| 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 | AKT1 | AKT1_HUMAN | 6NPZA | P31749 | 142 | 478 | 480.0 | No_ligand | No_ligand | Active | DFGin | 6.2434 | 13.5168 | BLAminus | -119.48, 178.99 | 63.44, 89.04 | -107.85, 9.08 | 296.64, 94.01 | -63.0, -21.88 | in-in | in | 8.9042 | Saltbr-in | 3.0045 | HRD-in | -76.14, -48.91 | 69.19, -6.3 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.9946 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -163.99, 160.01 | APE9-dihe-na | 134.89, -153.13 | APE8-dihe-in | -119.22, 128.69 | APE8-rot-in | 299.44 | APE67-dihe-in | -61.81, -21.05 | -49.68, -44.36 | APE12-dist-in | 8.2833 | APE11-dist-in | 11.5575 | APE10-dist-in | 5.9575 | APE9-dist-in | 3.903 | None | TPO308,SEP473,SEP477 | TPO308,SEP473,SEP477 | XRAY | 2.12 | 0.188 | 0.241 | A | 358.0 | 322.0 | 0 | 28 | 28 | 0 | [[150, 408]] | 1.0 | 6npz | AGC_AKT1_HUMAN | AGC | 2.7e-99 | 337.5 | 1.0 | 260.0 | 260.0 | 291 | 292 | 293 | 295 | 297 | 179 | 198 | 202 | 271 | 273 | 272 | 274.0 | 331 | 319 | 314 | 313 | 312 | 311 | 310 | 309 | 308 | 228 | RAC-alpha serine/threonine-protein kinase |
| AGC | AKT1 | AKT1_HUMAN | 6NPZB | P31749 | 141 | 477 | 480.0 | No_ligand | No_ligand | Active | DFGin | 6.4917 | 13.7105 | BLAminus | -117.03, 171.77 | 71.96, 91.9 | -107.91, 11.41 | 295.22, 94.23 | -65.12, -23.31 | in-in | in | 8.8064 | Saltbr-in | 3.0893 | HRD-in | -77.35, -47.58 | 69.03, -7.27 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.868 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -160.06, 158.85 | APE9-dihe-na | 134.94, -150.01 | APE8-dihe-in | -122.61, 125.21 | APE8-rot-in | 296.0 | APE67-dihe-in | -68.07, -17.45 | -48.75, -43.62 | APE12-dist-in | 8.4844 | APE11-dist-in | 11.6913 | APE10-dist-in | 6.0438 | APE9-dist-in | 3.8563 | None | TPO308,SEP473,SEP477 | TPO308,SEP473,SEP477 | XRAY | 2.12 | 0.188 | 0.241 | B | 358.0 | 323.0 | 0 | 28 | 28 | 0 | [[150, 408]] | 1.0 | 6npz | AGC_AKT1_HUMAN | AGC | 2.7e-99 | 337.5 | 1.0 | 260.0 | 260.0 | 291 | 292 | 293 | 295 | 297 | 179 | 198 | 202 | 271 | 273 | 272 | 274.0 | 331 | 319 | 314 | 313 | 312 | 311 | 310 | 309 | 308 | 228 | RAC-alpha serine/threonine-protein kinase |
| 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 | AKT1 | AKT1_HUMAN | 6NPZA | P31749 | 142 | 478 | 480.0 | No_ligand | No_ligand | Active | DFGin | 6.2434 | 13.5168 | BLAminus | -119.48, 178.99 | 63.44, 89.04 | -107.85, 9.08 | 296.64, 94.01 | -63.0, -21.88 | in-in | in | 8.9042 | Saltbr-in | 3.0045 | HRD-in | -76.14, -48.91 | 69.19, -6.3 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.9946 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -163.99, 160.01 | APE9-dihe-na | 134.89, -153.13 | APE8-dihe-in | -119.22, 128.69 | APE8-rot-in | 299.44 | APE67-dihe-in | -61.81, -21.05 | -49.68, -44.36 | APE12-dist-in | 8.2833 | APE11-dist-in | 11.5575 | APE10-dist-in | 5.9575 | APE9-dist-in | 3.903 | None | TPO308,SEP473,SEP477 | TPO308,SEP473,SEP477 | XRAY | 2.12 | 0.188 | 0.241 | A | 358.0 | 322.0 | 0 | 28 | 28 | 0 | [[150, 408]] | 1.0 | 6npz | Homo sapiens | AGC_AKT1_HUMAN | AGC | 2.7e-99 | 337.5 | 1.0 | 260.0 | 260.0 | 291 | 292 | 293 | 295 | 297 | 179 | 198 | 202 | 271 | 273 | 272 | 274.0 | 331 | 319 | 314 | 313 | 312 | 311 | 310 | 309 | 308 | 228 | RAC-alpha serine/threonine-protein kinase |
| AGC | AKT1 | AKT1_HUMAN | 6NPZB | P31749 | 141 | 477 | 480.0 | No_ligand | No_ligand | Active | DFGin | 6.4917 | 13.7105 | BLAminus | -117.03, 171.77 | 71.96, 91.9 | -107.91, 11.41 | 295.22, 94.23 | -65.12, -23.31 | in-in | in | 8.8064 | Saltbr-in | 3.0893 | HRD-in | -77.35, -47.58 | 69.03, -7.27 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.868 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -160.06, 158.85 | APE9-dihe-na | 134.94, -150.01 | APE8-dihe-in | -122.61, 125.21 | APE8-rot-in | 296.0 | APE67-dihe-in | -68.07, -17.45 | -48.75, -43.62 | APE12-dist-in | 8.4844 | APE11-dist-in | 11.6913 | APE10-dist-in | 6.0438 | APE9-dist-in | 3.8563 | None | TPO308,SEP473,SEP477 | TPO308,SEP473,SEP477 | XRAY | 2.12 | 0.188 | 0.241 | B | 358.0 | 323.0 | 0 | 28 | 28 | 0 | [[150, 408]] | 1.0 | 6npz | Homo sapiens | AGC_AKT1_HUMAN | AGC | 2.7e-99 | 337.5 | 1.0 | 260.0 | 260.0 | 291 | 292 | 293 | 295 | 297 | 179 | 198 | 202 | 271 | 273 | 272 | 274.0 | 331 | 319 | 314 | 313 | 312 | 311 | 310 | 309 | 308 | 228 | RAC-alpha serine/threonine-protein kinase |
| 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 |
|---|