| 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 | 6N7AA | P23458 | 865 | 1154 | 1154.0 | KEV:61203 | Type1 | Inactive | DFGin | 6.4526 | 13.3666 | ABAminus | -116.98, 9.47 | -160.4, 147.32 | -135.39, 27.13 | 297.85, 83.25 | -58.95, -23.42 | in-in | in | 7.7452 | Saltbr-in | 2.7564 | HRD-in | -75.17, -44.67 | 72.8, -4.01 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.858 | ActLoopCT-in | TYR | APEdihe_iiiai | APEdist_aaai | APE10-dihe-in | -73.07, 124.84 | APE9-dihe-in | -104.44, 150.91 | APE8-dihe-in | -83.53, 72.06 | APE8-rot-na | 34.1 | APE67-dihe-in | -76.43, -2.54 | -56.05, -29.88 | APE12-dist-na | 14.6585 | APE11-dist-na | 9.2784 | APE10-dist-na | 12.111 | APE9-dist-in | 7.138 | None | PTR1034,PTR1035 | PTR1034,PTR1035 | XRAY | 1.33 | 0.192 | 0.207 | A | 304.0 | 278.0 | 12 | 31 | 31 | 0 | [[583, 847], [875, 1151]] | 2.0 | 6n7a | 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 | 6N7AB | P23458 | 854 | 1154 | 1154.0 | KEV:61202 | Type1 | Inactive | DFGin | 6.4703 | 13.4982 | ABAminus | -116.23, 10.2 | -162.11, 148.53 | -137.01, 27.49 | 296.62, 85.6 | -60.22, -22.88 | in-in | in | 7.7761 | Saltbr-in | 2.7552 | HRD-in | -73.34, -48.05 | 70.64, 1.99 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.8043 | ActLoopCT-in | TYR | APEdihe_iiiai | APEdist_aaai | APE10-dihe-in | -94.78, 65.84 | APE9-dihe-in | -92.65, 132.46 | APE8-dihe-in | -84.19, 73.36 | APE8-rot-na | 33.1 | APE67-dihe-in | -76.82, -1.21 | -55.1, -31.23 | APE12-dist-na | 10.789 | APE11-dist-na | 11.6888 | APE10-dist-na | 9.266 | APE9-dist-in | 6.8188 | None | PTR1034,PTR1035 | PTR1034,PTR1035 | XRAY | 1.33 | 0.192 | 0.207 | B | 304.0 | 291.0 | 10 | 31 | 31 | 0 | [[583, 847], [875, 1151]] | 2.0 | 6n7a | 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 | 6N7AA | P23458 | 865 | 1154 | 1154.0 | KEV:61203 | Type1 | Inactive | DFGin | 6.4526 | 13.3666 | ABAminus | -116.98, 9.47 | -160.4, 147.32 | -135.39, 27.13 | 297.85, 83.25 | -58.95, -23.42 | in-in | in | 7.7452 | Saltbr-in | 2.7564 | HRD-in | -75.17, -44.67 | 72.8, -4.01 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.858 | ActLoopCT-in | TYR | APEdihe_iiiai | APEdist_aaai | APE10-dihe-in | -73.07, 124.84 | APE9-dihe-in | -104.44, 150.91 | APE8-dihe-in | -83.53, 72.06 | APE8-rot-na | 34.1 | APE67-dihe-in | -76.43, -2.54 | -56.05, -29.88 | APE12-dist-na | 14.6585 | APE11-dist-na | 9.2784 | APE10-dist-na | 12.111 | APE9-dist-in | 7.138 | None | PTR1034,PTR1035 | PTR1034,PTR1035 | XRAY | 1.33 | 0.192 | 0.207 | A | 304.0 | 278.0 | 12 | 31 | 31 | 0 | [[583, 847], [875, 1151]] | 2.0 | 6n7a | 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 | 6N7AB | P23458 | 854 | 1154 | 1154.0 | KEV:61202 | Type1 | Inactive | DFGin | 6.4703 | 13.4982 | ABAminus | -116.23, 10.2 | -162.11, 148.53 | -137.01, 27.49 | 296.62, 85.6 | -60.22, -22.88 | in-in | in | 7.7761 | Saltbr-in | 2.7552 | HRD-in | -73.34, -48.05 | 70.64, 1.99 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.8043 | ActLoopCT-in | TYR | APEdihe_iiiai | APEdist_aaai | APE10-dihe-in | -94.78, 65.84 | APE9-dihe-in | -92.65, 132.46 | APE8-dihe-in | -84.19, 73.36 | APE8-rot-na | 33.1 | APE67-dihe-in | -76.82, -1.21 | -55.1, -31.23 | APE12-dist-na | 10.789 | APE11-dist-na | 11.6888 | APE10-dist-na | 9.266 | APE9-dist-in | 6.8188 | None | PTR1034,PTR1035 | PTR1034,PTR1035 | XRAY | 1.33 | 0.192 | 0.207 | B | 304.0 | 291.0 | 10 | 31 | 31 | 0 | [[583, 847], [875, 1151]] | 2.0 | 6n7a | 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 |
|---|