| 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 | PAK4 | PAK4_HUMAN | 2BVAA | O96013 | 300 | 587 | 591.0 | No_ligand | No_ligand | Inactive | DFGin | 7.438 | 16.475 | BLAminus | -117.27, -176.72 | 56.65, 71.44 | -91.27, 35.1 | 289.21, 80.8 | -69.61, -2.94 | out-out | out | 10.481 | Saltbr-out | 4.02 | HRD-in | -57.52, -60.13 | 72.86, 5.02 | out-out-in | SNCooi | out-in | ActLoopNT-out | 3.877 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -160.79, 153.17 | APE9-dihe-na | 127.58, -141.52 | APE8-dihe-in | -136.11, 111.21 | APE8-rot-in | 333.57 | APE67-dihe-in | -60.96, -14.16 | -40.33, -50.6 | APE12-dist-in | 8.848 | APE11-dist-in | 11.484 | APE10-dist-in | 5.83 | APE9-dist-in | 3.471 | None | SEP474 | SEP474 | XRAY | 2.3 | 0.192 | 0.269 | A | 292 | 273 | 15 | 0 | 0 | 2 | [[321, 572]] | 1.0 | 2bva | STE_PAK4_HUMAN | STE | 1.7e-88 | 302.2 | 5 | 257 | 253 | 457 | 458 | 459 | 461 | 463 | 350 | 366 | 370 | 437 | 439 | 438 | 440 | 497 | 485 | 480 | 479 | 478 | 477 | 476 | 475 | 474 | 396 | Serine/threonine-protein kinase PAK 4 |
| STE | PAK4 | PAK4_HUMAN | 2BVAB | O96013 | 301 | 587 | 591.0 | No_ligand | No_ligand | Inactive | DFGin | 7.572 | 17.238 | BLAminus | -131.91, -158.23 | 65.58, 44.26 | -84.57, 26.99 | 293.34, 56.33 | -60.85, -21.66 | out-out | out | 11.675 | Saltbr-out | 7.148 | HRD-in | -60.3, -59.82 | 75.14, 24.4 | out-in-in | SNCoii | in-in | ActLoopNT-in | 2.499 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -144.93, 163.72 | APE9-dihe-na | 104.79, -155.19 | APE8-dihe-in | -112.34, 124.37 | APE8-rot-in | 319.0 | APE67-dihe-in | -73.92, -14.55 | -41.39, -45.76 | APE12-dist-in | 8.588 | APE11-dist-in | 11.399 | APE10-dist-in | 5.909 | APE9-dist-in | 3.197 | None | SEP474 | SEP474 | XRAY | 2.3 | 0.192 | 0.269 | B | 292 | 275 | 12 | 0 | 0 | 2 | [[321, 572]] | 1.0 | 2bva | STE_PAK4_HUMAN | STE | 1.7e-88 | 302.2 | 5 | 257 | 253 | 457 | 458 | 459 | 461 | 463 | 350 | 366 | 370 | 437 | 439 | 438 | 440 | 497 | 485 | 480 | 479 | 478 | 477 | 476 | 475 | 474 | 396 | Serine/threonine-protein kinase PAK 4 |
| 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 | PAK4 | PAK4_HUMAN | 2BVAA | O96013 | 300 | 587 | 591.0 | No_ligand | No_ligand | Inactive | DFGin | 7.438 | 16.475 | BLAminus | -117.27, -176.72 | 56.65, 71.44 | -91.27, 35.1 | 289.21, 80.8 | -69.61, -2.94 | out-out | out | 10.481 | Saltbr-out | 4.02 | HRD-in | -57.52, -60.13 | 72.86, 5.02 | out-out-in | SNCooi | out-in | ActLoopNT-out | 3.877 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -160.79, 153.17 | APE9-dihe-na | 127.58, -141.52 | APE8-dihe-in | -136.11, 111.21 | APE8-rot-in | 333.57 | APE67-dihe-in | -60.96, -14.16 | -40.33, -50.6 | APE12-dist-in | 8.848 | APE11-dist-in | 11.484 | APE10-dist-in | 5.83 | APE9-dist-in | 3.471 | None | SEP474 | SEP474 | XRAY | 2.3 | 0.192 | 0.269 | A | 292 | 273 | 15 | 0 | 0 | 2 | [[321, 572]] | 1.0 | 2bva | Homo sapiens | STE_PAK4_HUMAN | STE | 1.7e-88 | 302.2 | 5 | 257 | 253 | 457 | 458 | 459 | 461 | 463 | 350 | 366 | 370 | 437 | 439 | 438 | 440 | 497 | 485 | 480 | 479 | 478 | 477 | 476 | 475 | 474 | 396 | Serine/threonine-protein kinase PAK 4 |
| STE | PAK4 | PAK4_HUMAN | 2BVAB | O96013 | 301 | 587 | 591.0 | No_ligand | No_ligand | Inactive | DFGin | 7.572 | 17.238 | BLAminus | -131.91, -158.23 | 65.58, 44.26 | -84.57, 26.99 | 293.34, 56.33 | -60.85, -21.66 | out-out | out | 11.675 | Saltbr-out | 7.148 | HRD-in | -60.3, -59.82 | 75.14, 24.4 | out-in-in | SNCoii | in-in | ActLoopNT-in | 2.499 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -144.93, 163.72 | APE9-dihe-na | 104.79, -155.19 | APE8-dihe-in | -112.34, 124.37 | APE8-rot-in | 319.0 | APE67-dihe-in | -73.92, -14.55 | -41.39, -45.76 | APE12-dist-in | 8.588 | APE11-dist-in | 11.399 | APE10-dist-in | 5.909 | APE9-dist-in | 3.197 | None | SEP474 | SEP474 | XRAY | 2.3 | 0.192 | 0.269 | B | 292 | 275 | 12 | 0 | 0 | 2 | [[321, 572]] | 1.0 | 2bva | Homo sapiens | STE_PAK4_HUMAN | STE | 1.7e-88 | 302.2 | 5 | 257 | 253 | 457 | 458 | 459 | 461 | 463 | 350 | 366 | 370 | 437 | 439 | 438 | 440 | 497 | 485 | 480 | 479 | 478 | 477 | 476 | 475 | 474 | 396 | Serine/threonine-protein kinase PAK 4 |
| 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 |
|---|