| 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 | 2HYYA | P00519 | 235 | 498 | 1130.0 | STI:600 | Type2 | Inactive | DFGout | 13.4478 | 10.9363 | BBAminus | -136.71, -169.54 | -156.86, 107.67 | -99.35, 1.46 | 307.94, 127.18 | 66.47, 52.08 | in-in | in | 8.2395 | Saltbr-in | 3.0042 | HRD-in | -68.42, -63.13 | 91.16, -9.54 | in-out-in | SNCioi | out-in | ActLoopNT-out | 16.0994 | ActLoopCT-in | TYR | APEdihe_iiiai | APEdist_aaai | APE10-dihe-in | -111.4, 131.38 | APE9-dihe-in | -122.46, 141.0 | APE8-dihe-in | -82.09, 92.82 | APE8-rot-na | 22.51 | APE67-dihe-in | -74.51, -8.92 | -44.66, -47.4 | APE12-dist-na | 14.4582 | APE11-dist-na | 11.9011 | APE10-dist-na | 8.4151 | APE9-dist-in | 7.3935 | None | None | None | XRAY | 2.4 | 0.208 | 0.267 | A | 273.0 | 263.0 | 1 | 29 | 29 | 0 | [[242, 495]] | 1.0 | 2hyy | 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 | 2HYYB | P00519 | 233 | 498 | 1130.0 | STI:600 | Type2 | Inactive | DFGout | 13.6073 | 10.8376 | BBAminus | -140.46, -179.87 | -145.37, 104.9 | -88.0, -4.17 | 302.17, 134.32 | 68.19, 47.44 | in-in | in | 8.468 | Saltbr-in | 2.9739 | HRD-in | -72.33, -53.74 | 81.02, -14.85 | in-out-in | SNCioi | out-in | ActLoopNT-out | 15.7155 | ActLoopCT-in | TYR | APEdihe_iiiai | APEdist_aaai | APE10-dihe-in | -110.08, 127.85 | APE9-dihe-in | -116.06, 145.63 | APE8-dihe-in | -88.84, 91.14 | APE8-rot-na | 22.78 | APE67-dihe-in | -77.2, -5.94 | -46.52, -42.21 | APE12-dist-na | 14.4786 | APE11-dist-na | 11.9487 | APE10-dist-na | 8.4213 | APE9-dist-in | 7.4165 | None | None | None | XRAY | 2.4 | 0.208 | 0.267 | B | 273.0 | 265.0 | 1 | 29 | 29 | 0 | [[242, 495]] | 1.0 | 2hyy | 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 | 2HYYC | P00519 | 233 | 498 | 1130.0 | STI:600 | Type2 | Inactive | DFGout | 13.817 | 11.1447 | BBAminus | -136.58, -170.43 | -156.15, 102.72 | -91.16, -2.19 | 306.71, 138.1 | 61.3, 49.16 | in-in | in | 8.2912 | Saltbr-in | 3.4095 | HRD-in | -75.29, -48.77 | 83.65, -17.42 | in-out-in | SNCioi | out-in | ActLoopNT-out | 15.6362 | ActLoopCT-in | TYR | APEdihe_iiiai | APEdist_aaai | APE10-dihe-in | -113.7, 128.89 | APE9-dihe-in | -132.69, 141.39 | APE8-dihe-in | -86.44, 89.34 | APE8-rot-na | 30.23 | APE67-dihe-in | -75.71, -10.45 | -48.99, -40.28 | APE12-dist-na | 15.6276 | APE11-dist-na | 13.5323 | APE10-dist-na | 8.7762 | APE9-dist-in | 7.5146 | None | None | None | XRAY | 2.4 | 0.208 | 0.267 | C | 273.0 | 262.0 | 4 | 29 | 26 | 3 | [[242, 495]] | 1.0 | 2hyy | 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 | 2HYYD | P00519 | 233 | 498 | 1130.0 | STI:600 | Type2 | Inactive | DFGout | 13.6269 | 11.0079 | BBAminus | -135.11, -170.82 | -155.12, 109.43 | -96.64, 9.5 | 309.68, 132.23 | 60.03, 43.1 | in-in | in | 8.0089 | Saltbr-in | 2.7581 | HRD-in | -69.95, -55.57 | 86.15, -21.95 | in-out-in | SNCioi | out-in | ActLoopNT-out | 15.3354 | ActLoopCT-in | TYR | APEdihe_iiiai | APEdist_aaai | APE10-dihe-in | -105.41, 121.23 | APE9-dihe-in | -126.0, 140.68 | APE8-dihe-in | -79.93, 90.29 | APE8-rot-na | 35.26 | APE67-dihe-in | -80.44, -14.01 | -57.15, -31.16 | APE12-dist-na | 15.6748 | APE11-dist-na | 13.4748 | APE10-dist-na | 8.574 | APE9-dist-in | 7.5548 | None | None | None | XRAY | 2.4 | 0.208 | 0.267 | D | 273.0 | 264.0 | 2 | 29 | 29 | 0 | [[242, 495]] | 1.0 | 2hyy | 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 | 2HYYA | P00519 | 235 | 498 | 1130.0 | STI:600 | Type2 | Inactive | DFGout | 13.4478 | 10.9363 | BBAminus | -136.71, -169.54 | -156.86, 107.67 | -99.35, 1.46 | 307.94, 127.18 | 66.47, 52.08 | in-in | in | 8.2395 | Saltbr-in | 3.0042 | HRD-in | -68.42, -63.13 | 91.16, -9.54 | in-out-in | SNCioi | out-in | ActLoopNT-out | 16.0994 | ActLoopCT-in | TYR | APEdihe_iiiai | APEdist_aaai | APE10-dihe-in | -111.4, 131.38 | APE9-dihe-in | -122.46, 141.0 | APE8-dihe-in | -82.09, 92.82 | APE8-rot-na | 22.51 | APE67-dihe-in | -74.51, -8.92 | -44.66, -47.4 | APE12-dist-na | 14.4582 | APE11-dist-na | 11.9011 | APE10-dist-na | 8.4151 | APE9-dist-in | 7.3935 | None | None | None | XRAY | 2.4 | 0.208 | 0.267 | A | 273.0 | 263.0 | 1 | 29 | 29 | 0 | [[242, 495]] | 1.0 | 2hyy | 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 | 2HYYB | P00519 | 233 | 498 | 1130.0 | STI:600 | Type2 | Inactive | DFGout | 13.6073 | 10.8376 | BBAminus | -140.46, -179.87 | -145.37, 104.9 | -88.0, -4.17 | 302.17, 134.32 | 68.19, 47.44 | in-in | in | 8.468 | Saltbr-in | 2.9739 | HRD-in | -72.33, -53.74 | 81.02, -14.85 | in-out-in | SNCioi | out-in | ActLoopNT-out | 15.7155 | ActLoopCT-in | TYR | APEdihe_iiiai | APEdist_aaai | APE10-dihe-in | -110.08, 127.85 | APE9-dihe-in | -116.06, 145.63 | APE8-dihe-in | -88.84, 91.14 | APE8-rot-na | 22.78 | APE67-dihe-in | -77.2, -5.94 | -46.52, -42.21 | APE12-dist-na | 14.4786 | APE11-dist-na | 11.9487 | APE10-dist-na | 8.4213 | APE9-dist-in | 7.4165 | None | None | None | XRAY | 2.4 | 0.208 | 0.267 | B | 273.0 | 265.0 | 1 | 29 | 29 | 0 | [[242, 495]] | 1.0 | 2hyy | 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 | 2HYYC | P00519 | 233 | 498 | 1130.0 | STI:600 | Type2 | Inactive | DFGout | 13.817 | 11.1447 | BBAminus | -136.58, -170.43 | -156.15, 102.72 | -91.16, -2.19 | 306.71, 138.1 | 61.3, 49.16 | in-in | in | 8.2912 | Saltbr-in | 3.4095 | HRD-in | -75.29, -48.77 | 83.65, -17.42 | in-out-in | SNCioi | out-in | ActLoopNT-out | 15.6362 | ActLoopCT-in | TYR | APEdihe_iiiai | APEdist_aaai | APE10-dihe-in | -113.7, 128.89 | APE9-dihe-in | -132.69, 141.39 | APE8-dihe-in | -86.44, 89.34 | APE8-rot-na | 30.23 | APE67-dihe-in | -75.71, -10.45 | -48.99, -40.28 | APE12-dist-na | 15.6276 | APE11-dist-na | 13.5323 | APE10-dist-na | 8.7762 | APE9-dist-in | 7.5146 | None | None | None | XRAY | 2.4 | 0.208 | 0.267 | C | 273.0 | 262.0 | 4 | 29 | 26 | 3 | [[242, 495]] | 1.0 | 2hyy | 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 | 2HYYD | P00519 | 233 | 498 | 1130.0 | STI:600 | Type2 | Inactive | DFGout | 13.6269 | 11.0079 | BBAminus | -135.11, -170.82 | -155.12, 109.43 | -96.64, 9.5 | 309.68, 132.23 | 60.03, 43.1 | in-in | in | 8.0089 | Saltbr-in | 2.7581 | HRD-in | -69.95, -55.57 | 86.15, -21.95 | in-out-in | SNCioi | out-in | ActLoopNT-out | 15.3354 | ActLoopCT-in | TYR | APEdihe_iiiai | APEdist_aaai | APE10-dihe-in | -105.41, 121.23 | APE9-dihe-in | -126.0, 140.68 | APE8-dihe-in | -79.93, 90.29 | APE8-rot-na | 35.26 | APE67-dihe-in | -80.44, -14.01 | -57.15, -31.16 | APE12-dist-na | 15.6748 | APE11-dist-na | 13.4748 | APE10-dist-na | 8.574 | APE9-dist-in | 7.5548 | None | None | None | XRAY | 2.4 | 0.208 | 0.267 | D | 273.0 | 264.0 | 2 | 29 | 29 | 0 | [[242, 495]] | 1.0 | 2hyy | 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 |
|---|