| 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 | 7CC2A | P00519 | 233 | 501 | 1130.0 | FVC:601 | Type1 | Inactive | DFGinter | 9.165 | 8.2582 | None | -73.32, 112.44 | -109.3, 64.01 | -105.28, -20.44 | 309.47, 116.75 | -109.01, 28.74 | out-out | out | 11.0848 | Saltbr-out | 8.3686 | HRD-in | -90.34, -46.17 | 72.58, 0.36 | out-out-in | SNCooi | out-in | ActLoopNT-out | 5.6175 | ActLoopCT-in | TYR | APEdihe_iiiai | APEdist_aaai | APE10-dihe-in | -99.21, 129.2 | APE9-dihe-in | -111.79, 156.63 | APE8-dihe-in | -66.39, 106.43 | APE8-rot-na | 344.92 | APE67-dihe-in | -73.87, -6.7 | -58.13, -47.58 | APE12-dist-na | 19.2521 | APE11-dist-na | 14.4724 | APE10-dist-na | 17.3207 | APE9-dist-in | 6.8625 | None | None | None | XRAY | 2.723 | 0.196 | 0.242 | A | 310.0 | 263.0 | 6 | 29 | 29 | 0 | [[242, 495]] | 1.0 | 7cc2 | TYR_ABL1_HUMAN | TYR | 3.6e-100 | 340.5 | 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 | 7CC2B | P00519 | 232 | 501 | 1130.0 | FVC:601 | Type1 | Inactive | DFGinter | 8.9786 | 8.607 | None | -71.77, 114.13 | -110.49, 61.26 | -109.45, -24.12 | 312.83, 116.95 | -111.64, 29.87 | in-none | in | 9.5409 | Saltbr-none | 999.0 | HRD-in | -88.51, -47.46 | 71.59, 1.41 | none-out-in | SNCnoi | out-in | ActLoopNT-out | 5.646 | ActLoopCT-in | TYR | APEdihe_iiiai | APEdist_aaai | APE10-dihe-in | -97.35, 131.77 | APE9-dihe-in | -108.11, 154.53 | APE8-dihe-in | -67.24, 106.75 | APE8-rot-na | 21.35 | APE67-dihe-in | -74.13, -7.58 | -57.65, -47.12 | APE12-dist-na | 19.1078 | APE11-dist-na | 14.3895 | APE10-dist-na | 17.5862 | APE9-dist-in | 7.0083 | None | None | None | XRAY | 2.723 | 0.196 | 0.242 | B | 310.0 | 266.0 | 4 | 29 | 29 | 0 | [[242, 495]] | 1.0 | 7cc2 | TYR_ABL1_HUMAN | TYR | 3.6e-100 | 340.5 | 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 | 7CC2A | P00519 | 233 | 501 | 1130.0 | FVC:601 | Type1 | Inactive | DFGinter | 9.165 | 8.2582 | None | -73.32, 112.44 | -109.3, 64.01 | -105.28, -20.44 | 309.47, 116.75 | -109.01, 28.74 | out-out | out | 11.0848 | Saltbr-out | 8.3686 | HRD-in | -90.34, -46.17 | 72.58, 0.36 | out-out-in | SNCooi | out-in | ActLoopNT-out | 5.6175 | ActLoopCT-in | TYR | APEdihe_iiiai | APEdist_aaai | APE10-dihe-in | -99.21, 129.2 | APE9-dihe-in | -111.79, 156.63 | APE8-dihe-in | -66.39, 106.43 | APE8-rot-na | 344.92 | APE67-dihe-in | -73.87, -6.7 | -58.13, -47.58 | APE12-dist-na | 19.2521 | APE11-dist-na | 14.4724 | APE10-dist-na | 17.3207 | APE9-dist-in | 6.8625 | None | None | None | XRAY | 2.723 | 0.196 | 0.242 | A | 310.0 | 263.0 | 6 | 29 | 29 | 0 | [[242, 495]] | 1.0 | 7cc2 | Homo sapiens | TYR_ABL1_HUMAN | TYR | 3.6e-100 | 340.5 | 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 | 7CC2B | P00519 | 232 | 501 | 1130.0 | FVC:601 | Type1 | Inactive | DFGinter | 8.9786 | 8.607 | None | -71.77, 114.13 | -110.49, 61.26 | -109.45, -24.12 | 312.83, 116.95 | -111.64, 29.87 | in-none | in | 9.5409 | Saltbr-none | 999.0 | HRD-in | -88.51, -47.46 | 71.59, 1.41 | none-out-in | SNCnoi | out-in | ActLoopNT-out | 5.646 | ActLoopCT-in | TYR | APEdihe_iiiai | APEdist_aaai | APE10-dihe-in | -97.35, 131.77 | APE9-dihe-in | -108.11, 154.53 | APE8-dihe-in | -67.24, 106.75 | APE8-rot-na | 21.35 | APE67-dihe-in | -74.13, -7.58 | -57.65, -47.12 | APE12-dist-na | 19.1078 | APE11-dist-na | 14.3895 | APE10-dist-na | 17.5862 | APE9-dist-in | 7.0083 | None | None | None | XRAY | 2.723 | 0.196 | 0.242 | B | 310.0 | 266.0 | 4 | 29 | 29 | 0 | [[242, 495]] | 1.0 | 7cc2 | Homo sapiens | TYR_ABL1_HUMAN | TYR | 3.6e-100 | 340.5 | 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 |
|---|