| 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 | 6AAHA | P23458 | 865 | 1154 | 1154.0 | 9T6:1201 | Type1 | Inactive | DFGin | 6.3189 | 13.4568 | ABAminus | -111.86, -1.07 | -147.59, 142.74 | -130.77, 31.7 | 296.21, 81.89 | -59.29, -31.87 | in-in | in | 7.8369 | Saltbr-in | 2.7851 | HRD-in | -79.04, -51.9 | 74.79, 8.24 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.804 | ActLoopCT-out | TYR | APEdihe_oiiai | APEdist_aaai | APE10-dihe-out | -100.78, 24.87 | APE9-dihe-in | -65.36, 146.43 | APE8-dihe-in | -84.69, 80.23 | APE8-rot-na | 32.65 | APE67-dihe-in | -73.6, -4.54 | -60.24, -33.63 | APE12-dist-na | 10.5006 | APE11-dist-na | 13.0658 | APE10-dist-na | 9.9007 | APE9-dist-in | 6.4221 | None | PTR1034,PTR1035 | PTR1034,PTR1035 | XRAY | 1.83 | 0.225 | 0.255 | A | 290.0 | 285.0 | 5 | 31 | 31 | 0 | [[583, 847], [875, 1151]] | 2.0 | 6aah | 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 | 6AAHB | P23458 | 865 | 1154 | 1154.0 | 9T6:1201 | Type1 | Inactive | DFGin | 6.4616 | 13.5876 | ABAminus | -114.68, 9.66 | -151.81, 133.96 | -131.35, 23.59 | 291.95, 87.28 | -61.54, -23.21 | in-in | in | 8.0413 | Saltbr-in | 2.6139 | HRD-in | -74.7, -48.84 | 74.08, 5.49 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.7826 | ActLoopCT-in | TYR | APEdihe_iiiai | APEdist_aaai | APE10-dihe-in | -85.14, 67.65 | APE9-dihe-in | -109.05, 132.69 | APE8-dihe-in | -79.19, 76.3 | APE8-rot-na | 35.14 | APE67-dihe-in | -76.24, -3.1 | -57.7, -33.14 | APE12-dist-na | 10.1909 | APE11-dist-na | 12.4612 | APE10-dist-na | 9.1413 | APE9-dist-in | 6.5428 | None | PTR1034,PTR1035 | PTR1034,PTR1035 | XRAY | 1.83 | 0.225 | 0.255 | B | 290.0 | 286.0 | 4 | 31 | 31 | 0 | [[583, 847], [875, 1151]] | 2.0 | 6aah | 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 | 6AAHA | P23458 | 865 | 1154 | 1154.0 | 9T6:1201 | Type1 | Inactive | DFGin | 6.3189 | 13.4568 | ABAminus | -111.86, -1.07 | -147.59, 142.74 | -130.77, 31.7 | 296.21, 81.89 | -59.29, -31.87 | in-in | in | 7.8369 | Saltbr-in | 2.7851 | HRD-in | -79.04, -51.9 | 74.79, 8.24 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.804 | ActLoopCT-out | TYR | APEdihe_oiiai | APEdist_aaai | APE10-dihe-out | -100.78, 24.87 | APE9-dihe-in | -65.36, 146.43 | APE8-dihe-in | -84.69, 80.23 | APE8-rot-na | 32.65 | APE67-dihe-in | -73.6, -4.54 | -60.24, -33.63 | APE12-dist-na | 10.5006 | APE11-dist-na | 13.0658 | APE10-dist-na | 9.9007 | APE9-dist-in | 6.4221 | None | PTR1034,PTR1035 | PTR1034,PTR1035 | XRAY | 1.83 | 0.225 | 0.255 | A | 290.0 | 285.0 | 5 | 31 | 31 | 0 | [[583, 847], [875, 1151]] | 2.0 | 6aah | 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 | 6AAHB | P23458 | 865 | 1154 | 1154.0 | 9T6:1201 | Type1 | Inactive | DFGin | 6.4616 | 13.5876 | ABAminus | -114.68, 9.66 | -151.81, 133.96 | -131.35, 23.59 | 291.95, 87.28 | -61.54, -23.21 | in-in | in | 8.0413 | Saltbr-in | 2.6139 | HRD-in | -74.7, -48.84 | 74.08, 5.49 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.7826 | ActLoopCT-in | TYR | APEdihe_iiiai | APEdist_aaai | APE10-dihe-in | -85.14, 67.65 | APE9-dihe-in | -109.05, 132.69 | APE8-dihe-in | -79.19, 76.3 | APE8-rot-na | 35.14 | APE67-dihe-in | -76.24, -3.1 | -57.7, -33.14 | APE12-dist-na | 10.1909 | APE11-dist-na | 12.4612 | APE10-dist-na | 9.1413 | APE9-dist-in | 6.5428 | None | PTR1034,PTR1035 | PTR1034,PTR1035 | XRAY | 1.83 | 0.225 | 0.255 | B | 290.0 | 286.0 | 4 | 31 | 31 | 0 | [[583, 847], [875, 1151]] | 2.0 | 6aah | 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 |
|---|