| 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 | 6BUUA | P31749 | 144 | 478 | 480.0 | No_ligand | No_ligand | Active | DFGin | 6.4595 | 13.5609 | BLAminus | -129.81, 166.71 | 63.43, 103.36 | -112.37, 8.26 | 300.4, 87.1 | -62.82, -21.63 | in-in | in | 8.5651 | Saltbr-in | 3.3205 | HRD-in | -78.21, -43.42 | 65.34, -10.93 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.7848 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -162.8, 159.61 | APE9-dihe-na | 139.87, -147.27 | APE8-dihe-in | -120.07, 129.86 | APE8-rot-in | 299.9 | APE67-dihe-in | -65.46, -21.29 | -53.54, -42.3 | APE12-dist-in | 8.7204 | APE11-dist-in | 11.7316 | APE10-dist-in | 6.2384 | APE9-dist-in | 4.0846 | None | TPO308,SEP473,SEP477 | TPO308,SEP473,SEP477 | XRAY | 2.4 | 0.185 | 0.23 | A | 337.0 | 323.0 | 0 | 28 | 28 | 0 | [[150, 408]] | 1.0 | 6buu | AGC_AKT1_HUMAN | AGC | 2.2e-99 | 337.8 | 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 | 6BUUB | P31749 | 144 | 477 | 480.0 | No_ligand | No_ligand | Active | DFGin | 6.4216 | 13.4748 | BLAminus | -128.87, 158.63 | 82.78, 97.45 | -111.26, 12.46 | 302.86, 92.31 | -62.01, -29.27 | in-in | in | 8.6218 | Saltbr-in | 2.6118 | HRD-in | -74.01, -46.33 | 68.16, -15.49 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.9455 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -158.84, 167.54 | APE9-dihe-na | 132.85, -158.22 | APE8-dihe-in | -118.97, 130.29 | APE8-rot-in | 299.43 | APE67-dihe-in | -70.47, -18.64 | -52.17, -43.37 | APE12-dist-in | 8.7996 | APE11-dist-in | 11.7592 | APE10-dist-in | 6.0782 | APE9-dist-in | 3.9353 | None | TPO308,SEP473,SEP477 | TPO308,SEP473,SEP477 | XRAY | 2.4 | 0.185 | 0.23 | B | 337.0 | 319.0 | 0 | 28 | 28 | 0 | [[150, 408]] | 1.0 | 6buu | AGC_AKT1_HUMAN | AGC | 2.2e-99 | 337.8 | 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 | 6BUUA | P31749 | 144 | 478 | 480.0 | No_ligand | No_ligand | Active | DFGin | 6.4595 | 13.5609 | BLAminus | -129.81, 166.71 | 63.43, 103.36 | -112.37, 8.26 | 300.4, 87.1 | -62.82, -21.63 | in-in | in | 8.5651 | Saltbr-in | 3.3205 | HRD-in | -78.21, -43.42 | 65.34, -10.93 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.7848 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -162.8, 159.61 | APE9-dihe-na | 139.87, -147.27 | APE8-dihe-in | -120.07, 129.86 | APE8-rot-in | 299.9 | APE67-dihe-in | -65.46, -21.29 | -53.54, -42.3 | APE12-dist-in | 8.7204 | APE11-dist-in | 11.7316 | APE10-dist-in | 6.2384 | APE9-dist-in | 4.0846 | None | TPO308,SEP473,SEP477 | TPO308,SEP473,SEP477 | XRAY | 2.4 | 0.185 | 0.23 | A | 337.0 | 323.0 | 0 | 28 | 28 | 0 | [[150, 408]] | 1.0 | 6buu | Homo sapiens | AGC_AKT1_HUMAN | AGC | 2.2e-99 | 337.8 | 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 | 6BUUB | P31749 | 144 | 477 | 480.0 | No_ligand | No_ligand | Active | DFGin | 6.4216 | 13.4748 | BLAminus | -128.87, 158.63 | 82.78, 97.45 | -111.26, 12.46 | 302.86, 92.31 | -62.01, -29.27 | in-in | in | 8.6218 | Saltbr-in | 2.6118 | HRD-in | -74.01, -46.33 | 68.16, -15.49 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.9455 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -158.84, 167.54 | APE9-dihe-na | 132.85, -158.22 | APE8-dihe-in | -118.97, 130.29 | APE8-rot-in | 299.43 | APE67-dihe-in | -70.47, -18.64 | -52.17, -43.37 | APE12-dist-in | 8.7996 | APE11-dist-in | 11.7592 | APE10-dist-in | 6.0782 | APE9-dist-in | 3.9353 | None | TPO308,SEP473,SEP477 | TPO308,SEP473,SEP477 | XRAY | 2.4 | 0.185 | 0.23 | B | 337.0 | 319.0 | 0 | 28 | 28 | 0 | [[150, 408]] | 1.0 | 6buu | Homo sapiens | AGC_AKT1_HUMAN | AGC | 2.2e-99 | 337.8 | 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 |
|---|