| 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 | 9D4XA | Q13153 | 252 | 542 | 545.0 | A1A2S:601 | Type1 | Active | DFGin | 5.9326 | 14.3818 | BLAminus | -134.57, -179.16 | 74.64, 95.79 | -107.3, 17.31 | 286.44, 85.58 | -60.25, -23.04 | in-in | in | 9.5759 | Saltbr-in | 2.9273 | HRD-in | -76.97, -51.43 | 77.35, -5.19 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.7746 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -120.86, 143.56 | APE9-dihe-na | 140.53, -160.65 | APE8-dihe-in | -113.91, 121.9 | APE8-rot-in | 310.98 | APE67-dihe-in | -60.48, -26.9 | -42.33, -51.34 | APE12-dist-in | 8.8988 | APE11-dist-in | 11.5895 | APE10-dist-in | 5.7944 | APE9-dist-in | 3.5704 | D389N,T423E | None | None | XRAY | 1.847 | 0.19 | 0.227 | A | 296.0 | 291.0 | 0 | 28 | 28 | 0 | [[270, 521]] | 1.0 | 9d4x | 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 | 9D4XB | Q13153 | 256 | 543 | 545.0 | A1A2S:601 | Type1 | Inactive | DFGin | 7.9396 | 14.2876 | BLBminus | -153.21, 172.32 | 72.65, 56.29 | -100.17, 126.88 | 352.14, 132.1 | 59.63, 999.0 | out-none | out | 11.0103 | Saltbr-none | 999.0 | HRD-in | -72.6, -51.85 | 76.96, -15.31 | none-none-out | SNCnno | none-out | ActLoopNT-none | 999.0 | ActLoopCT-out | nonTYR | APEdihe_aaiio | APEdist_nnno | APE10-dihe-na | -111.71, 114.66 | APE9-dihe-na | 94.46, 144.23 | APE8-dihe-in | -95.05, 128.42 | APE8-rot-in | 302.47 | APE67-dihe-out | -62.92, -19.11 | -85.26, 64.57 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-none | 999.0 | APE9-dist-out | 13.8408 | D389N,T423E | None | None | XRAY | 1.847 | 0.19 | 0.227 | B | 296.0 | 280.0 | 8 | 28 | 20 | 8 | [[270, 521]] | 1.0 | 9d4x | 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 | 9D4XA | Q13153 | 252 | 542 | 545.0 | A1A2S:601 | Type1 | Active | DFGin | 5.9326 | 14.3818 | BLAminus | -134.57, -179.16 | 74.64, 95.79 | -107.3, 17.31 | 286.44, 85.58 | -60.25, -23.04 | in-in | in | 9.5759 | Saltbr-in | 2.9273 | HRD-in | -76.97, -51.43 | 77.35, -5.19 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.7746 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -120.86, 143.56 | APE9-dihe-na | 140.53, -160.65 | APE8-dihe-in | -113.91, 121.9 | APE8-rot-in | 310.98 | APE67-dihe-in | -60.48, -26.9 | -42.33, -51.34 | APE12-dist-in | 8.8988 | APE11-dist-in | 11.5895 | APE10-dist-in | 5.7944 | APE9-dist-in | 3.5704 | D389N,T423E | None | None | XRAY | 1.847 | 0.19 | 0.227 | A | 296.0 | 291.0 | 0 | 28 | 28 | 0 | [[270, 521]] | 1.0 | 9d4x | 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 | 9D4XB | Q13153 | 256 | 543 | 545.0 | A1A2S:601 | Type1 | Inactive | DFGin | 7.9396 | 14.2876 | BLBminus | -153.21, 172.32 | 72.65, 56.29 | -100.17, 126.88 | 352.14, 132.1 | 59.63, 999.0 | out-none | out | 11.0103 | Saltbr-none | 999.0 | HRD-in | -72.6, -51.85 | 76.96, -15.31 | none-none-out | SNCnno | none-out | ActLoopNT-none | 999.0 | ActLoopCT-out | nonTYR | APEdihe_aaiio | APEdist_nnno | APE10-dihe-na | -111.71, 114.66 | APE9-dihe-na | 94.46, 144.23 | APE8-dihe-in | -95.05, 128.42 | APE8-rot-in | 302.47 | APE67-dihe-out | -62.92, -19.11 | -85.26, 64.57 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-none | 999.0 | APE9-dist-out | 13.8408 | D389N,T423E | None | None | XRAY | 1.847 | 0.19 | 0.227 | B | 296.0 | 280.0 | 8 | 28 | 20 | 8 | [[270, 521]] | 1.0 | 9d4x | 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 |
|---|