| 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 | 6NPVA | P00519 | 232 | 500 | 1130.0 | STI:60602,KWP:60603 | Type2,Allosteric | Inactive | DFGout | 13.575 | 11.2109 | BBAminus | -133.43, -176.32 | -147.26, 102.27 | -88.44, -2.86 | 301.02, 133.29 | 64.03, 50.03 | in-in | in | 8.1581 | Saltbr-in | 2.9685 | HRD-in | -74.61, -59.03 | 88.55, -10.34 | in-out-in | SNCioi | out-in | ActLoopNT-out | 15.7382 | ActLoopCT-in | TYR | APEdihe_iiiai | APEdist_aaai | APE10-dihe-in | -119.7, 120.65 | APE9-dihe-in | -115.73, 140.1 | APE8-dihe-in | -81.63, 87.3 | APE8-rot-na | 30.14 | APE67-dihe-in | -75.75, -5.01 | -52.83, -44.97 | APE12-dist-na | 16.3027 | APE11-dist-na | 12.2839 | APE10-dist-na | 8.7127 | APE9-dist-in | 7.7824 | None | None | None | XRAY | 1.86 | 0.183 | 0.207 | A | 298.0 | 264.0 | 5 | 29 | 29 | 0 | [[242, 495]] | 1.0 | 6npv | 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 | 6NPVB | P00519 | 233 | 510 | 1130.0 | STI:60603,KWP:60607 | Type2,Allosteric | Inactive | DFGout | 13.5449 | 11.0623 | BBAminus | -135.7, -168.07 | -155.88, 101.76 | -93.13, -7.53 | 306.52, 136.97 | 78.01, 999.0 | in-in | in | 8.2003 | Saltbr-in | 2.7509 | HRD-in | -76.84, -57.95 | 84.26, -8.39 | in-none-in | SNCini | none-in | ActLoopNT-none | 999.0 | ActLoopCT-in | TYR | APEdihe_iiiai | APEdist_aaai | APE10-dihe-in | -113.75, 102.42 | APE9-dihe-in | -114.18, 151.63 | APE8-dihe-in | -86.78, 85.36 | APE8-rot-na | 20.0 | APE67-dihe-in | -75.22, -6.58 | -51.86, -43.96 | APE12-dist-na | 999.0 | APE11-dist-na | 999.0 | APE10-dist-na | 999.0 | APE9-dist-in | 7.9656 | None | None | None | XRAY | 1.86 | 0.183 | 0.207 | B | 298.0 | 257.0 | 21 | 29 | 14 | 15 | [[242, 495]] | 1.0 | 6npv | 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 | 6NPVA | P00519 | 232 | 500 | 1130.0 | STI:60602,KWP:60603 | Type2,Allosteric | Inactive | DFGout | 13.575 | 11.2109 | BBAminus | -133.43, -176.32 | -147.26, 102.27 | -88.44, -2.86 | 301.02, 133.29 | 64.03, 50.03 | in-in | in | 8.1581 | Saltbr-in | 2.9685 | HRD-in | -74.61, -59.03 | 88.55, -10.34 | in-out-in | SNCioi | out-in | ActLoopNT-out | 15.7382 | ActLoopCT-in | TYR | APEdihe_iiiai | APEdist_aaai | APE10-dihe-in | -119.7, 120.65 | APE9-dihe-in | -115.73, 140.1 | APE8-dihe-in | -81.63, 87.3 | APE8-rot-na | 30.14 | APE67-dihe-in | -75.75, -5.01 | -52.83, -44.97 | APE12-dist-na | 16.3027 | APE11-dist-na | 12.2839 | APE10-dist-na | 8.7127 | APE9-dist-in | 7.7824 | None | None | None | XRAY | 1.86 | 0.183 | 0.207 | A | 298.0 | 264.0 | 5 | 29 | 29 | 0 | [[242, 495]] | 1.0 | 6npv | 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 | 6NPVB | P00519 | 233 | 510 | 1130.0 | STI:60603,KWP:60607 | Type2,Allosteric | Inactive | DFGout | 13.5449 | 11.0623 | BBAminus | -135.7, -168.07 | -155.88, 101.76 | -93.13, -7.53 | 306.52, 136.97 | 78.01, 999.0 | in-in | in | 8.2003 | Saltbr-in | 2.7509 | HRD-in | -76.84, -57.95 | 84.26, -8.39 | in-none-in | SNCini | none-in | ActLoopNT-none | 999.0 | ActLoopCT-in | TYR | APEdihe_iiiai | APEdist_aaai | APE10-dihe-in | -113.75, 102.42 | APE9-dihe-in | -114.18, 151.63 | APE8-dihe-in | -86.78, 85.36 | APE8-rot-na | 20.0 | APE67-dihe-in | -75.22, -6.58 | -51.86, -43.96 | APE12-dist-na | 999.0 | APE11-dist-na | 999.0 | APE10-dist-na | 999.0 | APE9-dist-in | 7.9656 | None | None | None | XRAY | 1.86 | 0.183 | 0.207 | B | 298.0 | 257.0 | 21 | 29 | 14 | 15 | [[242, 495]] | 1.0 | 6npv | 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 |
|---|