| 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 | 4O0RB | Q13153 | 249 | 542 | 545.0 | No_ligand | No_ligand | Inactive | DFGin | 8.4589 | 14.3892 | BLAminus | -142.2, 148.83 | 68.85, 100.38 | -113.32, -26.08 | 305.68, 70.93 | -85.91, 999.0 | out-out | out | 10.9274 | Saltbr-out | 5.734 | HRD-in | -67.84, -49.08 | 73.0, -13.53 | out-none-out | SNCono | none-out | ActLoopNT-none | 999.0 | ActLoopCT-out | nonTYR | APEdihe_aaiio | APEdist_nnno | APE10-dihe-na | -94.67, -61.34 | APE9-dihe-na | -86.43, 162.84 | APE8-dihe-in | -100.38, 120.63 | APE8-rot-in | 302.78 | APE67-dihe-out | -57.79, -31.79 | -82.05, 60.84 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-none | 999.0 | APE9-dist-out | 13.0839 | None | None | None | XRAY | 2.4 | 0.208 | 0.242 | B | 300.0 | 282.0 | 12 | 28 | 20 | 8 | [[270, 521]] | 1.0 | 4o0r | STE_PAK1_HUMAN | STE | 3.4e-94 | 320.9 | 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 | 4O0RA | Q13153 | 249 | 541 | 545.0 | 7KC:601 | Type1 | Inactive | DFGin | 5.7069 | 15.4513 | BLAminus | -136.26, -173.63 | 66.36, 84.44 | -105.38, 22.75 | 287.98, 73.0 | -66.77, -24.67 | out-out | out | 10.5364 | Saltbr-out | 3.8428 | HRD-in | -68.62, -53.92 | 75.41, -4.06 | out-in-in | SNCoii | in-in | ActLoopNT-in | 2.9891 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -115.02, 160.09 | APE9-dihe-na | 121.29, -167.42 | APE8-dihe-in | -109.32, 127.14 | APE8-rot-in | 311.22 | APE67-dihe-in | -60.58, -24.43 | -38.72, -62.41 | APE12-dist-in | 9.2003 | APE11-dist-in | 11.8695 | APE10-dist-in | 5.9012 | APE9-dist-in | 3.3608 | None | None | None | XRAY | 2.4 | 0.208 | 0.242 | A | 300.0 | 293.0 | 0 | 28 | 28 | 0 | [[270, 521]] | 1.0 | 4o0r | STE_PAK1_HUMAN | STE | 3.4e-94 | 320.9 | 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 | 4O0RB | Q13153 | 249 | 542 | 545.0 | No_ligand | No_ligand | Inactive | DFGin | 8.4589 | 14.3892 | BLAminus | -142.2, 148.83 | 68.85, 100.38 | -113.32, -26.08 | 305.68, 70.93 | -85.91, 999.0 | out-out | out | 10.9274 | Saltbr-out | 5.734 | HRD-in | -67.84, -49.08 | 73.0, -13.53 | out-none-out | SNCono | none-out | ActLoopNT-none | 999.0 | ActLoopCT-out | nonTYR | APEdihe_aaiio | APEdist_nnno | APE10-dihe-na | -94.67, -61.34 | APE9-dihe-na | -86.43, 162.84 | APE8-dihe-in | -100.38, 120.63 | APE8-rot-in | 302.78 | APE67-dihe-out | -57.79, -31.79 | -82.05, 60.84 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-none | 999.0 | APE9-dist-out | 13.0839 | None | None | None | XRAY | 2.4 | 0.208 | 0.242 | B | 300.0 | 282.0 | 12 | 28 | 20 | 8 | [[270, 521]] | 1.0 | 4o0r | Homo sapiens | STE_PAK1_HUMAN | STE | 3.4e-94 | 320.9 | 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 | 4O0RA | Q13153 | 249 | 541 | 545.0 | 7KC:601 | Type1 | Inactive | DFGin | 5.7069 | 15.4513 | BLAminus | -136.26, -173.63 | 66.36, 84.44 | -105.38, 22.75 | 287.98, 73.0 | -66.77, -24.67 | out-out | out | 10.5364 | Saltbr-out | 3.8428 | HRD-in | -68.62, -53.92 | 75.41, -4.06 | out-in-in | SNCoii | in-in | ActLoopNT-in | 2.9891 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -115.02, 160.09 | APE9-dihe-na | 121.29, -167.42 | APE8-dihe-in | -109.32, 127.14 | APE8-rot-in | 311.22 | APE67-dihe-in | -60.58, -24.43 | -38.72, -62.41 | APE12-dist-in | 9.2003 | APE11-dist-in | 11.8695 | APE10-dist-in | 5.9012 | APE9-dist-in | 3.3608 | None | None | None | XRAY | 2.4 | 0.208 | 0.242 | A | 300.0 | 293.0 | 0 | 28 | 28 | 0 | [[270, 521]] | 1.0 | 4o0r | Homo sapiens | STE_PAK1_HUMAN | STE | 3.4e-94 | 320.9 | 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 |
|---|