| 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 | 2G2FA | P00519 | 232 | 506 | 1130.0 | No_ligand | No_ligand | Inactive | DFGinter | 9.9036 | 7.2155 | None | -62.11, 127.98 | -87.38, -14.52 | -64.34, -9.9 | 184.11, 68.76 | -103.31, 15.09 | in-out | in | 8.9231 | Saltbr-out | 8.9696 | HRD-out | -103.65, 121.34 | -60.45, -26.89 | out-out-in | SNCooi | out-in | ActLoopNT-out | 5.5372 | ActLoopCT-in | TYR | APEdihe_iiiai | APEdist_aaai | APE10-dihe-in | -96.48, 145.14 | APE9-dihe-in | -132.2, 154.35 | APE8-dihe-in | -76.87, 87.18 | APE8-rot-na | 28.49 | APE67-dihe-in | -66.0, -4.27 | -34.28, -57.53 | APE12-dist-na | 21.4063 | APE11-dist-na | 16.5765 | APE10-dist-na | 17.8671 | APE9-dist-in | 7.4309 | H396P | None | None | XRAY | 2.7 | 0.234 | 0.286 | A | 287.0 | 275.0 | 0 | 29 | 29 | 0 | [[242, 495]] | 1.0 | 2g2f | TYR_ABL1_HUMAN | TYR | 6.9e-100 | 339.6 | 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 | 2G2FB | P00519 | 234 | 502 | 1130.0 | AGS:601 | ATPlike | Inactive | DFGout | 13.4774 | 11.5253 | None | -73.05, 151.22 | -78.4, -31.56 | -2.81, -74.15 | 167.03, 54.1 | -90.78, 24.63 | in-in | in | 8.8964 | Saltbr-in | 3.3728 | HRD-out | -112.09, 115.32 | -73.34, -1.05 | in-out-in | SNCioi | out-in | ActLoopNT-out | 5.759 | ActLoopCT-in | TYR | APEdihe_iiiai | APEdist_aaai | APE10-dihe-in | -84.67, 144.36 | APE9-dihe-in | -134.57, 156.36 | APE8-dihe-in | -59.22, 104.92 | APE8-rot-na | 31.18 | APE67-dihe-in | -59.35, -15.8 | -52.01, -51.94 | APE12-dist-na | 18.8868 | APE11-dist-na | 14.2996 | APE10-dist-na | 17.6873 | APE9-dist-in | 6.8177 | H396P | None | None | XRAY | 2.7 | 0.234 | 0.286 | B | 287.0 | 264.0 | 5 | 29 | 29 | 0 | [[242, 495]] | 1.0 | 2g2f | TYR_ABL1_HUMAN | TYR | 6.9e-100 | 339.6 | 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 | 2G2FA | P00519 | 232 | 506 | 1130.0 | No_ligand | No_ligand | Inactive | DFGinter | 9.9036 | 7.2155 | None | -62.11, 127.98 | -87.38, -14.52 | -64.34, -9.9 | 184.11, 68.76 | -103.31, 15.09 | in-out | in | 8.9231 | Saltbr-out | 8.9696 | HRD-out | -103.65, 121.34 | -60.45, -26.89 | out-out-in | SNCooi | out-in | ActLoopNT-out | 5.5372 | ActLoopCT-in | TYR | APEdihe_iiiai | APEdist_aaai | APE10-dihe-in | -96.48, 145.14 | APE9-dihe-in | -132.2, 154.35 | APE8-dihe-in | -76.87, 87.18 | APE8-rot-na | 28.49 | APE67-dihe-in | -66.0, -4.27 | -34.28, -57.53 | APE12-dist-na | 21.4063 | APE11-dist-na | 16.5765 | APE10-dist-na | 17.8671 | APE9-dist-in | 7.4309 | H396P | None | None | XRAY | 2.7 | 0.234 | 0.286 | A | 287.0 | 275.0 | 0 | 29 | 29 | 0 | [[242, 495]] | 1.0 | 2g2f | Homo sapiens | TYR_ABL1_HUMAN | TYR | 6.9e-100 | 339.6 | 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 | 2G2FB | P00519 | 234 | 502 | 1130.0 | AGS:601 | ATPlike | Inactive | DFGout | 13.4774 | 11.5253 | None | -73.05, 151.22 | -78.4, -31.56 | -2.81, -74.15 | 167.03, 54.1 | -90.78, 24.63 | in-in | in | 8.8964 | Saltbr-in | 3.3728 | HRD-out | -112.09, 115.32 | -73.34, -1.05 | in-out-in | SNCioi | out-in | ActLoopNT-out | 5.759 | ActLoopCT-in | TYR | APEdihe_iiiai | APEdist_aaai | APE10-dihe-in | -84.67, 144.36 | APE9-dihe-in | -134.57, 156.36 | APE8-dihe-in | -59.22, 104.92 | APE8-rot-na | 31.18 | APE67-dihe-in | -59.35, -15.8 | -52.01, -51.94 | APE12-dist-na | 18.8868 | APE11-dist-na | 14.2996 | APE10-dist-na | 17.6873 | APE9-dist-in | 6.8177 | H396P | None | None | XRAY | 2.7 | 0.234 | 0.286 | B | 287.0 | 264.0 | 5 | 29 | 29 | 0 | [[242, 495]] | 1.0 | 2g2f | Homo sapiens | TYR_ABL1_HUMAN | TYR | 6.9e-100 | 339.6 | 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 |
|---|