| 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 | 2GQGA | P00519 | 229 | 500 | 1130.0 | 1N1:60501 | Type1 | Inactive | DFGin | 6.6367 | 14.0391 | BLAminus | -125.87, -162.48 | 50.1, 80.24 | -101.91, 13.59 | 304.08, 105.04 | -55.58, -28.07 | in-in | in | 8.2064 | Saltbr-in | 3.3367 | HRD-in | -94.17, -46.19 | 69.1, 8.59 | in-in-out | SNCiio | in-out | ActLoopNT-in | 3.0889 | ActLoopCT-out | TYR | APEdihe_oiiai | APEdist_aaai | APE10-dihe-out | -108.45, -178.77 | APE9-dihe-in | -144.75, 146.99 | APE8-dihe-in | -51.41, 101.22 | APE8-rot-na | 30.18 | APE67-dihe-in | -72.33, -8.18 | -47.68, -48.27 | APE12-dist-na | 13.8069 | APE11-dist-na | 10.1551 | APE10-dist-na | 13.162 | APE9-dist-in | 7.0168 | None | PTR393 | PTR393 | XRAY | 2.4 | 0.208 | 0.273 | A | 278.0 | 272.0 | 0 | 29 | 29 | 0 | [[242, 495]] | 1.0 | 2gqg | TYR_ABL1_HUMAN | TYR | 2.4e-100 | 341.1 | 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 | 2GQGB | P00519 | 229 | 499 | 1130.0 | 1N1:60502 | Type1.5_Back | Active | DFGin | 6.7246 | 13.4066 | BLAminus | -132.96, -163.46 | 57.81, 75.2 | -98.78, 6.6 | 302.62, 104.4 | -52.45, -32.74 | in-in | in | 8.0337 | Saltbr-in | 2.8987 | HRD-in | -101.91, -48.31 | 65.85, 10.15 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.9585 | ActLoopCT-in | TYR | APEdihe_iiiai | APEdist_aaai | APE10-dihe-in | -100.98, 171.69 | APE9-dihe-in | -137.71, 138.65 | APE8-dihe-in | -58.61, 114.78 | APE8-rot-na | 30.65 | APE67-dihe-in | -71.5, -8.45 | -53.53, -44.9 | APE12-dist-na | 11.2577 | APE11-dist-na | 7.468 | APE10-dist-na | 11.6413 | APE9-dist-in | 6.2756 | None | PTR393 | PTR393 | XRAY | 2.4 | 0.208 | 0.273 | B | 278.0 | 271.0 | 0 | 29 | 29 | 0 | [[242, 495]] | 1.0 | 2gqg | TYR_ABL1_HUMAN | TYR | 2.4e-100 | 341.1 | 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 | 2GQGA | P00519 | 229 | 500 | 1130.0 | 1N1:60501 | Type1 | Inactive | DFGin | 6.6367 | 14.0391 | BLAminus | -125.87, -162.48 | 50.1, 80.24 | -101.91, 13.59 | 304.08, 105.04 | -55.58, -28.07 | in-in | in | 8.2064 | Saltbr-in | 3.3367 | HRD-in | -94.17, -46.19 | 69.1, 8.59 | in-in-out | SNCiio | in-out | ActLoopNT-in | 3.0889 | ActLoopCT-out | TYR | APEdihe_oiiai | APEdist_aaai | APE10-dihe-out | -108.45, -178.77 | APE9-dihe-in | -144.75, 146.99 | APE8-dihe-in | -51.41, 101.22 | APE8-rot-na | 30.18 | APE67-dihe-in | -72.33, -8.18 | -47.68, -48.27 | APE12-dist-na | 13.8069 | APE11-dist-na | 10.1551 | APE10-dist-na | 13.162 | APE9-dist-in | 7.0168 | None | PTR393 | PTR393 | XRAY | 2.4 | 0.208 | 0.273 | A | 278.0 | 272.0 | 0 | 29 | 29 | 0 | [[242, 495]] | 1.0 | 2gqg | Homo sapiens | TYR_ABL1_HUMAN | TYR | 2.4e-100 | 341.1 | 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 | 2GQGB | P00519 | 229 | 499 | 1130.0 | 1N1:60502 | Type1.5_Back | Active | DFGin | 6.7246 | 13.4066 | BLAminus | -132.96, -163.46 | 57.81, 75.2 | -98.78, 6.6 | 302.62, 104.4 | -52.45, -32.74 | in-in | in | 8.0337 | Saltbr-in | 2.8987 | HRD-in | -101.91, -48.31 | 65.85, 10.15 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.9585 | ActLoopCT-in | TYR | APEdihe_iiiai | APEdist_aaai | APE10-dihe-in | -100.98, 171.69 | APE9-dihe-in | -137.71, 138.65 | APE8-dihe-in | -58.61, 114.78 | APE8-rot-na | 30.65 | APE67-dihe-in | -71.5, -8.45 | -53.53, -44.9 | APE12-dist-na | 11.2577 | APE11-dist-na | 7.468 | APE10-dist-na | 11.6413 | APE9-dist-in | 6.2756 | None | PTR393 | PTR393 | XRAY | 2.4 | 0.208 | 0.273 | B | 278.0 | 271.0 | 0 | 29 | 29 | 0 | [[242, 495]] | 1.0 | 2gqg | Homo sapiens | TYR_ABL1_HUMAN | TYR | 2.4e-100 | 341.1 | 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 |
|---|