| 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 | JAK1-2 | JAK1_HUMAN | 6HZUA | P23458 | 854 | 1154 | 1154.0 | GYQ:61201 | Type1 | Inactive | DFGin | 6.4583 | 13.248 | ABAminus | -115.79, 10.1 | -155.61, 143.2 | -135.89, 34.69 | 298.64, 85.33 | -68.92, -23.66 | in-in | in | 7.8907 | Saltbr-in | 2.6049 | HRD-in | -70.11, -45.53 | 64.37, 7.1 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.7677 | ActLoopCT-out | TYR | APEdihe_oiiai | APEdist_aaai | APE10-dihe-out | -94.73, 34.76 | APE9-dihe-in | -73.48, 139.36 | APE8-dihe-in | -81.86, 74.79 | APE8-rot-na | 30.37 | APE67-dihe-in | -72.43, -9.67 | -55.59, -34.31 | APE12-dist-na | 10.9672 | APE11-dist-na | 13.1742 | APE10-dist-na | 9.8871 | APE9-dist-in | 6.8026 | None | PTR1034,PTR1035 | PTR1034,PTR1035 | XRAY | 2.2 | 0.204 | 0.265 | A | 302.0 | 293.0 | 8 | 31 | 31 | 0 | [[583, 847], [875, 1151]] | 2.0 | 6hzu | TYR_JAK1-2_HUMAN | TYR | 2.2e-87 | 298.6 | 2.0 | 259.0 | 258.0 | 1020 | 1021 | 1022 | 1024 | 1026 | 908 | 925 | 929 | 1000 | 1002 | 1001 | 1003.0 | 1063 | 1051 | 1046 | 1045 | 1044 | 1043 | 1042 | 1041 | 1040 | 957 | Tyrosine-protein kinase JAK1 |
| TYR | JAK1-2 | JAK1_HUMAN | 6HZUB | P23458 | 865 | 1154 | 1154.0 | GYQ:61201 | Type1 | Inactive | DFGin | 6.4433 | 13.2473 | ABAminus | -119.96, 0.48 | -155.13, 140.72 | -132.65, 33.96 | 299.27, 84.27 | -60.17, -34.27 | in-in | in | 8.0228 | Saltbr-in | 2.7023 | HRD-in | -82.42, -47.78 | 71.93, 4.63 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.9233 | ActLoopCT-out | TYR | APEdihe_oiiai | APEdist_aaai | APE10-dihe-out | -93.89, 29.59 | APE9-dihe-in | -63.03, 138.85 | APE8-dihe-in | -81.19, 78.97 | APE8-rot-na | 31.69 | APE67-dihe-in | -73.96, -7.04 | -62.12, -30.09 | APE12-dist-na | 11.006 | APE11-dist-na | 13.2245 | APE10-dist-na | 9.8851 | APE9-dist-in | 6.6567 | None | PTR1034,PTR1035 | PTR1034,PTR1035 | XRAY | 2.2 | 0.204 | 0.265 | B | 302.0 | 285.0 | 5 | 31 | 31 | 0 | [[583, 847], [875, 1151]] | 2.0 | 6hzu | TYR_JAK1-2_HUMAN | TYR | 2.2e-87 | 298.6 | 2.0 | 259.0 | 258.0 | 1020 | 1021 | 1022 | 1024 | 1026 | 908 | 925 | 929 | 1000 | 1002 | 1001 | 1003.0 | 1063 | 1051 | 1046 | 1045 | 1044 | 1043 | 1042 | 1041 | 1040 | 957 | Tyrosine-protein kinase JAK1 |
| 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 | JAK1-2 | JAK1_HUMAN | 6HZUA | P23458 | 854 | 1154 | 1154.0 | GYQ:61201 | Type1 | Inactive | DFGin | 6.4583 | 13.248 | ABAminus | -115.79, 10.1 | -155.61, 143.2 | -135.89, 34.69 | 298.64, 85.33 | -68.92, -23.66 | in-in | in | 7.8907 | Saltbr-in | 2.6049 | HRD-in | -70.11, -45.53 | 64.37, 7.1 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.7677 | ActLoopCT-out | TYR | APEdihe_oiiai | APEdist_aaai | APE10-dihe-out | -94.73, 34.76 | APE9-dihe-in | -73.48, 139.36 | APE8-dihe-in | -81.86, 74.79 | APE8-rot-na | 30.37 | APE67-dihe-in | -72.43, -9.67 | -55.59, -34.31 | APE12-dist-na | 10.9672 | APE11-dist-na | 13.1742 | APE10-dist-na | 9.8871 | APE9-dist-in | 6.8026 | None | PTR1034,PTR1035 | PTR1034,PTR1035 | XRAY | 2.2 | 0.204 | 0.265 | A | 302.0 | 293.0 | 8 | 31 | 31 | 0 | [[583, 847], [875, 1151]] | 2.0 | 6hzu | Homo sapiens | TYR_JAK1-2_HUMAN | TYR | 2.2e-87 | 298.6 | 2.0 | 259.0 | 258.0 | 1020 | 1021 | 1022 | 1024 | 1026 | 908 | 925 | 929 | 1000 | 1002 | 1001 | 1003.0 | 1063 | 1051 | 1046 | 1045 | 1044 | 1043 | 1042 | 1041 | 1040 | 957 | Tyrosine-protein kinase JAK1 |
| TYR | JAK1-2 | JAK1_HUMAN | 6HZUB | P23458 | 865 | 1154 | 1154.0 | GYQ:61201 | Type1 | Inactive | DFGin | 6.4433 | 13.2473 | ABAminus | -119.96, 0.48 | -155.13, 140.72 | -132.65, 33.96 | 299.27, 84.27 | -60.17, -34.27 | in-in | in | 8.0228 | Saltbr-in | 2.7023 | HRD-in | -82.42, -47.78 | 71.93, 4.63 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.9233 | ActLoopCT-out | TYR | APEdihe_oiiai | APEdist_aaai | APE10-dihe-out | -93.89, 29.59 | APE9-dihe-in | -63.03, 138.85 | APE8-dihe-in | -81.19, 78.97 | APE8-rot-na | 31.69 | APE67-dihe-in | -73.96, -7.04 | -62.12, -30.09 | APE12-dist-na | 11.006 | APE11-dist-na | 13.2245 | APE10-dist-na | 9.8851 | APE9-dist-in | 6.6567 | None | PTR1034,PTR1035 | PTR1034,PTR1035 | XRAY | 2.2 | 0.204 | 0.265 | B | 302.0 | 285.0 | 5 | 31 | 31 | 0 | [[583, 847], [875, 1151]] | 2.0 | 6hzu | Homo sapiens | TYR_JAK1-2_HUMAN | TYR | 2.2e-87 | 298.6 | 2.0 | 259.0 | 258.0 | 1020 | 1021 | 1022 | 1024 | 1026 | 908 | 925 | 929 | 1000 | 1002 | 1001 | 1003.0 | 1063 | 1051 | 1046 | 1045 | 1044 | 1043 | 1042 | 1041 | 1040 | 957 | Tyrosine-protein kinase JAK1 |
| 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 |
|---|