| 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 | 9N4UA | Q13153 | 249 | 545 | 545.0 | A1BV8:60601 | Type1.5_Back | Inactive | DFGin | 6.7973 | 16.6336 | BLAminus | -132.3, -163.8 | 51.83, 62.43 | -86.1, 16.43 | 283.09, 74.97 | -63.31, -22.24 | out-out | out | 10.718 | Saltbr-out | 5.301 | HRD-in | -71.65, -48.08 | 68.24, 0.25 | out-in-in | SNCoii | in-in | ActLoopNT-in | 2.8108 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -119.99, 134.76 | APE9-dihe-na | 139.96, -165.05 | APE8-dihe-in | -112.44, 124.86 | APE8-rot-in | 303.37 | APE67-dihe-in | -62.31, -25.25 | -45.29, -50.87 | APE12-dist-in | 10.316 | APE11-dist-in | 11.7987 | APE10-dist-in | 5.9663 | APE9-dist-in | 3.515 | None | None | None | XRAY | 1.77 | 0.175 | 0.203 | A | 537.0 | 297.0 | 0 | 28 | 28 | 0 | [[270, 521]] | 1.0 | 9n4u | STE_PAK1_HUMAN | STE | 1.9e-93 | 318.6 | 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 | 9N4UB | Q13153 | 255 | 542 | 545.0 | A1BV8:60601 | Type1 | Inactive | DFGin | 7.1437 | 15.1485 | BLAplus | -140.51, -179.41 | 61.35, 47.51 | -104.61, 43.01 | 23.15, 125.49 | -130.59, 999.0 | out-out | out | 12.0494 | Saltbr-out | 8.2598 | HRD-in | -71.36, -51.57 | 79.45, -11.85 | out-none-out | SNCono | none-out | ActLoopNT-none | 999.0 | ActLoopCT-out | nonTYR | APEdihe_aaiio | APEdist_nnno | APE10-dihe-na | -96.5, -43.08 | APE9-dihe-na | -100.25, 162.07 | APE8-dihe-in | -96.38, 120.34 | APE8-rot-in | 300.67 | APE67-dihe-out | -64.8, -18.65 | -82.44, 60.69 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-none | 999.0 | APE9-dist-out | 13.3866 | None | None | None | XRAY | 1.77 | 0.175 | 0.203 | B | 537.0 | 281.0 | 7 | 28 | 21 | 7 | [[270, 521]] | 1.0 | 9n4u | STE_PAK1_HUMAN | STE | 1.9e-93 | 318.6 | 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 | 9N4UA | Q13153 | 249 | 545 | 545.0 | A1BV8:60601 | Type1.5_Back | Inactive | DFGin | 6.7973 | 16.6336 | BLAminus | -132.3, -163.8 | 51.83, 62.43 | -86.1, 16.43 | 283.09, 74.97 | -63.31, -22.24 | out-out | out | 10.718 | Saltbr-out | 5.301 | HRD-in | -71.65, -48.08 | 68.24, 0.25 | out-in-in | SNCoii | in-in | ActLoopNT-in | 2.8108 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -119.99, 134.76 | APE9-dihe-na | 139.96, -165.05 | APE8-dihe-in | -112.44, 124.86 | APE8-rot-in | 303.37 | APE67-dihe-in | -62.31, -25.25 | -45.29, -50.87 | APE12-dist-in | 10.316 | APE11-dist-in | 11.7987 | APE10-dist-in | 5.9663 | APE9-dist-in | 3.515 | None | None | None | XRAY | 1.77 | 0.175 | 0.203 | A | 537.0 | 297.0 | 0 | 28 | 28 | 0 | [[270, 521]] | 1.0 | 9n4u | Homo sapiens | STE_PAK1_HUMAN | STE | 1.9e-93 | 318.6 | 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 | 9N4UB | Q13153 | 255 | 542 | 545.0 | A1BV8:60601 | Type1 | Inactive | DFGin | 7.1437 | 15.1485 | BLAplus | -140.51, -179.41 | 61.35, 47.51 | -104.61, 43.01 | 23.15, 125.49 | -130.59, 999.0 | out-out | out | 12.0494 | Saltbr-out | 8.2598 | HRD-in | -71.36, -51.57 | 79.45, -11.85 | out-none-out | SNCono | none-out | ActLoopNT-none | 999.0 | ActLoopCT-out | nonTYR | APEdihe_aaiio | APEdist_nnno | APE10-dihe-na | -96.5, -43.08 | APE9-dihe-na | -100.25, 162.07 | APE8-dihe-in | -96.38, 120.34 | APE8-rot-in | 300.67 | APE67-dihe-out | -64.8, -18.65 | -82.44, 60.69 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-none | 999.0 | APE9-dist-out | 13.3866 | None | None | None | XRAY | 1.77 | 0.175 | 0.203 | B | 537.0 | 281.0 | 7 | 28 | 21 | 7 | [[270, 521]] | 1.0 | 9n4u | Homo sapiens | STE_PAK1_HUMAN | STE | 1.9e-93 | 318.6 | 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 |
|---|