| 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 | 3QRJA | P00519 | 234 | 496 | 1130.0 | 919:2 | Type2 | Inactive | DFGout | 13.1495 | 8.9896 | BBAminus | -140.1, 177.46 | -140.75, 104.13 | -86.94, 4.73 | 283.88, 85.78 | 63.32, 48.64 | in-in | in | 7.6735 | Saltbr-in | 2.7754 | HRD-in | -79.02, -49.06 | 80.26, -14.09 | in-out-in | SNCioi | out-in | ActLoopNT-out | 14.9879 | ActLoopCT-in | TYR | APEdihe_iiiai | APEdist_aaai | APE10-dihe-in | -90.38, 130.47 | APE9-dihe-in | -139.16, 150.69 | APE8-dihe-in | -78.39, 79.63 | APE8-rot-na | 34.62 | APE67-dihe-in | -72.48, -9.29 | -46.12, -53.19 | APE12-dist-na | 18.622 | APE11-dist-na | 15.6447 | APE10-dist-na | 10.8448 | APE9-dist-in | 7.3579 | T315I | None | None | XRAY | 1.82 | 0.232 | 0.286 | A | 277.0 | 258.0 | 5 | 29 | 29 | 0 | [[242, 495]] | 1.0 | 3qrj | TYR_ABL1_HUMAN | TYR | 4.7e-100 | 340.1 | 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 | 3QRJB | P00519 | 233 | 497 | 1130.0 | 919:1 | Type2 | Inactive | DFGout | 13.1286 | 9.0788 | BBAminus | -139.41, 169.11 | -133.48, 106.22 | -82.14, 0.45 | 283.14, 89.48 | 61.09, 48.15 | in-in | in | 7.9313 | Saltbr-in | 2.7953 | HRD-in | -78.78, -56.83 | 82.44, -6.52 | in-out-in | SNCioi | out-in | ActLoopNT-out | 15.1049 | ActLoopCT-in | TYR | APEdihe_iiiai | APEdist_aaai | APE10-dihe-in | -101.29, 121.26 | APE9-dihe-in | -134.93, 153.91 | APE8-dihe-in | -77.7, 85.51 | APE8-rot-na | 33.76 | APE67-dihe-in | -63.53, -18.09 | -55.44, -46.47 | APE12-dist-na | 18.6564 | APE11-dist-na | 15.3761 | APE10-dist-na | 10.8226 | APE9-dist-in | 7.7219 | T315I | None | None | XRAY | 1.82 | 0.232 | 0.286 | B | 277.0 | 265.0 | 0 | 29 | 29 | 0 | [[242, 495]] | 1.0 | 3qrj | TYR_ABL1_HUMAN | TYR | 4.7e-100 | 340.1 | 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 | 3QRJA | P00519 | 234 | 496 | 1130.0 | 919:2 | Type2 | Inactive | DFGout | 13.1495 | 8.9896 | BBAminus | -140.1, 177.46 | -140.75, 104.13 | -86.94, 4.73 | 283.88, 85.78 | 63.32, 48.64 | in-in | in | 7.6735 | Saltbr-in | 2.7754 | HRD-in | -79.02, -49.06 | 80.26, -14.09 | in-out-in | SNCioi | out-in | ActLoopNT-out | 14.9879 | ActLoopCT-in | TYR | APEdihe_iiiai | APEdist_aaai | APE10-dihe-in | -90.38, 130.47 | APE9-dihe-in | -139.16, 150.69 | APE8-dihe-in | -78.39, 79.63 | APE8-rot-na | 34.62 | APE67-dihe-in | -72.48, -9.29 | -46.12, -53.19 | APE12-dist-na | 18.622 | APE11-dist-na | 15.6447 | APE10-dist-na | 10.8448 | APE9-dist-in | 7.3579 | T315I | None | None | XRAY | 1.82 | 0.232 | 0.286 | A | 277.0 | 258.0 | 5 | 29 | 29 | 0 | [[242, 495]] | 1.0 | 3qrj | Homo sapiens | TYR_ABL1_HUMAN | TYR | 4.7e-100 | 340.1 | 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 | 3QRJB | P00519 | 233 | 497 | 1130.0 | 919:1 | Type2 | Inactive | DFGout | 13.1286 | 9.0788 | BBAminus | -139.41, 169.11 | -133.48, 106.22 | -82.14, 0.45 | 283.14, 89.48 | 61.09, 48.15 | in-in | in | 7.9313 | Saltbr-in | 2.7953 | HRD-in | -78.78, -56.83 | 82.44, -6.52 | in-out-in | SNCioi | out-in | ActLoopNT-out | 15.1049 | ActLoopCT-in | TYR | APEdihe_iiiai | APEdist_aaai | APE10-dihe-in | -101.29, 121.26 | APE9-dihe-in | -134.93, 153.91 | APE8-dihe-in | -77.7, 85.51 | APE8-rot-na | 33.76 | APE67-dihe-in | -63.53, -18.09 | -55.44, -46.47 | APE12-dist-na | 18.6564 | APE11-dist-na | 15.3761 | APE10-dist-na | 10.8226 | APE9-dist-in | 7.7219 | T315I | None | None | XRAY | 1.82 | 0.232 | 0.286 | B | 277.0 | 265.0 | 0 | 29 | 29 | 0 | [[242, 495]] | 1.0 | 3qrj | Homo sapiens | TYR_ABL1_HUMAN | TYR | 4.7e-100 | 340.1 | 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 |
|---|