| 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 | 6NPUA | P00519 | 232 | 500 | 1130.0 | STI:60601,KWV:60602 | Type2,Allosteric | Inactive | DFGout | 13.7239 | 11.3407 | BBAminus | -131.32, -177.82 | -147.63, 103.5 | -91.61, -2.68 | 302.6, 133.1 | 64.49, 56.03 | in-in | in | 8.1753 | Saltbr-in | 2.6429 | HRD-in | -76.28, -58.38 | 85.82, -8.07 | in-out-in | SNCioi | out-in | ActLoopNT-out | 15.709 | ActLoopCT-in | TYR | APEdihe_iiiai | APEdist_aaai | APE10-dihe-in | -122.08, 129.98 | APE9-dihe-in | -123.79, 139.52 | APE8-dihe-in | -78.9, 90.13 | APE8-rot-na | 28.21 | APE67-dihe-in | -75.75, -3.63 | -52.56, -44.81 | APE12-dist-na | 16.3124 | APE11-dist-na | 12.5979 | APE10-dist-na | 8.715 | APE9-dist-in | 7.8012 | None | None | None | XRAY | 2.33 | 0.196 | 0.234 | A | 298.0 | 264.0 | 5 | 29 | 29 | 0 | [[242, 495]] | 1.0 | 6npu | TYR_ABL1_HUMAN | TYR | 3.1e-100 | 340.7 | 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 | 6NPUB | P00519 | 233 | 510 | 1130.0 | STI:60602,KWV:60605 | Type2,Allosteric | Inactive | DFGout | 13.7158 | 11.1215 | BBAminus | -136.03, -173.76 | -148.73, 104.54 | -94.68, -39.85 | 309.09, 136.14 | 93.88, 999.0 | in-in | in | 8.0462 | Saltbr-in | 2.6551 | HRD-in | -88.42, -57.18 | 82.99, -10.02 | in-none-in | SNCini | none-in | ActLoopNT-none | 999.0 | ActLoopCT-in | TYR | APEdihe_iiiai | APEdist_aaai | APE10-dihe-in | -116.51, 88.48 | APE9-dihe-in | -97.46, 155.87 | APE8-dihe-in | -87.38, 82.63 | APE8-rot-na | 29.77 | APE67-dihe-in | -64.85, -22.06 | -45.68, -43.02 | APE12-dist-na | 999.0 | APE11-dist-na | 999.0 | APE10-dist-na | 999.0 | APE9-dist-in | 7.8546 | None | None | None | XRAY | 2.33 | 0.196 | 0.234 | B | 298.0 | 257.0 | 21 | 29 | 14 | 15 | [[242, 495]] | 1.0 | 6npu | TYR_ABL1_HUMAN | TYR | 3.1e-100 | 340.7 | 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 | 6NPUA | P00519 | 232 | 500 | 1130.0 | STI:60601,KWV:60602 | Type2,Allosteric | Inactive | DFGout | 13.7239 | 11.3407 | BBAminus | -131.32, -177.82 | -147.63, 103.5 | -91.61, -2.68 | 302.6, 133.1 | 64.49, 56.03 | in-in | in | 8.1753 | Saltbr-in | 2.6429 | HRD-in | -76.28, -58.38 | 85.82, -8.07 | in-out-in | SNCioi | out-in | ActLoopNT-out | 15.709 | ActLoopCT-in | TYR | APEdihe_iiiai | APEdist_aaai | APE10-dihe-in | -122.08, 129.98 | APE9-dihe-in | -123.79, 139.52 | APE8-dihe-in | -78.9, 90.13 | APE8-rot-na | 28.21 | APE67-dihe-in | -75.75, -3.63 | -52.56, -44.81 | APE12-dist-na | 16.3124 | APE11-dist-na | 12.5979 | APE10-dist-na | 8.715 | APE9-dist-in | 7.8012 | None | None | None | XRAY | 2.33 | 0.196 | 0.234 | A | 298.0 | 264.0 | 5 | 29 | 29 | 0 | [[242, 495]] | 1.0 | 6npu | Homo sapiens | TYR_ABL1_HUMAN | TYR | 3.1e-100 | 340.7 | 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 | 6NPUB | P00519 | 233 | 510 | 1130.0 | STI:60602,KWV:60605 | Type2,Allosteric | Inactive | DFGout | 13.7158 | 11.1215 | BBAminus | -136.03, -173.76 | -148.73, 104.54 | -94.68, -39.85 | 309.09, 136.14 | 93.88, 999.0 | in-in | in | 8.0462 | Saltbr-in | 2.6551 | HRD-in | -88.42, -57.18 | 82.99, -10.02 | in-none-in | SNCini | none-in | ActLoopNT-none | 999.0 | ActLoopCT-in | TYR | APEdihe_iiiai | APEdist_aaai | APE10-dihe-in | -116.51, 88.48 | APE9-dihe-in | -97.46, 155.87 | APE8-dihe-in | -87.38, 82.63 | APE8-rot-na | 29.77 | APE67-dihe-in | -64.85, -22.06 | -45.68, -43.02 | APE12-dist-na | 999.0 | APE11-dist-na | 999.0 | APE10-dist-na | 999.0 | APE9-dist-in | 7.8546 | None | None | None | XRAY | 2.33 | 0.196 | 0.234 | B | 298.0 | 257.0 | 21 | 29 | 14 | 15 | [[242, 495]] | 1.0 | 6npu | Homo sapiens | TYR_ABL1_HUMAN | TYR | 3.1e-100 | 340.7 | 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 |
|---|