| 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 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| STE | PAK1 | PAK1_HUMAN | AF-Q13153-K1A | Q13153 | 262 | 529 | 545.0 | No_ligand | No_ligand | Active | DFGin | 6.1091 | 15.4356 | BLAminus | -135.46, -178.42 | 62.63, 69.09 | -80.63, 12.54 | 289.37, 79.64 | -59.4, -25.5 | in-in | in | 9.5082 | Saltbr-in | 2.9156 | HRD-in | -70.94, -47.91 | 69.03, -2.79 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.8487 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -129.47, 163.66 | APE9-dihe-na | 106.56, 165.96 | APE8-dihe-in | -80.92, 129.42 | APE8-rot-in | 304.27 | APE67-dihe-in | -69.1, -20.4 | -49.12, -44.8 | APE12-dist-in | 9.0037 | APE11-dist-in | 11.2727 | APE10-dist-in | 5.2538 | APE9-dist-in | 3.1543 | None | None | None | AF2 | -1.0 | 1.0 | 1.0 | A | 268.0 | 268.0 | 0 | 28 | 28 | 0 | [[270, 521]] | 1.0 | AF-Q13153-K1 | STE_PAK1_HUMAN | STE | 1.4e-95 | 325.5 | 1.0 | 257.0 | 257.0 | 406 | 407 | 408 | 410 | 412 | 299 | 315 | 319 | 386 | 388 | 387 | 389.0 | 446 | 434 | 429 | 428 | 427 | 426 | 425 | 424 | 423 | 345 | Serine/threonine-protein kinase PAK 1 |
| STE | PAK1 | PAK1_HUMAN | AF-Q13153-K3A | Q13153 | 262 | 529 | 545.0 | No_ligand | No_ligand | Active | DFGin | 5.6532 | 14.572 | BLAminus | -135.87, -177.98 | 58.42, 66.68 | -76.19, 11.5 | 293.99, 83.88 | -58.53, -24.71 | in-in | in | 9.2868 | Saltbr-in | 2.823 | HRD-in | -76.22, -49.45 | 69.28, 8.64 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.871 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -142.79, 145.93 | APE9-dihe-na | 124.81, 175.13 | APE8-dihe-in | -85.76, 122.79 | APE8-rot-in | 306.43 | APE67-dihe-in | -65.84, -25.41 | -42.72, -49.53 | APE12-dist-in | 9.2908 | APE11-dist-in | 11.5694 | APE10-dist-in | 5.6769 | APE9-dist-in | 3.1978 | None | None | None | AF2 | -1.0 | 1.0 | 1.0 | A | 268.0 | 268.0 | 0 | 28 | 28 | 0 | [[270, 521]] | 1.0 | AF-Q13153-K3 | STE_PAK1_HUMAN | STE | 1.4e-95 | 325.5 | 1.0 | 257.0 | 257.0 | 406 | 407 | 408 | 410 | 412 | 299 | 315 | 319 | 386 | 388 | 387 | 389.0 | 446 | 434 | 429 | 428 | 427 | 426 | 425 | 424 | 423 | 345 | Serine/threonine-protein kinase PAK 1 |
| 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 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| STE | PAK1 | PAK1_HUMAN | AF-Q13153-K1A | Q13153 | 262 | 529 | 545.0 | No_ligand | No_ligand | Active | DFGin | 6.1091 | 15.4356 | BLAminus | -135.46, -178.42 | 62.63, 69.09 | -80.63, 12.54 | 289.37, 79.64 | -59.4, -25.5 | in-in | in | 9.5082 | Saltbr-in | 2.9156 | HRD-in | -70.94, -47.91 | 69.03, -2.79 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.8487 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -129.47, 163.66 | APE9-dihe-na | 106.56, 165.96 | APE8-dihe-in | -80.92, 129.42 | APE8-rot-in | 304.27 | APE67-dihe-in | -69.1, -20.4 | -49.12, -44.8 | APE12-dist-in | 9.0037 | APE11-dist-in | 11.2727 | APE10-dist-in | 5.2538 | APE9-dist-in | 3.1543 | None | None | None | AF2 | -1.0 | 1.0 | 1.0 | A | 268.0 | 268.0 | 0 | 28 | 28 | 0 | [[270, 521]] | 1.0 | AF-Q13153-K1 | Homo sapiens | STE_PAK1_HUMAN | STE | 1.4e-95 | 325.5 | 1.0 | 257.0 | 257.0 | 406 | 407 | 408 | 410 | 412 | 299 | 315 | 319 | 386 | 388 | 387 | 389.0 | 446 | 434 | 429 | 428 | 427 | 426 | 425 | 424 | 423 | 345 | Serine/threonine-protein kinase PAK 1 |
| STE | PAK1 | PAK1_HUMAN | AF-Q13153-K3A | Q13153 | 262 | 529 | 545.0 | No_ligand | No_ligand | Active | DFGin | 5.6532 | 14.572 | BLAminus | -135.87, -177.98 | 58.42, 66.68 | -76.19, 11.5 | 293.99, 83.88 | -58.53, -24.71 | in-in | in | 9.2868 | Saltbr-in | 2.823 | HRD-in | -76.22, -49.45 | 69.28, 8.64 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.871 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -142.79, 145.93 | APE9-dihe-na | 124.81, 175.13 | APE8-dihe-in | -85.76, 122.79 | APE8-rot-in | 306.43 | APE67-dihe-in | -65.84, -25.41 | -42.72, -49.53 | APE12-dist-in | 9.2908 | APE11-dist-in | 11.5694 | APE10-dist-in | 5.6769 | APE9-dist-in | 3.1978 | None | None | None | AF2 | -1.0 | 1.0 | 1.0 | A | 268.0 | 268.0 | 0 | 28 | 28 | 0 | [[270, 521]] | 1.0 | AF-Q13153-K3 | Homo sapiens | STE_PAK1_HUMAN | STE | 1.4e-95 | 325.5 | 1.0 | 257.0 | 257.0 | 406 | 407 | 408 | 410 | 412 | 299 | 315 | 319 | 386 | 388 | 387 | 389.0 | 446 | 434 | 429 | 428 | 427 | 426 | 425 | 424 | 423 | 345 | Serine/threonine-protein kinase PAK 1 |
| 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 |
|---|