| 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 | 9KS5A | P00519 | 233 | 500 | 1130.0 | A1EG1:271 | Type1.5_Front | Inactive | DFGinter | 8.7305 | 5.5961 | None | -72.67, 142.35 | -137.94, 44.53 | -78.62, -20.52 | 286.29, 105.37 | -105.91, 20.09 | in-na | in | 9.0052 | Saltbr-na | 6.5449 | HRD-in | -99.23, -52.74 | 79.62, -6.89 | na-out-in | SNCaoi | out-in | ActLoopNT-out | 5.8077 | ActLoopCT-in | TYR | APEdihe_iiiai | APEdist_aaai | APE10-dihe-in | -110.95, 133.03 | APE9-dihe-in | -106.8, 158.22 | APE8-dihe-in | -76.47, 95.45 | APE8-rot-na | 26.95 | APE67-dihe-in | -74.68, -6.25 | -55.43, -44.13 | APE12-dist-na | 19.8189 | APE11-dist-na | 15.2479 | APE10-dist-na | 18.1002 | APE9-dist-in | 7.5449 | None | PTR393 | A1EG1271,PTR393 | XRAY | 2.2 | 0.172 | 0.212 | A | 272.0 | 267.0 | 1 | 29 | 29 | 0 | [[242, 495]] | 1.0 | 9ks5 | TYR_ABL1_HUMAN | TYR | 1.6e-98 | 335.1 | 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 | 9KS5B | P00519 | 233 | 500 | 1130.0 | A1EG1:271 | Type1.5_Front | Inactive | DFGinter | 8.9707 | 5.8466 | None | -69.26, 149.18 | -127.32, 25.05 | -69.17, -24.35 | 300.43, 107.89 | -96.85, 31.16 | in-na | in | 8.9604 | Saltbr-na | 6.2903 | HRD-out | -120.48, 122.49 | -83.95, -2.51 | na-out-in | SNCaoi | out-in | ActLoopNT-out | 5.4644 | ActLoopCT-in | TYR | APEdihe_iiiai | APEdist_aaai | APE10-dihe-in | -105.41, 141.36 | APE9-dihe-in | -120.7, 148.99 | APE8-dihe-in | -66.45, 102.07 | APE8-rot-na | 24.98 | APE67-dihe-in | -72.47, -9.8 | -51.6, -47.65 | APE12-dist-na | 18.4239 | APE11-dist-na | 14.0576 | APE10-dist-na | 17.2646 | APE9-dist-in | 6.8918 | None | PTR393 | A1EG1271,PTR393 | XRAY | 2.2 | 0.172 | 0.212 | B | 272.0 | 268.0 | 0 | 29 | 29 | 0 | [[242, 495]] | 1.0 | 9ks5 | TYR_ABL1_HUMAN | TYR | 1.6e-98 | 335.1 | 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 | 9KS5A | P00519 | 233 | 500 | 1130.0 | A1EG1:271 | Type1.5_Front | Inactive | DFGinter | 8.7305 | 5.5961 | None | -72.67, 142.35 | -137.94, 44.53 | -78.62, -20.52 | 286.29, 105.37 | -105.91, 20.09 | in-na | in | 9.0052 | Saltbr-na | 6.5449 | HRD-in | -99.23, -52.74 | 79.62, -6.89 | na-out-in | SNCaoi | out-in | ActLoopNT-out | 5.8077 | ActLoopCT-in | TYR | APEdihe_iiiai | APEdist_aaai | APE10-dihe-in | -110.95, 133.03 | APE9-dihe-in | -106.8, 158.22 | APE8-dihe-in | -76.47, 95.45 | APE8-rot-na | 26.95 | APE67-dihe-in | -74.68, -6.25 | -55.43, -44.13 | APE12-dist-na | 19.8189 | APE11-dist-na | 15.2479 | APE10-dist-na | 18.1002 | APE9-dist-in | 7.5449 | None | PTR393 | A1EG1271,PTR393 | XRAY | 2.2 | 0.172 | 0.212 | A | 272.0 | 267.0 | 1 | 29 | 29 | 0 | [[242, 495]] | 1.0 | 9ks5 | Homo sapiens | TYR_ABL1_HUMAN | TYR | 1.6e-98 | 335.1 | 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 | 9KS5B | P00519 | 233 | 500 | 1130.0 | A1EG1:271 | Type1.5_Front | Inactive | DFGinter | 8.9707 | 5.8466 | None | -69.26, 149.18 | -127.32, 25.05 | -69.17, -24.35 | 300.43, 107.89 | -96.85, 31.16 | in-na | in | 8.9604 | Saltbr-na | 6.2903 | HRD-out | -120.48, 122.49 | -83.95, -2.51 | na-out-in | SNCaoi | out-in | ActLoopNT-out | 5.4644 | ActLoopCT-in | TYR | APEdihe_iiiai | APEdist_aaai | APE10-dihe-in | -105.41, 141.36 | APE9-dihe-in | -120.7, 148.99 | APE8-dihe-in | -66.45, 102.07 | APE8-rot-na | 24.98 | APE67-dihe-in | -72.47, -9.8 | -51.6, -47.65 | APE12-dist-na | 18.4239 | APE11-dist-na | 14.0576 | APE10-dist-na | 17.2646 | APE9-dist-in | 6.8918 | None | PTR393 | A1EG1271,PTR393 | XRAY | 2.2 | 0.172 | 0.212 | B | 272.0 | 268.0 | 0 | 29 | 29 | 0 | [[242, 495]] | 1.0 | 9ks5 | Homo sapiens | TYR_ABL1_HUMAN | TYR | 1.6e-98 | 335.1 | 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 |
|---|