| 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 | 4EHZA | P23458 | 858 | 1154 | 1154.0 | JAK:1201 | Type1 | Inactive | DFGin | 6.2945 | 13.63 | ABAminus | -122.46, 12.74 | -158.91, 149.59 | -139.33, 23.83 | 295.89, 89.08 | -61.4, -20.25 | in-in | in | 7.7955 | Saltbr-in | 2.9362 | HRD-in | -79.41, -51.26 | 80.05, -0.3 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.8662 | ActLoopCT-out | TYR | APEdihe_oiiai | APEdist_aaai | APE10-dihe-out | -94.49, 24.25 | APE9-dihe-in | -61.79, 133.39 | APE8-dihe-in | -76.86, 73.91 | APE8-rot-na | 30.52 | APE67-dihe-in | -75.94, -6.94 | -60.76, -27.83 | APE12-dist-na | 11.4383 | APE11-dist-na | 13.1596 | APE10-dist-na | 9.8707 | APE9-dist-in | 7.0319 | None | PTR1034,PTR1035 | PTR1034,PTR1035 | XRAY | 2.174 | 0.174 | 0.229 | A | 302.0 | 292.0 | 5 | 31 | 31 | 0 | [[583, 847], [875, 1151]] | 2.0 | 4ehz | 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 | 4EHZB | P23458 | 865 | 1154 | 1154.0 | JAK:1201 | Type1 | Inactive | DFGin | 6.3175 | 13.7298 | ABAminus | -116.35, 3.51 | -150.61, 148.16 | -138.87, 32.34 | 292.95, 86.02 | -67.41, -23.21 | in-in | in | 7.8685 | Saltbr-in | 2.7634 | HRD-in | -83.57, -44.01 | 70.15, -1.08 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.7334 | ActLoopCT-out | TYR | APEdihe_oiiai | APEdist_aaai | APE10-dihe-out | -104.9, 29.19 | APE9-dihe-in | -67.89, 136.88 | APE8-dihe-in | -75.68, 68.81 | APE8-rot-na | 33.04 | APE67-dihe-in | -71.9, -6.58 | -49.99, -36.99 | APE12-dist-na | 11.4195 | APE11-dist-na | 13.393 | APE10-dist-na | 10.1247 | APE9-dist-in | 6.9909 | None | PTR1034,PTR1035 | PTR1034,PTR1035 | XRAY | 2.174 | 0.174 | 0.229 | B | 302.0 | 282.0 | 8 | 31 | 31 | 0 | [[583, 847], [875, 1151]] | 2.0 | 4ehz | 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 | 4EHZC | P23458 | 866 | 1154 | 1154.0 | JAK:1201 | Type1 | Inactive | DFGin | 6.3172 | 13.6208 | ABAminus | -118.15, 8.14 | -148.22, 154.09 | -141.74, 25.14 | 292.74, 84.54 | -60.05, -18.24 | in-in | in | 7.8585 | Saltbr-in | 2.8403 | HRD-in | -77.85, -48.09 | 78.3, 3.1 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.7238 | ActLoopCT-out | TYR | APEdihe_oiiai | APEdist_aaai | APE10-dihe-out | -117.81, 30.11 | APE9-dihe-in | -57.01, 145.43 | APE8-dihe-in | -85.32, 74.95 | APE8-rot-na | 31.15 | APE67-dihe-in | -74.27, -3.28 | -56.74, -31.49 | APE12-dist-na | 10.9751 | APE11-dist-na | 13.0044 | APE10-dist-na | 10.1803 | APE9-dist-in | 6.676 | None | PTR1034,PTR1035 | PTR1034,PTR1035 | XRAY | 2.174 | 0.174 | 0.229 | C | 302.0 | 280.0 | 9 | 31 | 31 | 0 | [[583, 847], [875, 1151]] | 2.0 | 4ehz | 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 | 4EHZD | P23458 | 865 | 1154 | 1154.0 | JAK:1201 | Type1 | Inactive | DFGin | 6.4285 | 13.533 | ABAminus | -123.86, 16.47 | -158.34, 146.22 | -137.38, 32.15 | 296.06, 77.8 | -67.83, -20.15 | in-in | in | 7.6786 | Saltbr-in | 2.9996 | HRD-in | -85.88, -43.73 | 70.18, 7.9 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.8 | ActLoopCT-out | TYR | APEdihe_oiiai | APEdist_aaai | APE10-dihe-out | -108.38, 26.48 | APE9-dihe-in | -59.77, 138.32 | APE8-dihe-in | -81.72, 74.58 | APE8-rot-na | 32.67 | APE67-dihe-in | -77.67, -4.82 | -52.47, -31.56 | APE12-dist-na | 11.0435 | APE11-dist-na | 12.9621 | APE10-dist-na | 10.0088 | APE9-dist-in | 6.6881 | None | PTR1034,PTR1035 | PTR1034,PTR1035 | XRAY | 2.174 | 0.174 | 0.229 | D | 302.0 | 282.0 | 8 | 31 | 31 | 0 | [[583, 847], [875, 1151]] | 2.0 | 4ehz | 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 | 4EHZA | P23458 | 858 | 1154 | 1154.0 | JAK:1201 | Type1 | Inactive | DFGin | 6.2945 | 13.63 | ABAminus | -122.46, 12.74 | -158.91, 149.59 | -139.33, 23.83 | 295.89, 89.08 | -61.4, -20.25 | in-in | in | 7.7955 | Saltbr-in | 2.9362 | HRD-in | -79.41, -51.26 | 80.05, -0.3 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.8662 | ActLoopCT-out | TYR | APEdihe_oiiai | APEdist_aaai | APE10-dihe-out | -94.49, 24.25 | APE9-dihe-in | -61.79, 133.39 | APE8-dihe-in | -76.86, 73.91 | APE8-rot-na | 30.52 | APE67-dihe-in | -75.94, -6.94 | -60.76, -27.83 | APE12-dist-na | 11.4383 | APE11-dist-na | 13.1596 | APE10-dist-na | 9.8707 | APE9-dist-in | 7.0319 | None | PTR1034,PTR1035 | PTR1034,PTR1035 | XRAY | 2.174 | 0.174 | 0.229 | A | 302.0 | 292.0 | 5 | 31 | 31 | 0 | [[583, 847], [875, 1151]] | 2.0 | 4ehz | 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 | 4EHZB | P23458 | 865 | 1154 | 1154.0 | JAK:1201 | Type1 | Inactive | DFGin | 6.3175 | 13.7298 | ABAminus | -116.35, 3.51 | -150.61, 148.16 | -138.87, 32.34 | 292.95, 86.02 | -67.41, -23.21 | in-in | in | 7.8685 | Saltbr-in | 2.7634 | HRD-in | -83.57, -44.01 | 70.15, -1.08 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.7334 | ActLoopCT-out | TYR | APEdihe_oiiai | APEdist_aaai | APE10-dihe-out | -104.9, 29.19 | APE9-dihe-in | -67.89, 136.88 | APE8-dihe-in | -75.68, 68.81 | APE8-rot-na | 33.04 | APE67-dihe-in | -71.9, -6.58 | -49.99, -36.99 | APE12-dist-na | 11.4195 | APE11-dist-na | 13.393 | APE10-dist-na | 10.1247 | APE9-dist-in | 6.9909 | None | PTR1034,PTR1035 | PTR1034,PTR1035 | XRAY | 2.174 | 0.174 | 0.229 | B | 302.0 | 282.0 | 8 | 31 | 31 | 0 | [[583, 847], [875, 1151]] | 2.0 | 4ehz | 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 | 4EHZC | P23458 | 866 | 1154 | 1154.0 | JAK:1201 | Type1 | Inactive | DFGin | 6.3172 | 13.6208 | ABAminus | -118.15, 8.14 | -148.22, 154.09 | -141.74, 25.14 | 292.74, 84.54 | -60.05, -18.24 | in-in | in | 7.8585 | Saltbr-in | 2.8403 | HRD-in | -77.85, -48.09 | 78.3, 3.1 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.7238 | ActLoopCT-out | TYR | APEdihe_oiiai | APEdist_aaai | APE10-dihe-out | -117.81, 30.11 | APE9-dihe-in | -57.01, 145.43 | APE8-dihe-in | -85.32, 74.95 | APE8-rot-na | 31.15 | APE67-dihe-in | -74.27, -3.28 | -56.74, -31.49 | APE12-dist-na | 10.9751 | APE11-dist-na | 13.0044 | APE10-dist-na | 10.1803 | APE9-dist-in | 6.676 | None | PTR1034,PTR1035 | PTR1034,PTR1035 | XRAY | 2.174 | 0.174 | 0.229 | C | 302.0 | 280.0 | 9 | 31 | 31 | 0 | [[583, 847], [875, 1151]] | 2.0 | 4ehz | 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 | 4EHZD | P23458 | 865 | 1154 | 1154.0 | JAK:1201 | Type1 | Inactive | DFGin | 6.4285 | 13.533 | ABAminus | -123.86, 16.47 | -158.34, 146.22 | -137.38, 32.15 | 296.06, 77.8 | -67.83, -20.15 | in-in | in | 7.6786 | Saltbr-in | 2.9996 | HRD-in | -85.88, -43.73 | 70.18, 7.9 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.8 | ActLoopCT-out | TYR | APEdihe_oiiai | APEdist_aaai | APE10-dihe-out | -108.38, 26.48 | APE9-dihe-in | -59.77, 138.32 | APE8-dihe-in | -81.72, 74.58 | APE8-rot-na | 32.67 | APE67-dihe-in | -77.67, -4.82 | -52.47, -31.56 | APE12-dist-na | 11.0435 | APE11-dist-na | 12.9621 | APE10-dist-na | 10.0088 | APE9-dist-in | 6.6881 | None | PTR1034,PTR1035 | PTR1034,PTR1035 | XRAY | 2.174 | 0.174 | 0.229 | D | 302.0 | 282.0 | 8 | 31 | 31 | 0 | [[583, 847], [875, 1151]] | 2.0 | 4ehz | 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 |
|---|