| 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 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| AGC | PKN1 | PKN1_HUMAN | AF-Q16512-K1A | Q16512 | 607 | 882 | 942.0 | No_ligand | No_ligand | Active | DFGin | 6.125 | 12.8034 | BLAminus | -104.04, -164.64 | 32.68, 89.18 | -91.79, 14.64 | 301.92, 91.88 | -63.04, -27.24 | in-in | in | 9.0668 | Saltbr-in | 2.6714 | HRD-in | -84.1, -49.81 | 66.41, 1.28 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.8908 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -160.08, 154.4 | APE9-dihe-na | 137.89, 173.8 | APE8-dihe-in | -75.84, 131.35 | APE8-rot-in | 298.99 | APE67-dihe-in | -68.2, -19.42 | -47.26, -48.97 | APE12-dist-in | 8.4844 | APE11-dist-in | 11.5084 | APE10-dist-in | 5.8485 | APE9-dist-in | 3.5612 | None | None | None | AF2 | -1.0 | 1.0 | 1.0 | A | 276.0 | 276.0 | 0 | 28 | 28 | 0 | [[615, 874]] | 1.0 | AF-Q16512-K1 | AGC_PKN1_HUMAN | AGC | 9e-91 | 309.4 | 1.0 | 260.0 | 260.0 | 757 | 758 | 759 | 761 | 763 | 644 | 663 | 667 | 737 | 739 | 738 | 740.0 | 797 | 785 | 780 | 779 | 778 | 777 | 776 | 775 | 774 | 696 | Serine/threonine-protein kinase N1 |
| AGC | PKN1 | PKN1_HUMAN | AF-Q16512-K3A | Q16512 | 607 | 882 | 942.0 | No_ligand | No_ligand | Active | DFGin | 5.8695 | 13.0226 | BLAminus | -110.25, -171.62 | 42.06, 78.21 | -81.03, 13.32 | 306.32, 97.97 | -64.16, -27.17 | in-in | in | 8.964 | Saltbr-in | 2.6998 | HRD-in | -80.36, -49.64 | 68.98, 3.43 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.8514 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -163.89, 155.38 | APE9-dihe-na | 131.55, -178.6 | APE8-dihe-in | -90.87, 131.72 | APE8-rot-in | 298.43 | APE67-dihe-in | -65.82, -21.14 | -44.47, -52.21 | APE12-dist-in | 8.5748 | APE11-dist-in | 11.4832 | APE10-dist-in | 5.8406 | APE9-dist-in | 3.3687 | None | None | None | AF2 | -1.0 | 1.0 | 1.0 | A | 276.0 | 276.0 | 0 | 28 | 28 | 0 | [[615, 874]] | 1.0 | AF-Q16512-K3 | AGC_PKN1_HUMAN | AGC | 9e-91 | 309.4 | 1.0 | 260.0 | 260.0 | 757 | 758 | 759 | 761 | 763 | 644 | 663 | 667 | 737 | 739 | 738 | 740.0 | 797 | 785 | 780 | 779 | 778 | 777 | 776 | 775 | 774 | 696 | Serine/threonine-protein kinase N1 |
| 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 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| AGC | PKN1 | PKN1_HUMAN | AF-Q16512-K1A | Q16512 | 607 | 882 | 942.0 | No_ligand | No_ligand | Active | DFGin | 6.125 | 12.8034 | BLAminus | -104.04, -164.64 | 32.68, 89.18 | -91.79, 14.64 | 301.92, 91.88 | -63.04, -27.24 | in-in | in | 9.0668 | Saltbr-in | 2.6714 | HRD-in | -84.1, -49.81 | 66.41, 1.28 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.8908 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -160.08, 154.4 | APE9-dihe-na | 137.89, 173.8 | APE8-dihe-in | -75.84, 131.35 | APE8-rot-in | 298.99 | APE67-dihe-in | -68.2, -19.42 | -47.26, -48.97 | APE12-dist-in | 8.4844 | APE11-dist-in | 11.5084 | APE10-dist-in | 5.8485 | APE9-dist-in | 3.5612 | None | None | None | AF2 | -1.0 | 1.0 | 1.0 | A | 276.0 | 276.0 | 0 | 28 | 28 | 0 | [[615, 874]] | 1.0 | AF-Q16512-K1 | Homo sapiens | AGC_PKN1_HUMAN | AGC | 9e-91 | 309.4 | 1.0 | 260.0 | 260.0 | 757 | 758 | 759 | 761 | 763 | 644 | 663 | 667 | 737 | 739 | 738 | 740.0 | 797 | 785 | 780 | 779 | 778 | 777 | 776 | 775 | 774 | 696 | Serine/threonine-protein kinase N1 |
| AGC | PKN1 | PKN1_HUMAN | AF-Q16512-K3A | Q16512 | 607 | 882 | 942.0 | No_ligand | No_ligand | Active | DFGin | 5.8695 | 13.0226 | BLAminus | -110.25, -171.62 | 42.06, 78.21 | -81.03, 13.32 | 306.32, 97.97 | -64.16, -27.17 | in-in | in | 8.964 | Saltbr-in | 2.6998 | HRD-in | -80.36, -49.64 | 68.98, 3.43 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.8514 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -163.89, 155.38 | APE9-dihe-na | 131.55, -178.6 | APE8-dihe-in | -90.87, 131.72 | APE8-rot-in | 298.43 | APE67-dihe-in | -65.82, -21.14 | -44.47, -52.21 | APE12-dist-in | 8.5748 | APE11-dist-in | 11.4832 | APE10-dist-in | 5.8406 | APE9-dist-in | 3.3687 | None | None | None | AF2 | -1.0 | 1.0 | 1.0 | A | 276.0 | 276.0 | 0 | 28 | 28 | 0 | [[615, 874]] | 1.0 | AF-Q16512-K3 | Homo sapiens | AGC_PKN1_HUMAN | AGC | 9e-91 | 309.4 | 1.0 | 260.0 | 260.0 | 757 | 758 | 759 | 761 | 763 | 644 | 663 | 667 | 737 | 739 | 738 | 740.0 | 797 | 785 | 780 | 779 | 778 | 777 | 776 | 775 | 774 | 696 | Serine/threonine-protein kinase N1 |
| 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 |
|---|