| 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 | 4E4NA | P23458 | 854 | 1154 | 1154.0 | 0NL:61201 | Type1 | Inactive | DFGin | 6.3841 | 13.5599 | ABAminus | -120.02, 11.21 | -158.48, 139.99 | -136.43, 26.78 | 297.09, 85.57 | -63.39, -21.4 | in-in | in | 7.7905 | Saltbr-in | 2.5546 | HRD-in | -80.31, -49.85 | 72.5, 4.9 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.8478 | ActLoopCT-out | TYR | APEdihe_oiiai | APEdist_aaai | APE10-dihe-out | -96.76, 48.8 | APE9-dihe-in | -75.99, 139.57 | APE8-dihe-in | -78.93, 73.17 | APE8-rot-na | 33.7 | APE67-dihe-in | -74.47, -3.41 | -60.94, -30.72 | APE12-dist-na | 11.0707 | APE11-dist-na | 12.7564 | APE10-dist-na | 10.411 | APE9-dist-in | 6.8318 | None | PTR1034,PTR1035 | PTR1034,PTR1035 | XRAY | 1.9 | 0.183 | 0.226 | A | 302.0 | 292.0 | 9 | 31 | 31 | 0 | [[583, 847], [875, 1151]] | 2.0 | 4e4n | 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 | 4E4NB | P23458 | 865 | 1154 | 1154.0 | 0NL:61201 | Type1 | Inactive | DFGin | 6.3464 | 13.5023 | ABAminus | -119.9, 9.63 | -155.68, 139.61 | -133.8, 28.11 | 297.19, 80.43 | -62.66, -24.74 | in-in | in | 7.7373 | Saltbr-in | 2.6034 | HRD-in | -78.32, -48.47 | 74.25, 0.38 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.8745 | ActLoopCT-out | TYR | APEdihe_oiiai | APEdist_aaai | APE10-dihe-out | -107.54, 49.17 | APE9-dihe-in | -76.21, 142.06 | APE8-dihe-in | -79.22, 71.62 | APE8-rot-na | 25.59 | APE67-dihe-in | -77.0, -5.97 | -60.76, -27.4 | APE12-dist-na | 11.1624 | APE11-dist-na | 12.7927 | APE10-dist-na | 10.4333 | APE9-dist-in | 6.9387 | None | PTR1034,PTR1035 | PTR1034,PTR1035 | XRAY | 1.9 | 0.183 | 0.226 | B | 302.0 | 282.0 | 8 | 31 | 31 | 0 | [[583, 847], [875, 1151]] | 2.0 | 4e4n | 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 | 4E4NA | P23458 | 854 | 1154 | 1154.0 | 0NL:61201 | Type1 | Inactive | DFGin | 6.3841 | 13.5599 | ABAminus | -120.02, 11.21 | -158.48, 139.99 | -136.43, 26.78 | 297.09, 85.57 | -63.39, -21.4 | in-in | in | 7.7905 | Saltbr-in | 2.5546 | HRD-in | -80.31, -49.85 | 72.5, 4.9 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.8478 | ActLoopCT-out | TYR | APEdihe_oiiai | APEdist_aaai | APE10-dihe-out | -96.76, 48.8 | APE9-dihe-in | -75.99, 139.57 | APE8-dihe-in | -78.93, 73.17 | APE8-rot-na | 33.7 | APE67-dihe-in | -74.47, -3.41 | -60.94, -30.72 | APE12-dist-na | 11.0707 | APE11-dist-na | 12.7564 | APE10-dist-na | 10.411 | APE9-dist-in | 6.8318 | None | PTR1034,PTR1035 | PTR1034,PTR1035 | XRAY | 1.9 | 0.183 | 0.226 | A | 302.0 | 292.0 | 9 | 31 | 31 | 0 | [[583, 847], [875, 1151]] | 2.0 | 4e4n | 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 | 4E4NB | P23458 | 865 | 1154 | 1154.0 | 0NL:61201 | Type1 | Inactive | DFGin | 6.3464 | 13.5023 | ABAminus | -119.9, 9.63 | -155.68, 139.61 | -133.8, 28.11 | 297.19, 80.43 | -62.66, -24.74 | in-in | in | 7.7373 | Saltbr-in | 2.6034 | HRD-in | -78.32, -48.47 | 74.25, 0.38 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.8745 | ActLoopCT-out | TYR | APEdihe_oiiai | APEdist_aaai | APE10-dihe-out | -107.54, 49.17 | APE9-dihe-in | -76.21, 142.06 | APE8-dihe-in | -79.22, 71.62 | APE8-rot-na | 25.59 | APE67-dihe-in | -77.0, -5.97 | -60.76, -27.4 | APE12-dist-na | 11.1624 | APE11-dist-na | 12.7927 | APE10-dist-na | 10.4333 | APE9-dist-in | 6.9387 | None | PTR1034,PTR1035 | PTR1034,PTR1035 | XRAY | 1.9 | 0.183 | 0.226 | B | 302.0 | 282.0 | 8 | 31 | 31 | 0 | [[583, 847], [875, 1151]] | 2.0 | 4e4n | 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 |
|---|