| 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 | 6RSHA | P23458 | 865 | 1154 | 1154.0 | KHE:1201 | Type1 | Inactive | DFGin | 6.6345 | 13.4865 | ABAminus | -113.16, 6.59 | -151.95, 137.99 | -130.33, 27.13 | 294.82, 88.08 | -65.9, -20.74 | in-in | in | 7.4405 | Saltbr-in | 2.5318 | HRD-in | -77.26, -48.19 | 64.78, 14.62 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.6944 | ActLoopCT-out | TYR | APEdihe_oiiai | APEdist_aaai | APE10-dihe-out | 87.06, 32.22 | APE9-dihe-in | -74.25, 135.13 | APE8-dihe-in | -77.78, 76.14 | APE8-rot-na | 33.2 | APE67-dihe-in | -80.47, -5.2 | -61.66, -26.89 | APE12-dist-na | 11.1674 | APE11-dist-na | 12.6391 | APE10-dist-na | 10.2352 | APE9-dist-in | 6.904 | None | PTR1034,PTR1035 | PTR1034,PTR1035 | XRAY | 1.71 | 0.271 | 0.311 | A | 302.0 | 286.0 | 4 | 31 | 31 | 0 | [[583, 847], [875, 1151]] | 2.0 | 6rsh | 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 | 6RSHB | P23458 | 865 | 1154 | 1154.0 | KHE:1201 | Type1 | Inactive | DFGin | 6.627 | 13.8518 | ABAminus | -116.98, -3.62 | -146.38, 138.52 | -131.28, 30.89 | 293.47, 79.95 | -64.48, -19.44 | in-in | in | 7.784 | Saltbr-in | 2.3752 | HRD-in | -81.26, -46.13 | 68.12, 10.14 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.878 | ActLoopCT-out | TYR | APEdihe_oiiai | APEdist_aaai | APE10-dihe-out | 90.62, 16.91 | APE9-dihe-in | -58.11, 134.31 | APE8-dihe-in | -78.21, 75.43 | APE8-rot-na | 34.5 | APE67-dihe-in | -75.52, -2.49 | -58.55, -33.71 | APE12-dist-na | 11.2189 | APE11-dist-na | 13.047 | APE10-dist-na | 10.4487 | APE9-dist-in | 6.9603 | None | PTR1034,PTR1035 | PTR1034,PTR1035 | XRAY | 1.71 | 0.271 | 0.311 | B | 302.0 | 281.0 | 9 | 31 | 31 | 0 | [[583, 847], [875, 1151]] | 2.0 | 6rsh | 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 | 6RSHA | P23458 | 865 | 1154 | 1154.0 | KHE:1201 | Type1 | Inactive | DFGin | 6.6345 | 13.4865 | ABAminus | -113.16, 6.59 | -151.95, 137.99 | -130.33, 27.13 | 294.82, 88.08 | -65.9, -20.74 | in-in | in | 7.4405 | Saltbr-in | 2.5318 | HRD-in | -77.26, -48.19 | 64.78, 14.62 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.6944 | ActLoopCT-out | TYR | APEdihe_oiiai | APEdist_aaai | APE10-dihe-out | 87.06, 32.22 | APE9-dihe-in | -74.25, 135.13 | APE8-dihe-in | -77.78, 76.14 | APE8-rot-na | 33.2 | APE67-dihe-in | -80.47, -5.2 | -61.66, -26.89 | APE12-dist-na | 11.1674 | APE11-dist-na | 12.6391 | APE10-dist-na | 10.2352 | APE9-dist-in | 6.904 | None | PTR1034,PTR1035 | PTR1034,PTR1035 | XRAY | 1.71 | 0.271 | 0.311 | A | 302.0 | 286.0 | 4 | 31 | 31 | 0 | [[583, 847], [875, 1151]] | 2.0 | 6rsh | 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 | 6RSHB | P23458 | 865 | 1154 | 1154.0 | KHE:1201 | Type1 | Inactive | DFGin | 6.627 | 13.8518 | ABAminus | -116.98, -3.62 | -146.38, 138.52 | -131.28, 30.89 | 293.47, 79.95 | -64.48, -19.44 | in-in | in | 7.784 | Saltbr-in | 2.3752 | HRD-in | -81.26, -46.13 | 68.12, 10.14 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.878 | ActLoopCT-out | TYR | APEdihe_oiiai | APEdist_aaai | APE10-dihe-out | 90.62, 16.91 | APE9-dihe-in | -58.11, 134.31 | APE8-dihe-in | -78.21, 75.43 | APE8-rot-na | 34.5 | APE67-dihe-in | -75.52, -2.49 | -58.55, -33.71 | APE12-dist-na | 11.2189 | APE11-dist-na | 13.047 | APE10-dist-na | 10.4487 | APE9-dist-in | 6.9603 | None | PTR1034,PTR1035 | PTR1034,PTR1035 | XRAY | 1.71 | 0.271 | 0.311 | B | 302.0 | 281.0 | 9 | 31 | 31 | 0 | [[583, 847], [875, 1151]] | 2.0 | 6rsh | 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 |
|---|