| 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 | 5DEWA | Q13153 | 250 | 544 | 545.0 | 59N:601 | Type1 | Inactive | DFGin | 6.8337 | 16.3316 | BLAminus | -126.7, -174.16 | 62.48, 84.65 | -103.83, 29.96 | 288.1, 67.4 | -74.85, -6.52 | out-out | out | 10.6953 | Saltbr-out | 5.7106 | HRD-in | -69.51, -47.92 | 66.05, 2.25 | out-in-in | SNCoii | in-in | ActLoopNT-in | 2.8441 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -124.92, 137.79 | APE9-dihe-na | 131.97, -163.67 | APE8-dihe-in | -114.9, 122.23 | APE8-rot-in | 306.26 | APE67-dihe-in | -61.48, -24.14 | -42.65, -52.9 | APE12-dist-in | 10.3193 | APE11-dist-in | 11.758 | APE10-dist-in | 5.9976 | APE9-dist-in | 3.4891 | D389N,T423E | None | None | XRAY | 1.9 | 0.177 | 0.215 | A | 297.0 | 295.0 | 0 | 28 | 28 | 0 | [[270, 521]] | 1.0 | 5dew | STE_PAK1_HUMAN | STE | 3.3e-94 | 321.0 | 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 | 5DEWB | Q13153 | 255 | 542 | 545.0 | 59N:601 | Type1 | Inactive | DFGin | 7.7509 | 15.3525 | BLBplus | -137.59, -178.21 | 69.87, 51.89 | -141.46, -178.04 | 59.66, 102.54 | -122.24, 139.25 | out-out | out | 11.6959 | Saltbr-out | 9.5354 | HRD-in | -72.22, -49.95 | 78.3, -16.49 | out-none-out | SNCono | none-out | ActLoopNT-none | 999.0 | ActLoopCT-out | nonTYR | APEdihe_aaiio | APEdist_oooo | APE10-dihe-na | -98.78, -66.17 | APE9-dihe-na | -88.1, 164.05 | APE8-dihe-in | -95.96, 119.25 | APE8-rot-in | 299.96 | APE67-dihe-out | -68.26, -19.44 | -81.66, 64.36 | APE12-dist-out | 29.0275 | APE11-dist-out | 26.2288 | APE10-dist-out | 25.094 | APE9-dist-out | 13.0653 | D389N,T423E | None | None | XRAY | 1.9 | 0.177 | 0.215 | B | 297.0 | 281.0 | 7 | 28 | 21 | 7 | [[270, 521]] | 1.0 | 5dew | STE_PAK1_HUMAN | STE | 3.3e-94 | 321.0 | 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 | 5DEWA | Q13153 | 250 | 544 | 545.0 | 59N:601 | Type1 | Inactive | DFGin | 6.8337 | 16.3316 | BLAminus | -126.7, -174.16 | 62.48, 84.65 | -103.83, 29.96 | 288.1, 67.4 | -74.85, -6.52 | out-out | out | 10.6953 | Saltbr-out | 5.7106 | HRD-in | -69.51, -47.92 | 66.05, 2.25 | out-in-in | SNCoii | in-in | ActLoopNT-in | 2.8441 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -124.92, 137.79 | APE9-dihe-na | 131.97, -163.67 | APE8-dihe-in | -114.9, 122.23 | APE8-rot-in | 306.26 | APE67-dihe-in | -61.48, -24.14 | -42.65, -52.9 | APE12-dist-in | 10.3193 | APE11-dist-in | 11.758 | APE10-dist-in | 5.9976 | APE9-dist-in | 3.4891 | D389N,T423E | None | None | XRAY | 1.9 | 0.177 | 0.215 | A | 297.0 | 295.0 | 0 | 28 | 28 | 0 | [[270, 521]] | 1.0 | 5dew | Homo sapiens | STE_PAK1_HUMAN | STE | 3.3e-94 | 321.0 | 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 | 5DEWB | Q13153 | 255 | 542 | 545.0 | 59N:601 | Type1 | Inactive | DFGin | 7.7509 | 15.3525 | BLBplus | -137.59, -178.21 | 69.87, 51.89 | -141.46, -178.04 | 59.66, 102.54 | -122.24, 139.25 | out-out | out | 11.6959 | Saltbr-out | 9.5354 | HRD-in | -72.22, -49.95 | 78.3, -16.49 | out-none-out | SNCono | none-out | ActLoopNT-none | 999.0 | ActLoopCT-out | nonTYR | APEdihe_aaiio | APEdist_oooo | APE10-dihe-na | -98.78, -66.17 | APE9-dihe-na | -88.1, 164.05 | APE8-dihe-in | -95.96, 119.25 | APE8-rot-in | 299.96 | APE67-dihe-out | -68.26, -19.44 | -81.66, 64.36 | APE12-dist-out | 29.0275 | APE11-dist-out | 26.2288 | APE10-dist-out | 25.094 | APE9-dist-out | 13.0653 | D389N,T423E | None | None | XRAY | 1.9 | 0.177 | 0.215 | B | 297.0 | 281.0 | 7 | 28 | 21 | 7 | [[270, 521]] | 1.0 | 5dew | Homo sapiens | STE_PAK1_HUMAN | STE | 3.3e-94 | 321.0 | 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 |
|---|