| 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 | 4FK6A | P23458 | 863 | 1154 | 1154.0 | 0UJ:1201 | Type1 | Inactive | DFGin | 6.5774 | 13.4134 | ABAminus | -112.19, 2.74 | -147.97, 135.94 | -128.79, 22.38 | 293.74, 90.76 | -52.95, -29.36 | in-in | in | 7.654 | Saltbr-in | 2.6738 | HRD-in | -73.71, -49.95 | 70.6, -2.02 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.8101 | ActLoopCT-out | TYR | APEdihe_oiiai | APEdist_aaai | APE10-dihe-out | -107.7, 28.56 | APE9-dihe-in | -63.18, 134.95 | APE8-dihe-in | -78.74, 77.08 | APE8-rot-na | 27.11 | APE67-dihe-in | -76.1, -2.34 | -51.26, -33.75 | APE12-dist-na | 11.3197 | APE11-dist-na | 12.8559 | APE10-dist-na | 10.101 | APE9-dist-in | 6.6455 | None | PTR1034,PTR1035 | PTR1034,PTR1035 | XRAY | 2.2 | 0.211 | 0.251 | A | 302.0 | 287.0 | 5 | 31 | 31 | 0 | [[583, 847], [875, 1151]] | 2.0 | 4fk6 | 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 | 4FK6B | P23458 | 864 | 1154 | 1154.0 | 0UJ:1201 | Type1 | Inactive | DFGin | 6.5944 | 13.4059 | ABAminus | -112.12, 2.82 | -147.85, 135.79 | -128.94, 22.08 | 293.63, 90.77 | -52.49, -30.06 | in-in | in | 7.6382 | Saltbr-in | 2.6795 | HRD-in | -73.35, -50.23 | 70.8, -1.92 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.8173 | ActLoopCT-out | TYR | APEdihe_oiiai | APEdist_aaai | APE10-dihe-out | -104.94, 28.16 | APE9-dihe-in | -62.61, 135.05 | APE8-dihe-in | -78.72, 77.07 | APE8-rot-na | 27.01 | APE67-dihe-in | -76.01, -2.17 | -51.54, -33.82 | APE12-dist-na | 11.3135 | APE11-dist-na | 12.766 | APE10-dist-na | 10.1407 | APE9-dist-in | 6.6468 | None | PTR1034,PTR1035 | PTR1034,PTR1035 | XRAY | 2.2 | 0.211 | 0.251 | B | 302.0 | 286.0 | 5 | 31 | 31 | 0 | [[583, 847], [875, 1151]] | 2.0 | 4fk6 | 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 | 4FK6A | P23458 | 863 | 1154 | 1154.0 | 0UJ:1201 | Type1 | Inactive | DFGin | 6.5774 | 13.4134 | ABAminus | -112.19, 2.74 | -147.97, 135.94 | -128.79, 22.38 | 293.74, 90.76 | -52.95, -29.36 | in-in | in | 7.654 | Saltbr-in | 2.6738 | HRD-in | -73.71, -49.95 | 70.6, -2.02 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.8101 | ActLoopCT-out | TYR | APEdihe_oiiai | APEdist_aaai | APE10-dihe-out | -107.7, 28.56 | APE9-dihe-in | -63.18, 134.95 | APE8-dihe-in | -78.74, 77.08 | APE8-rot-na | 27.11 | APE67-dihe-in | -76.1, -2.34 | -51.26, -33.75 | APE12-dist-na | 11.3197 | APE11-dist-na | 12.8559 | APE10-dist-na | 10.101 | APE9-dist-in | 6.6455 | None | PTR1034,PTR1035 | PTR1034,PTR1035 | XRAY | 2.2 | 0.211 | 0.251 | A | 302.0 | 287.0 | 5 | 31 | 31 | 0 | [[583, 847], [875, 1151]] | 2.0 | 4fk6 | 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 | 4FK6B | P23458 | 864 | 1154 | 1154.0 | 0UJ:1201 | Type1 | Inactive | DFGin | 6.5944 | 13.4059 | ABAminus | -112.12, 2.82 | -147.85, 135.79 | -128.94, 22.08 | 293.63, 90.77 | -52.49, -30.06 | in-in | in | 7.6382 | Saltbr-in | 2.6795 | HRD-in | -73.35, -50.23 | 70.8, -1.92 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.8173 | ActLoopCT-out | TYR | APEdihe_oiiai | APEdist_aaai | APE10-dihe-out | -104.94, 28.16 | APE9-dihe-in | -62.61, 135.05 | APE8-dihe-in | -78.72, 77.07 | APE8-rot-na | 27.01 | APE67-dihe-in | -76.01, -2.17 | -51.54, -33.82 | APE12-dist-na | 11.3135 | APE11-dist-na | 12.766 | APE10-dist-na | 10.1407 | APE9-dist-in | 6.6468 | None | PTR1034,PTR1035 | PTR1034,PTR1035 | XRAY | 2.2 | 0.211 | 0.251 | B | 302.0 | 286.0 | 5 | 31 | 31 | 0 | [[583, 847], [875, 1151]] | 2.0 | 4fk6 | 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 |
|---|