| 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 | 5E1EB | P23458 | 865 | 1154 | 1154.0 | 5JG:1201 | Type1 | Inactive | DFGin | 6.6155 | 13.7027 | ABAminus | -133.31, 28.19 | -149.71, 114.81 | -114.53, 26.1 | 291.32, 84.42 | -63.72, -24.05 | in-in | in | 7.7649 | Saltbr-in | 2.7841 | HRD-in | -74.91, -42.75 | 64.28, 0.85 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.8012 | ActLoopCT-out | TYR | APEdihe_oiiai | APEdist_aaai | APE10-dihe-out | -102.64, 38.4 | APE9-dihe-in | -74.25, 132.21 | APE8-dihe-in | -79.08, 75.2 | APE8-rot-na | 22.34 | APE67-dihe-in | -75.56, -2.49 | -52.66, -36.06 | APE12-dist-na | 10.8574 | APE11-dist-na | 13.3108 | APE10-dist-na | 10.0385 | APE9-dist-in | 6.8736 | None | PTR1034,PTR1035 | PTR1034,PTR1035 | XRAY | 2.3 | 0.227 | 0.268 | B | 290.0 | 282.0 | 8 | 31 | 31 | 0 | [[583, 847], [875, 1151]] | 2.0 | 5e1e | TYR_JAK1-2_HUMAN | TYR | 1.9e-87 | 298.9 | 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 | 5E1EA | P23458 | 865 | 1154 | 1154.0 | 5JG:1202 | Type1 | Inactive | DFGin | 6.6436 | 13.9325 | BLAminus | -119.33, -177.28 | 50.16, 87.79 | -101.77, 31.05 | 290.94, 82.42 | -65.82, -24.94 | in-in | in | 7.8719 | Saltbr-in | 2.7937 | HRD-in | -75.04, -43.37 | 64.83, -0.01 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.8156 | ActLoopCT-out | TYR | APEdihe_oiiai | APEdist_aaai | APE10-dihe-out | -107.99, 41.3 | APE9-dihe-in | -73.96, 132.79 | APE8-dihe-in | -79.05, 75.13 | APE8-rot-na | 22.09 | APE67-dihe-in | -75.65, -2.64 | -52.7, -35.87 | APE12-dist-na | 10.9808 | APE11-dist-na | 12.9477 | APE10-dist-na | 10.1677 | APE9-dist-in | 6.9083 | None | PTR1034,PTR1035 | PTR1034,PTR1035 | XRAY | 2.3 | 0.227 | 0.268 | A | 290.0 | 281.0 | 9 | 31 | 31 | 0 | [[583, 847], [875, 1151]] | 2.0 | 5e1e | TYR_JAK1-2_HUMAN | TYR | 1.9e-87 | 298.9 | 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 | 5E1EB | P23458 | 865 | 1154 | 1154.0 | 5JG:1201 | Type1 | Inactive | DFGin | 6.6155 | 13.7027 | ABAminus | -133.31, 28.19 | -149.71, 114.81 | -114.53, 26.1 | 291.32, 84.42 | -63.72, -24.05 | in-in | in | 7.7649 | Saltbr-in | 2.7841 | HRD-in | -74.91, -42.75 | 64.28, 0.85 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.8012 | ActLoopCT-out | TYR | APEdihe_oiiai | APEdist_aaai | APE10-dihe-out | -102.64, 38.4 | APE9-dihe-in | -74.25, 132.21 | APE8-dihe-in | -79.08, 75.2 | APE8-rot-na | 22.34 | APE67-dihe-in | -75.56, -2.49 | -52.66, -36.06 | APE12-dist-na | 10.8574 | APE11-dist-na | 13.3108 | APE10-dist-na | 10.0385 | APE9-dist-in | 6.8736 | None | PTR1034,PTR1035 | PTR1034,PTR1035 | XRAY | 2.3 | 0.227 | 0.268 | B | 290.0 | 282.0 | 8 | 31 | 31 | 0 | [[583, 847], [875, 1151]] | 2.0 | 5e1e | Homo sapiens | TYR_JAK1-2_HUMAN | TYR | 1.9e-87 | 298.9 | 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 | 5E1EA | P23458 | 865 | 1154 | 1154.0 | 5JG:1202 | Type1 | Inactive | DFGin | 6.6436 | 13.9325 | BLAminus | -119.33, -177.28 | 50.16, 87.79 | -101.77, 31.05 | 290.94, 82.42 | -65.82, -24.94 | in-in | in | 7.8719 | Saltbr-in | 2.7937 | HRD-in | -75.04, -43.37 | 64.83, -0.01 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.8156 | ActLoopCT-out | TYR | APEdihe_oiiai | APEdist_aaai | APE10-dihe-out | -107.99, 41.3 | APE9-dihe-in | -73.96, 132.79 | APE8-dihe-in | -79.05, 75.13 | APE8-rot-na | 22.09 | APE67-dihe-in | -75.65, -2.64 | -52.7, -35.87 | APE12-dist-na | 10.9808 | APE11-dist-na | 12.9477 | APE10-dist-na | 10.1677 | APE9-dist-in | 6.9083 | None | PTR1034,PTR1035 | PTR1034,PTR1035 | XRAY | 2.3 | 0.227 | 0.268 | A | 290.0 | 281.0 | 9 | 31 | 31 | 0 | [[583, 847], [875, 1151]] | 2.0 | 5e1e | Homo sapiens | TYR_JAK1-2_HUMAN | TYR | 1.9e-87 | 298.9 | 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 |
|---|