| 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 | 9D50A | Q13153 | 250 | 544 | 545.0 | A1A2T:601 | Type1 | Active | DFGin | 5.7332 | 14.7375 | BLAminus | -135.02, -174.3 | 73.6, 90.3 | -97.95, 19.58 | 290.57, 84.04 | -64.02, -18.57 | in-in | in | 9.8727 | Saltbr-in | 3.5529 | HRD-in | -72.63, -54.55 | 76.45, -4.03 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.8267 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -133.7, 145.81 | APE9-dihe-na | 142.12, -167.08 | APE8-dihe-in | -113.74, 119.8 | APE8-rot-in | 307.1 | APE67-dihe-in | -62.15, -25.86 | -42.33, -49.55 | APE12-dist-in | 8.8839 | APE11-dist-in | 11.7027 | APE10-dist-in | 5.8604 | APE9-dist-in | 3.5374 | D389N,T423E | None | None | XRAY | 1.898 | 0.186 | 0.23 | A | 296.0 | 295.0 | 0 | 28 | 28 | 0 | [[270, 521]] | 1.0 | 9d50 | 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 | 9D50B | Q13153 | 253 | 542 | 545.0 | A1A2T:601 | Type1 | Inactive | DFGinter | 7.2077 | 7.932 | None | -130.13, 169.98 | -108.02, 0.22 | -119.5, 17.11 | 301.73, 104.49 | -81.4, -34.77 | in-out | in | 9.9869 | Saltbr-out | 5.3521 | HRD-in | -71.88, -57.66 | 86.42, -21.48 | out-none-out | SNCono | none-out | ActLoopNT-none | 999.0 | ActLoopCT-out | nonTYR | APEdihe_aaiio | APEdist_oooo | APE10-dihe-na | -63.89, -52.65 | APE9-dihe-na | -113.94, 174.61 | APE8-dihe-in | -89.03, 125.57 | APE8-rot-in | 304.08 | APE67-dihe-out | -69.25, -19.69 | -82.71, 72.13 | APE12-dist-out | 20.154 | APE11-dist-out | 16.2642 | APE10-dist-out | 13.821 | APE9-dist-out | 13.7033 | D389N,T423E | None | None | XRAY | 1.898 | 0.186 | 0.23 | B | 296.0 | 275.0 | 15 | 28 | 20 | 8 | [[270, 521]] | 1.0 | 9d50 | 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 | 9D50A | Q13153 | 250 | 544 | 545.0 | A1A2T:601 | Type1 | Active | DFGin | 5.7332 | 14.7375 | BLAminus | -135.02, -174.3 | 73.6, 90.3 | -97.95, 19.58 | 290.57, 84.04 | -64.02, -18.57 | in-in | in | 9.8727 | Saltbr-in | 3.5529 | HRD-in | -72.63, -54.55 | 76.45, -4.03 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.8267 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -133.7, 145.81 | APE9-dihe-na | 142.12, -167.08 | APE8-dihe-in | -113.74, 119.8 | APE8-rot-in | 307.1 | APE67-dihe-in | -62.15, -25.86 | -42.33, -49.55 | APE12-dist-in | 8.8839 | APE11-dist-in | 11.7027 | APE10-dist-in | 5.8604 | APE9-dist-in | 3.5374 | D389N,T423E | None | None | XRAY | 1.898 | 0.186 | 0.23 | A | 296.0 | 295.0 | 0 | 28 | 28 | 0 | [[270, 521]] | 1.0 | 9d50 | 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 | 9D50B | Q13153 | 253 | 542 | 545.0 | A1A2T:601 | Type1 | Inactive | DFGinter | 7.2077 | 7.932 | None | -130.13, 169.98 | -108.02, 0.22 | -119.5, 17.11 | 301.73, 104.49 | -81.4, -34.77 | in-out | in | 9.9869 | Saltbr-out | 5.3521 | HRD-in | -71.88, -57.66 | 86.42, -21.48 | out-none-out | SNCono | none-out | ActLoopNT-none | 999.0 | ActLoopCT-out | nonTYR | APEdihe_aaiio | APEdist_oooo | APE10-dihe-na | -63.89, -52.65 | APE9-dihe-na | -113.94, 174.61 | APE8-dihe-in | -89.03, 125.57 | APE8-rot-in | 304.08 | APE67-dihe-out | -69.25, -19.69 | -82.71, 72.13 | APE12-dist-out | 20.154 | APE11-dist-out | 16.2642 | APE10-dist-out | 13.821 | APE9-dist-out | 13.7033 | D389N,T423E | None | None | XRAY | 1.898 | 0.186 | 0.23 | B | 296.0 | 275.0 | 15 | 28 | 20 | 8 | [[270, 521]] | 1.0 | 9d50 | 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 |
|---|