYR | APEdihe_iiiai | APEdist_aaai | APE10-dihe-in | -125.77, 121.49 | APE9-dihe-in | -121.85, 146.58 | APE8-dihe-in | -80.67, 88.23 | APE8-rot-na | 34.75 | APE67-dihe-in | -71.79, -9.02 | -46.22, -43.83 | APE12-dist-na | 15.609 | APE11-dist-na | 11.3547 | APE10-dist-na | 8.5173 | APE9-dist-in | 7.2711 | None | None | None | XRAY | 2.2 | 0.236 | 0.27 | A | 293.0 | 266.0 | 8 | 29 | 25 | 4 | [[242, 495]] | 1.0 | 2e2b | Homo sapiens | TYR_ABL1_HUMAN | TYR | 2.9e-100 | 340.8 | 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 | 2E2BB | P00519 | 229 | 497 | 1130.0 | 406:61002 | Type2 | Inactive | DFGout | 13.647 | 10.9332 | BBAminus | -143.5, -176.35 | -149.87, 101.4 | -87.9, 0.31 | 305.42, 141.47 | 55.35, 49.49 | in-in | in | 8.4517 | Saltbr-in | 2.8516 | HRD-in | -72.44, -52.01 | 77.65, -14.12 | in-none-in | SNCini | none-in | ActLoopNT-none | 999.0 | ActLoopCT-in | TYR | APEdihe_iiiai | APEdist_aaai | APE10-dihe-in | -114.83, 116.83 | APE9-dihe-in | -124.88, 142.96 | APE8-dihe-in | -78.59, 83.23 | APE8-rot-na | 29.89 | APE67-dihe-in | -65.0, -9.5 | -42.19, -50.29 | APE12-dist-na | 15.6557 | APE11-dist-na | 11.8314 | APE10-dist-na | 8.4692 | APE9-dist-in | 7.2202 | None | None | None | XRAY | 2.2 | 0.236 | 0.27 | B | 293.0 | 258.0 | 11 | 29 | 23 | 6 | [[242, 495]] | 1.0 | 2e2b | Homo sapiens | TYR_ABL1_HUMAN | TYR | 2.9e-100 | 340.8 | 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 |
|---|