| 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 | ALK | ALK_HUMAN | 4DCEA | Q9UM73 | 1093 | 1402 | 1620.0 | 0JF:1501 | Type1 | Inactive | DFGin | 5.6296 | 13.8228 | None | -137.27, 16.47 | -161.52, 152.14 | -94.73, 164.26 | 291.72, 122.64 | -76.17, 999.0 | in-in | in | 8.4822 | Saltbr-in | 2.8829 | HRD-in | -75.4, -48.78 | 85.77, -10.33 | in-none-out | SNCino | none-out | ActLoopNT-none | 999.0 | ActLoopCT-out | TYR | APEdihe_oiiai | APEdist_aaai | APE10-dihe-out | -96.83, -20.84 | APE9-dihe-in | -55.51, 136.7 | APE8-dihe-in | -77.28, 70.08 | APE8-rot-na | 28.6 | APE67-dihe-in | -68.31, -8.92 | -56.77, -41.62 | APE12-dist-na | 999.0 | APE11-dist-na | 999.0 | APE10-dist-na | 999.0 | APE9-dist-in | 7.9739 | C1097S | None | None | XRAY | 2.03 | 0.211 | 0.256 | A | 333.0 | 288.0 | 22 | 30 | 16 | 14 | [[1116, 1385]] | 1.0 | 4dce | TYR_ALK_HUMAN | TYR | 1.5e-90 | 309.0 | 1.0 | 260.0 | 260.0 | 1269 | 1270 | 1271 | 1273 | 1275 | 1150 | 1167 | 1171 | 1246 | 1248 | 1247 | 1249.0 | 1311 | 1299 | 1294 | 1293 | 1292 | 1291 | 1290 | 1289 | 1288 | 1197 | ALK tyrosine kinase receptor |
| TYR | ALK | ALK_HUMAN | 4DCEB | Q9UM73 | 1094 | 1402 | 1620.0 | 0JF:1501 | Type1 | Inactive | DFGin | 5.7474 | 13.6282 | None | -141.04, 18.73 | -165.26, 150.02 | -96.5, 167.37 | 286.77, 120.17 | -70.38, 999.0 | in-in | in | 8.5634 | Saltbr-in | 2.9896 | HRD-in | -72.56, -48.26 | 83.87, -14.3 | in-none-out | SNCino | none-out | ActLoopNT-none | 999.0 | ActLoopCT-out | TYR | APEdihe_oiiai | APEdist_aaao | APE10-dihe-out | -96.41, -12.56 | APE9-dihe-in | -59.98, 136.0 | APE8-dihe-in | -80.48, 64.18 | APE8-rot-na | 31.8 | APE67-dihe-in | -66.1, -14.3 | -52.07, -41.53 | APE12-dist-na | 999.0 | APE11-dist-na | 999.0 | APE10-dist-na | 999.0 | APE9-dist-out | 8.7127 | C1097S | None | None | XRAY | 2.03 | 0.211 | 0.256 | B | 333.0 | 284.0 | 25 | 30 | 15 | 15 | [[1116, 1385]] | 1.0 | 4dce | TYR_ALK_HUMAN | TYR | 1.5e-90 | 309.0 | 1.0 | 260.0 | 260.0 | 1269 | 1270 | 1271 | 1273 | 1275 | 1150 | 1167 | 1171 | 1246 | 1248 | 1247 | 1249.0 | 1311 | 1299 | 1294 | 1293 | 1292 | 1291 | 1290 | 1289 | 1288 | 1197 | ALK tyrosine kinase receptor |
| 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 | ALK | ALK_HUMAN | 4DCEA | Q9UM73 | 1093 | 1402 | 1620.0 | 0JF:1501 | Type1 | Inactive | DFGin | 5.6296 | 13.8228 | None | -137.27, 16.47 | -161.52, 152.14 | -94.73, 164.26 | 291.72, 122.64 | -76.17, 999.0 | in-in | in | 8.4822 | Saltbr-in | 2.8829 | HRD-in | -75.4, -48.78 | 85.77, -10.33 | in-none-out | SNCino | none-out | ActLoopNT-none | 999.0 | ActLoopCT-out | TYR | APEdihe_oiiai | APEdist_aaai | APE10-dihe-out | -96.83, -20.84 | APE9-dihe-in | -55.51, 136.7 | APE8-dihe-in | -77.28, 70.08 | APE8-rot-na | 28.6 | APE67-dihe-in | -68.31, -8.92 | -56.77, -41.62 | APE12-dist-na | 999.0 | APE11-dist-na | 999.0 | APE10-dist-na | 999.0 | APE9-dist-in | 7.9739 | C1097S | None | None | XRAY | 2.03 | 0.211 | 0.256 | A | 333.0 | 288.0 | 22 | 30 | 16 | 14 | [[1116, 1385]] | 1.0 | 4dce | Homo sapiens | TYR_ALK_HUMAN | TYR | 1.5e-90 | 309.0 | 1.0 | 260.0 | 260.0 | 1269 | 1270 | 1271 | 1273 | 1275 | 1150 | 1167 | 1171 | 1246 | 1248 | 1247 | 1249.0 | 1311 | 1299 | 1294 | 1293 | 1292 | 1291 | 1290 | 1289 | 1288 | 1197 | ALK tyrosine kinase receptor |
| TYR | ALK | ALK_HUMAN | 4DCEB | Q9UM73 | 1094 | 1402 | 1620.0 | 0JF:1501 | Type1 | Inactive | DFGin | 5.7474 | 13.6282 | None | -141.04, 18.73 | -165.26, 150.02 | -96.5, 167.37 | 286.77, 120.17 | -70.38, 999.0 | in-in | in | 8.5634 | Saltbr-in | 2.9896 | HRD-in | -72.56, -48.26 | 83.87, -14.3 | in-none-out | SNCino | none-out | ActLoopNT-none | 999.0 | ActLoopCT-out | TYR | APEdihe_oiiai | APEdist_aaao | APE10-dihe-out | -96.41, -12.56 | APE9-dihe-in | -59.98, 136.0 | APE8-dihe-in | -80.48, 64.18 | APE8-rot-na | 31.8 | APE67-dihe-in | -66.1, -14.3 | -52.07, -41.53 | APE12-dist-na | 999.0 | APE11-dist-na | 999.0 | APE10-dist-na | 999.0 | APE9-dist-out | 8.7127 | C1097S | None | None | XRAY | 2.03 | 0.211 | 0.256 | B | 333.0 | 284.0 | 25 | 30 | 15 | 15 | [[1116, 1385]] | 1.0 | 4dce | Homo sapiens | TYR_ALK_HUMAN | TYR | 1.5e-90 | 309.0 | 1.0 | 260.0 | 260.0 | 1269 | 1270 | 1271 | 1273 | 1275 | 1150 | 1167 | 1171 | 1246 | 1248 | 1247 | 1249.0 | 1311 | 1299 | 1294 | 1293 | 1292 | 1291 | 1290 | 1289 | 1288 | 1197 | ALK tyrosine kinase receptor |
| 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 |
|---|