| 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 | 1OPLA | P00519 | 62 | 512 | 1130.0 | P16:60539 | Type1.5_Back | Inactive | DFGout | 12.8079 | 11.6702 | None | -65.59, 134.14 | -116.03, 33.28 | -83.5, 159.91 | 53.21, 70.33 | 67.06, 8.01 | in-in | in | 7.9532 | Saltbr-in | 2.9441 | HRD-in | -97.12, -53.99 | 73.72, -6.86 | in-out-in | SNCioi | out-in | ActLoopNT-out | 5.5535 | ActLoopCT-in | TYR | APEdihe_iiiai | APEdist_aaai | APE10-dihe-in | -101.98, 127.83 | APE9-dihe-in | -117.56, 161.51 | APE8-dihe-in | -80.15, 93.03 | APE8-rot-na | 30.65 | APE67-dihe-in | -63.53, -19.0 | -41.82, -48.43 | APE12-dist-na | 19.4826 | APE11-dist-na | 14.757 | APE10-dist-na | 17.4347 | APE9-dist-in | 7.1249 | K12R,D363N | None | None | XRAY | 3.42 | 0.306 | 0.315 | A | 537.0 | 451.0 | 0 | 29 | 29 | 0 | [[242, 495]] | 1.0 | 1opl | TYR_ABL1_HUMAN | TYR | 6.7e-99 | 336.7 | 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 | 1OPLB | P00519 | 121 | 499 | 1130.0 | P16:60538 | Type1.5_Back | Inactive | DFGout | 12.1961 | 11.5899 | None | -63.84, 141.4 | -115.91, 33.22 | -83.51, 160.0 | 53.06, 70.48 | 67.02, 7.94 | in-in | in | 7.991 | Saltbr-in | 2.943 | HRD-in | -97.28, -53.9 | 73.81, -6.95 | in-out-in | SNCioi | out-in | ActLoopNT-out | 5.553 | ActLoopCT-in | TYR | APEdihe_iiiai | APEdist_aaai | APE10-dihe-in | -102.01, 127.73 | APE9-dihe-in | -117.46, 161.57 | APE8-dihe-in | -80.14, 92.99 | APE8-rot-na | 30.73 | APE67-dihe-in | -63.44, -19.12 | -41.75, -48.48 | APE12-dist-na | 19.4824 | APE11-dist-na | 14.7574 | APE10-dist-na | 17.4356 | APE9-dist-in | 7.1251 | K12R,D363N | None | None | XRAY | 3.42 | 0.306 | 0.315 | B | 537.0 | 365.0 | 0 | 29 | 29 | 0 | [[242, 495]] | 1.0 | 1opl | TYR_ABL1_HUMAN | TYR | 6.7e-99 | 336.7 | 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 | 1OPLA | P00519 | 62 | 512 | 1130.0 | P16:60539 | Type1.5_Back | Inactive | DFGout | 12.8079 | 11.6702 | None | -65.59, 134.14 | -116.03, 33.28 | -83.5, 159.91 | 53.21, 70.33 | 67.06, 8.01 | in-in | in | 7.9532 | Saltbr-in | 2.9441 | HRD-in | -97.12, -53.99 | 73.72, -6.86 | in-out-in | SNCioi | out-in | ActLoopNT-out | 5.5535 | ActLoopCT-in | TYR | APEdihe_iiiai | APEdist_aaai | APE10-dihe-in | -101.98, 127.83 | APE9-dihe-in | -117.56, 161.51 | APE8-dihe-in | -80.15, 93.03 | APE8-rot-na | 30.65 | APE67-dihe-in | -63.53, -19.0 | -41.82, -48.43 | APE12-dist-na | 19.4826 | APE11-dist-na | 14.757 | APE10-dist-na | 17.4347 | APE9-dist-in | 7.1249 | K12R,D363N | None | None | XRAY | 3.42 | 0.306 | 0.315 | A | 537.0 | 451.0 | 0 | 29 | 29 | 0 | [[242, 495]] | 1.0 | 1opl | Homo sapiens | TYR_ABL1_HUMAN | TYR | 6.7e-99 | 336.7 | 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 | 1OPLB | P00519 | 121 | 499 | 1130.0 | P16:60538 | Type1.5_Back | Inactive | DFGout | 12.1961 | 11.5899 | None | -63.84, 141.4 | -115.91, 33.22 | -83.51, 160.0 | 53.06, 70.48 | 67.02, 7.94 | in-in | in | 7.991 | Saltbr-in | 2.943 | HRD-in | -97.28, -53.9 | 73.81, -6.95 | in-out-in | SNCioi | out-in | ActLoopNT-out | 5.553 | ActLoopCT-in | TYR | APEdihe_iiiai | APEdist_aaai | APE10-dihe-in | -102.01, 127.73 | APE9-dihe-in | -117.46, 161.57 | APE8-dihe-in | -80.14, 92.99 | APE8-rot-na | 30.73 | APE67-dihe-in | -63.44, -19.12 | -41.75, -48.48 | APE12-dist-na | 19.4824 | APE11-dist-na | 14.7574 | APE10-dist-na | 17.4356 | APE9-dist-in | 7.1251 | K12R,D363N | None | None | XRAY | 3.42 | 0.306 | 0.315 | B | 537.0 | 365.0 | 0 | 29 | 29 | 0 | [[242, 495]] | 1.0 | 1opl | Homo sapiens | TYR_ABL1_HUMAN | TYR | 6.7e-99 | 336.7 | 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 |
|---|