| 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 | 6TPFA | P23458 | 864 | 1153 | 1154.0 | NTQ:1201 | Type1 | Inactive | DFGin | 6.5489 | 13.5659 | ABAminus | -112.13, 4.42 | -147.17, 134.74 | -132.51, 36.57 | 297.52, 87.9 | -61.56, -38.59 | in-in | in | 7.9072 | Saltbr-in | 2.7233 | HRD-in | -81.26, -43.5 | 66.58, 8.45 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.7552 | ActLoopCT-out | TYR | APEdihe_oiiai | APEdist_aaai | APE10-dihe-out | -113.97, 47.61 | APE9-dihe-in | -75.75, 153.17 | APE8-dihe-in | -82.59, 85.83 | APE8-rot-na | 32.54 | APE67-dihe-in | -74.51, -8.6 | -66.85, -35.11 | APE12-dist-na | 10.9508 | APE11-dist-na | 12.7019 | APE10-dist-na | 10.9448 | APE9-dist-in | 6.7022 | None | PTR1034,PTR1035 | PTR1034,PTR1035 | XRAY | 2.31 | 0.266 | 0.327 | A | 291.0 | 288.0 | 2 | 31 | 31 | 0 | [[583, 847], [875, 1151]] | 2.0 | 6tpf | TYR_JAK1-2_HUMAN | TYR | 1.9e-87 | 298.8 | 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 | 6TPFB | P23458 | 865 | 1153 | 1154.0 | NTQ:1201 | Type1 | Inactive | DFGin | 6.5159 | 13.6075 | ABAminus | -112.38, 6.69 | -146.72, 134.6 | -130.81, 35.94 | 297.58, 85.61 | -65.62, -37.25 | in-in | in | 7.8432 | Saltbr-in | 2.7199 | HRD-in | -83.36, -42.45 | 66.49, 9.9 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.7624 | ActLoopCT-out | TYR | APEdihe_oiiai | APEdist_aaai | APE10-dihe-out | 46.13, 45.8 | APE9-dihe-in | -71.68, 152.43 | APE8-dihe-in | -82.66, 85.94 | APE8-rot-na | 32.5 | APE67-dihe-in | -74.85, -9.43 | -66.05, -35.76 | APE12-dist-na | 10.9678 | APE11-dist-na | 12.3423 | APE10-dist-na | 11.4191 | APE9-dist-in | 6.666 | None | PTR1034,PTR1035 | PTR1034,PTR1035 | XRAY | 2.31 | 0.266 | 0.327 | B | 291.0 | 278.0 | 11 | 31 | 31 | 0 | [[583, 847], [875, 1151]] | 2.0 | 6tpf | TYR_JAK1-2_HUMAN | TYR | 1.9e-87 | 298.8 | 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 | 6TPFA | P23458 | 864 | 1153 | 1154.0 | NTQ:1201 | Type1 | Inactive | DFGin | 6.5489 | 13.5659 | ABAminus | -112.13, 4.42 | -147.17, 134.74 | -132.51, 36.57 | 297.52, 87.9 | -61.56, -38.59 | in-in | in | 7.9072 | Saltbr-in | 2.7233 | HRD-in | -81.26, -43.5 | 66.58, 8.45 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.7552 | ActLoopCT-out | TYR | APEdihe_oiiai | APEdist_aaai | APE10-dihe-out | -113.97, 47.61 | APE9-dihe-in | -75.75, 153.17 | APE8-dihe-in | -82.59, 85.83 | APE8-rot-na | 32.54 | APE67-dihe-in | -74.51, -8.6 | -66.85, -35.11 | APE12-dist-na | 10.9508 | APE11-dist-na | 12.7019 | APE10-dist-na | 10.9448 | APE9-dist-in | 6.7022 | None | PTR1034,PTR1035 | PTR1034,PTR1035 | XRAY | 2.31 | 0.266 | 0.327 | A | 291.0 | 288.0 | 2 | 31 | 31 | 0 | [[583, 847], [875, 1151]] | 2.0 | 6tpf | Homo sapiens | TYR_JAK1-2_HUMAN | TYR | 1.9e-87 | 298.8 | 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 | 6TPFB | P23458 | 865 | 1153 | 1154.0 | NTQ:1201 | Type1 | Inactive | DFGin | 6.5159 | 13.6075 | ABAminus | -112.38, 6.69 | -146.72, 134.6 | -130.81, 35.94 | 297.58, 85.61 | -65.62, -37.25 | in-in | in | 7.8432 | Saltbr-in | 2.7199 | HRD-in | -83.36, -42.45 | 66.49, 9.9 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.7624 | ActLoopCT-out | TYR | APEdihe_oiiai | APEdist_aaai | APE10-dihe-out | 46.13, 45.8 | APE9-dihe-in | -71.68, 152.43 | APE8-dihe-in | -82.66, 85.94 | APE8-rot-na | 32.5 | APE67-dihe-in | -74.85, -9.43 | -66.05, -35.76 | APE12-dist-na | 10.9678 | APE11-dist-na | 12.3423 | APE10-dist-na | 11.4191 | APE9-dist-in | 6.666 | None | PTR1034,PTR1035 | PTR1034,PTR1035 | XRAY | 2.31 | 0.266 | 0.327 | B | 291.0 | 278.0 | 11 | 31 | 31 | 0 | [[583, 847], [875, 1151]] | 2.0 | 6tpf | Homo sapiens | TYR_JAK1-2_HUMAN | TYR | 1.9e-87 | 298.8 | 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 |
|---|