| 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 | 7N9GB | P00519 | 233 | 498 | 1130.0 | STI:60601,1N1:60602 | Allosteric,Type1 | Active | DFGin | 6.7541 | 13.4449 | BLAminus | -122.97, -168.58 | 58.54, 84.79 | -109.7, 15.38 | 305.77, 104.92 | -56.72, -36.19 | in-in | in | 7.8072 | Saltbr-in | 2.716 | HRD-in | -94.83, -54.73 | 76.06, 6.03 | in-in-in | SNCiii | in-in | ActLoopNT-in | 3.0408 | ActLoopCT-in | TYR | APEdihe_iiiai | APEdist_aaai | APE10-dihe-in | -97.97, 124.86 | APE9-dihe-in | -118.42, 152.72 | APE8-dihe-in | -70.17, 95.62 | APE8-rot-na | 28.18 | APE67-dihe-in | -73.36, -13.19 | -53.92, -45.07 | APE12-dist-na | 14.9514 | APE11-dist-na | 10.1213 | APE10-dist-na | 12.2789 | APE9-dist-in | 7.1369 | None | None | None | XRAY | 2.2 | 0.219 | 0.251 | B | 271.0 | 264.0 | 2 | 29 | 29 | 0 | [[242, 495]] | 1.0 | 7n9g | 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 | 7N9GA | P00519 | 233 | 498 | 1130.0 | STI:60601,1N1:60602 | Allosteric,Type1 | Inactive | DFGinter | 10.4212 | 8.1868 | None | -69.43, 136.44 | -123.08, 27.78 | -75.4, -30.96 | 178.85, 77.99 | -98.31, 50.2 | in-out | in | 8.8784 | Saltbr-out | 9.7861 | HRD-out | -92.88, 142.81 | -110.01, 0.88 | out-out-none | SNCoon | out-none | ActLoopNT-out | 5.5443 | ActLoopCT-none | TYR | APEdihe_nniai | APEdist_aaai | APE10-dihe-none | 999.0, 999.0 | APE9-dihe-none | 999.0, 170.84 | APE8-dihe-in | -72.01, 95.09 | APE8-rot-na | 30.25 | APE67-dihe-in | -73.75, -10.66 | -54.08, -44.56 | APE12-dist-na | 999.0 | APE11-dist-na | 999.0 | APE10-dist-na | 999.0 | APE9-dist-in | 5.8503 | None | None | None | XRAY | 2.2 | 0.219 | 0.251 | A | 271.0 | 250.0 | 16 | 29 | 16 | 13 | [[242, 495]] | 1.0 | 7n9g | 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 | 7N9GC | P00519 | 234 | 499 | 1130.0 | STI:60601,1N1:60602 | Allosteric,Type1 | Inactive | DFGinter | 10.016 | 7.7618 | None | -68.53, 140.81 | -120.26, 3.31 | -57.57, -42.4 | 182.82, 108.58 | -86.96, 40.71 | in-none | in | 9.4392 | Saltbr-none | 999.0 | HRD-out | -106.92, 134.12 | -80.26, -30.58 | none-out-none | SNCnon | out-none | ActLoopNT-out | 5.4779 | ActLoopCT-none | TYR | APEdihe_nniai | APEdist_aaai | APE10-dihe-none | 999.0, 999.0 | APE9-dihe-none | 999.0, 96.82 | APE8-dihe-in | -65.53, 99.76 | APE8-rot-na | 23.57 | APE67-dihe-in | -73.61, -20.46 | -60.17, -42.86 | APE12-dist-na | 999.0 | APE11-dist-na | 999.0 | APE10-dist-na | 999.0 | APE9-dist-in | 6.8914 | None | None | None | XRAY | 2.2 | 0.219 | 0.251 | C | 271.0 | 233.0 | 33 | 29 | 24 | 5 | [[242, 495]] | 1.0 | 7n9g | 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 | 7N9GB | P00519 | 233 | 498 | 1130.0 | STI:60601,1N1:60602 | Allosteric,Type1 | Active | DFGin | 6.7541 | 13.4449 | BLAminus | -122.97, -168.58 | 58.54, 84.79 | -109.7, 15.38 | 305.77, 104.92 | -56.72, -36.19 | in-in | in | 7.8072 | Saltbr-in | 2.716 | HRD-in | -94.83, -54.73 | 76.06, 6.03 | in-in-in | SNCiii | in-in | ActLoopNT-in | 3.0408 | ActLoopCT-in | TYR | APEdihe_iiiai | APEdist_aaai | APE10-dihe-in | -97.97, 124.86 | APE9-dihe-in | -118.42, 152.72 | APE8-dihe-in | -70.17, 95.62 | APE8-rot-na | 28.18 | APE67-dihe-in | -73.36, -13.19 | -53.92, -45.07 | APE12-dist-na | 14.9514 | APE11-dist-na | 10.1213 | APE10-dist-na | 12.2789 | APE9-dist-in | 7.1369 | None | None | None | XRAY | 2.2 | 0.219 | 0.251 | B | 271.0 | 264.0 | 2 | 29 | 29 | 0 | [[242, 495]] | 1.0 | 7n9g | 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 | 7N9GA | P00519 | 233 | 498 | 1130.0 | STI:60601,1N1:60602 | Allosteric,Type1 | Inactive | DFGinter | 10.4212 | 8.1868 | None | -69.43, 136.44 | -123.08, 27.78 | -75.4, -30.96 | 178.85, 77.99 | -98.31, 50.2 | in-out | in | 8.8784 | Saltbr-out | 9.7861 | HRD-out | -92.88, 142.81 | -110.01, 0.88 | out-out-none | SNCoon | out-none | ActLoopNT-out | 5.5443 | ActLoopCT-none | TYR | APEdihe_nniai | APEdist_aaai | APE10-dihe-none | 999.0, 999.0 | APE9-dihe-none | 999.0, 170.84 | APE8-dihe-in | -72.01, 95.09 | APE8-rot-na | 30.25 | APE67-dihe-in | -73.75, -10.66 | -54.08, -44.56 | APE12-dist-na | 999.0 | APE11-dist-na | 999.0 | APE10-dist-na | 999.0 | APE9-dist-in | 5.8503 | None | None | None | XRAY | 2.2 | 0.219 | 0.251 | A | 271.0 | 250.0 | 16 | 29 | 16 | 13 | [[242, 495]] | 1.0 | 7n9g | 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 | 7N9GC | P00519 | 234 | 499 | 1130.0 | STI:60601,1N1:60602 | Allosteric,Type1 | Inactive | DFGinter | 10.016 | 7.7618 | None | -68.53, 140.81 | -120.26, 3.31 | -57.57, -42.4 | 182.82, 108.58 | -86.96, 40.71 | in-none | in | 9.4392 | Saltbr-none | 999.0 | HRD-out | -106.92, 134.12 | -80.26, -30.58 | none-out-none | SNCnon | out-none | ActLoopNT-out | 5.4779 | ActLoopCT-none | TYR | APEdihe_nniai | APEdist_aaai | APE10-dihe-none | 999.0, 999.0 | APE9-dihe-none | 999.0, 96.82 | APE8-dihe-in | -65.53, 99.76 | APE8-rot-na | 23.57 | APE67-dihe-in | -73.61, -20.46 | -60.17, -42.86 | APE12-dist-na | 999.0 | APE11-dist-na | 999.0 | APE10-dist-na | 999.0 | APE9-dist-in | 6.8914 | None | None | None | XRAY | 2.2 | 0.219 | 0.251 | C | 271.0 | 233.0 | 33 | 29 | 24 | 5 | [[242, 495]] | 1.0 | 7n9g | 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 |
|---|