| 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 | 4XEYB | P00519 | 122 | 504 | 1130.0 | 1N1:60601 | Type1 | Inactive | DFGinter | 10.0007 | 8.0224 | BABtrans | -71.04, 121.63 | -84.68, 7.52 | -91.76, 101.26 | 207.86, 90.35 | 143.13, -1.76 | in-out | in | 8.918 | Saltbr-out | 8.6427 | HRD-out | -101.25, 126.15 | -79.9, -27.01 | out-out-in | SNCooi | out-in | ActLoopNT-out | 5.4222 | ActLoopCT-in | TYR | APEdihe_iiiai | APEdist_aaai | APE10-dihe-in | -80.63, 133.07 | APE9-dihe-in | -116.3, 152.74 | APE8-dihe-in | -66.44, 99.47 | APE8-rot-na | 21.89 | APE67-dihe-in | -71.31, -17.26 | -44.98, -48.3 | APE12-dist-na | 18.5596 | APE11-dist-na | 13.9233 | APE10-dist-na | 16.5485 | APE9-dist-in | 6.4285 | None | None | None | XRAY | 2.891 | 0.232 | 0.259 | B | 408.0 | 359.0 | 9 | 29 | 29 | 0 | [[242, 495]] | 1.0 | 4xey | TYR_ABL1_HUMAN | TYR | 8.5e-100 | 339.5 | 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 | 4XEYA | P00519 | 231 | 503 | 1130.0 | 1N1:60601 | Type1 | Inactive | DFGinter | 9.993 | 7.9273 | None | -70.89, 123.51 | -90.91, 18.27 | -87.3, -11.95 | 199.48, 77.0 | -96.54, 13.69 | in-out | in | 8.9479 | Saltbr-out | 8.6903 | HRD-out | -101.8, 125.8 | -78.66, -28.68 | out-out-in | SNCooi | out-in | ActLoopNT-out | 5.3933 | ActLoopCT-in | TYR | APEdihe_iiiai | APEdist_aaai | APE10-dihe-in | -77.59, 140.17 | APE9-dihe-in | -145.27, 142.92 | APE8-dihe-in | -62.13, 98.18 | APE8-rot-na | 23.13 | APE67-dihe-in | -73.29, -19.48 | -49.65, -41.78 | APE12-dist-na | 18.7302 | APE11-dist-na | 14.1077 | APE10-dist-na | 16.5419 | APE9-dist-in | 6.5879 | None | None | None | XRAY | 2.891 | 0.232 | 0.259 | A | 408.0 | 269.0 | 4 | 29 | 29 | 0 | [[242, 495]] | 1.0 | 4xey | TYR_ABL1_HUMAN | TYR | 8.5e-100 | 339.5 | 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 | 4XEYB | P00519 | 122 | 504 | 1130.0 | 1N1:60601 | Type1 | Inactive | DFGinter | 10.0007 | 8.0224 | BABtrans | -71.04, 121.63 | -84.68, 7.52 | -91.76, 101.26 | 207.86, 90.35 | 143.13, -1.76 | in-out | in | 8.918 | Saltbr-out | 8.6427 | HRD-out | -101.25, 126.15 | -79.9, -27.01 | out-out-in | SNCooi | out-in | ActLoopNT-out | 5.4222 | ActLoopCT-in | TYR | APEdihe_iiiai | APEdist_aaai | APE10-dihe-in | -80.63, 133.07 | APE9-dihe-in | -116.3, 152.74 | APE8-dihe-in | -66.44, 99.47 | APE8-rot-na | 21.89 | APE67-dihe-in | -71.31, -17.26 | -44.98, -48.3 | APE12-dist-na | 18.5596 | APE11-dist-na | 13.9233 | APE10-dist-na | 16.5485 | APE9-dist-in | 6.4285 | None | None | None | XRAY | 2.891 | 0.232 | 0.259 | B | 408.0 | 359.0 | 9 | 29 | 29 | 0 | [[242, 495]] | 1.0 | 4xey | Homo sapiens | TYR_ABL1_HUMAN | TYR | 8.5e-100 | 339.5 | 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 | 4XEYA | P00519 | 231 | 503 | 1130.0 | 1N1:60601 | Type1 | Inactive | DFGinter | 9.993 | 7.9273 | None | -70.89, 123.51 | -90.91, 18.27 | -87.3, -11.95 | 199.48, 77.0 | -96.54, 13.69 | in-out | in | 8.9479 | Saltbr-out | 8.6903 | HRD-out | -101.8, 125.8 | -78.66, -28.68 | out-out-in | SNCooi | out-in | ActLoopNT-out | 5.3933 | ActLoopCT-in | TYR | APEdihe_iiiai | APEdist_aaai | APE10-dihe-in | -77.59, 140.17 | APE9-dihe-in | -145.27, 142.92 | APE8-dihe-in | -62.13, 98.18 | APE8-rot-na | 23.13 | APE67-dihe-in | -73.29, -19.48 | -49.65, -41.78 | APE12-dist-na | 18.7302 | APE11-dist-na | 14.1077 | APE10-dist-na | 16.5419 | APE9-dist-in | 6.5879 | None | None | None | XRAY | 2.891 | 0.232 | 0.259 | A | 408.0 | 269.0 | 4 | 29 | 29 | 0 | [[242, 495]] | 1.0 | 4xey | Homo sapiens | TYR_ABL1_HUMAN | TYR | 8.5e-100 | 339.5 | 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 |
|---|