| 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 | 8I7TB | P00519 | 232 | 500 | 1130.0 | 6I5:601 | Type1 | Inactive | DFGout | 13.4131 | 11.662 | None | -78.21, 133.76 | -76.1, -34.26 | 58.37, -123.75 | 266.71, 82.63 | -125.63, 98.01 | in-in | in | 9.5758 | Saltbr-in | 3.2593 | HRD-in | -106.12, -52.02 | 70.25, 2.56 | in-out-in | SNCioi | out-in | ActLoopNT-out | 5.657 | ActLoopCT-in | TYR | APEdihe_iiiai | APEdist_aaai | APE10-dihe-in | -89.56, 141.45 | APE9-dihe-in | -118.71, 149.22 | APE8-dihe-in | -71.44, 98.5 | APE8-rot-na | 25.12 | APE67-dihe-in | -70.33, -18.58 | -57.67, -41.4 | APE12-dist-na | 18.1415 | APE11-dist-na | 13.5979 | APE10-dist-na | 16.9845 | APE9-dist-in | 6.8506 | None | PTR393 | PTR393 | XRAY | 2.8 | 0.221 | 0.272 | B | 272.0 | 263.0 | 6 | 29 | 29 | 0 | [[242, 495]] | 1.0 | 8i7t | TYR_ABL1_HUMAN | TYR | 2.2e-100 | 341.2 | 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 | 8I7TA | P00519 | 232 | 500 | 1130.0 | 6I5:601 | Type1.5_Back | Inactive | DFGout | 13.2636 | 11.9557 | None | -62.98, 128.57 | -72.85, -7.53 | 36.94, -135.32 | 264.95, 6.34 | 101.46, 15.06 | in-in | in | 8.5956 | Saltbr-in | 3.2755 | HRD-in | -96.98, -47.23 | 68.77, 7.6 | in-out-in | SNCioi | out-in | ActLoopNT-out | 5.8528 | ActLoopCT-in | TYR | APEdihe_iiiai | APEdist_aaai | APE10-dihe-in | -106.95, 130.91 | APE9-dihe-in | -108.03, 159.47 | APE8-dihe-in | -73.45, 92.08 | APE8-rot-na | 23.57 | APE67-dihe-in | -76.01, -8.31 | -52.5, -40.25 | APE12-dist-na | 19.7336 | APE11-dist-na | 15.1378 | APE10-dist-na | 18.0684 | APE9-dist-in | 7.3114 | None | PTR393 | PTR393 | XRAY | 2.8 | 0.221 | 0.272 | A | 272.0 | 267.0 | 2 | 29 | 29 | 0 | [[242, 495]] | 1.0 | 8i7t | TYR_ABL1_HUMAN | TYR | 2.2e-100 | 341.2 | 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 | 8I7TB | P00519 | 232 | 500 | 1130.0 | 6I5:601 | Type1 | Inactive | DFGout | 13.4131 | 11.662 | None | -78.21, 133.76 | -76.1, -34.26 | 58.37, -123.75 | 266.71, 82.63 | -125.63, 98.01 | in-in | in | 9.5758 | Saltbr-in | 3.2593 | HRD-in | -106.12, -52.02 | 70.25, 2.56 | in-out-in | SNCioi | out-in | ActLoopNT-out | 5.657 | ActLoopCT-in | TYR | APEdihe_iiiai | APEdist_aaai | APE10-dihe-in | -89.56, 141.45 | APE9-dihe-in | -118.71, 149.22 | APE8-dihe-in | -71.44, 98.5 | APE8-rot-na | 25.12 | APE67-dihe-in | -70.33, -18.58 | -57.67, -41.4 | APE12-dist-na | 18.1415 | APE11-dist-na | 13.5979 | APE10-dist-na | 16.9845 | APE9-dist-in | 6.8506 | None | PTR393 | PTR393 | XRAY | 2.8 | 0.221 | 0.272 | B | 272.0 | 263.0 | 6 | 29 | 29 | 0 | [[242, 495]] | 1.0 | 8i7t | Homo sapiens | TYR_ABL1_HUMAN | TYR | 2.2e-100 | 341.2 | 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 | 8I7TA | P00519 | 232 | 500 | 1130.0 | 6I5:601 | Type1.5_Back | Inactive | DFGout | 13.2636 | 11.9557 | None | -62.98, 128.57 | -72.85, -7.53 | 36.94, -135.32 | 264.95, 6.34 | 101.46, 15.06 | in-in | in | 8.5956 | Saltbr-in | 3.2755 | HRD-in | -96.98, -47.23 | 68.77, 7.6 | in-out-in | SNCioi | out-in | ActLoopNT-out | 5.8528 | ActLoopCT-in | TYR | APEdihe_iiiai | APEdist_aaai | APE10-dihe-in | -106.95, 130.91 | APE9-dihe-in | -108.03, 159.47 | APE8-dihe-in | -73.45, 92.08 | APE8-rot-na | 23.57 | APE67-dihe-in | -76.01, -8.31 | -52.5, -40.25 | APE12-dist-na | 19.7336 | APE11-dist-na | 15.1378 | APE10-dist-na | 18.0684 | APE9-dist-in | 7.3114 | None | PTR393 | PTR393 | XRAY | 2.8 | 0.221 | 0.272 | A | 272.0 | 267.0 | 2 | 29 | 29 | 0 | [[242, 495]] | 1.0 | 8i7t | Homo sapiens | TYR_ABL1_HUMAN | TYR | 2.2e-100 | 341.2 | 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 |
|---|