| 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 | 9D4WA | Q13153 | 252 | 544 | 545.0 | A1A2Q:601 | Type1 | Inactive | DFGin | 6.2927 | 14.4187 | BLAminus | -137.96, 179.63 | 63.76, 76.02 | -94.03, 19.4 | 285.04, 79.16 | -66.47, -23.4 | in-out | in | 9.6318 | Saltbr-out | 4.2561 | HRD-in | -74.55, -52.59 | 77.73, -4.03 | out-in-in | SNCoii | in-in | ActLoopNT-in | 2.8978 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -121.02, 139.13 | APE9-dihe-na | 146.8, -160.32 | APE8-dihe-in | -112.69, 127.38 | APE8-rot-in | 312.39 | APE67-dihe-in | -64.8, -22.82 | -49.61, -48.03 | APE12-dist-in | 8.8864 | APE11-dist-in | 11.8048 | APE10-dist-in | 6.0332 | APE9-dist-in | 3.6466 | D389N,T423E | None | None | XRAY | 2.218 | 0.183 | 0.232 | A | 297.0 | 293.0 | 0 | 28 | 28 | 0 | [[270, 521]] | 1.0 | 9d4w | 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 | 9D4WB | Q13153 | 257 | 545 | 545.0 | A1A2Q:601 | Type1 | Inactive | DFGin | 7.0786 | 14.217 | BLBplus | -160.39, -174.69 | 65.11, 52.23 | -131.3, 155.27 | 46.64, 110.39 | -110.39, 999.0 | out-none | out | 11.2325 | Saltbr-none | 999.0 | HRD-in | -70.39, -56.69 | 81.1, -16.91 | none-none-out | SNCnno | none-out | ActLoopNT-none | 999.0 | ActLoopCT-out | nonTYR | APEdihe_aaiio | APEdist_nnno | APE10-dihe-na | -88.9, -54.41 | APE9-dihe-na | -102.73, 164.75 | APE8-dihe-in | -84.58, 125.67 | APE8-rot-in | 293.16 | APE67-dihe-out | -69.4, -22.65 | -86.39, 72.55 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-none | 999.0 | APE9-dist-out | 13.5779 | D389N,T423E | None | None | XRAY | 2.218 | 0.183 | 0.232 | B | 297.0 | 283.0 | 6 | 28 | 22 | 6 | [[270, 521]] | 1.0 | 9d4w | 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 | 9D4WA | Q13153 | 252 | 544 | 545.0 | A1A2Q:601 | Type1 | Inactive | DFGin | 6.2927 | 14.4187 | BLAminus | -137.96, 179.63 | 63.76, 76.02 | -94.03, 19.4 | 285.04, 79.16 | -66.47, -23.4 | in-out | in | 9.6318 | Saltbr-out | 4.2561 | HRD-in | -74.55, -52.59 | 77.73, -4.03 | out-in-in | SNCoii | in-in | ActLoopNT-in | 2.8978 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -121.02, 139.13 | APE9-dihe-na | 146.8, -160.32 | APE8-dihe-in | -112.69, 127.38 | APE8-rot-in | 312.39 | APE67-dihe-in | -64.8, -22.82 | -49.61, -48.03 | APE12-dist-in | 8.8864 | APE11-dist-in | 11.8048 | APE10-dist-in | 6.0332 | APE9-dist-in | 3.6466 | D389N,T423E | None | None | XRAY | 2.218 | 0.183 | 0.232 | A | 297.0 | 293.0 | 0 | 28 | 28 | 0 | [[270, 521]] | 1.0 | 9d4w | 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 | 9D4WB | Q13153 | 257 | 545 | 545.0 | A1A2Q:601 | Type1 | Inactive | DFGin | 7.0786 | 14.217 | BLBplus | -160.39, -174.69 | 65.11, 52.23 | -131.3, 155.27 | 46.64, 110.39 | -110.39, 999.0 | out-none | out | 11.2325 | Saltbr-none | 999.0 | HRD-in | -70.39, -56.69 | 81.1, -16.91 | none-none-out | SNCnno | none-out | ActLoopNT-none | 999.0 | ActLoopCT-out | nonTYR | APEdihe_aaiio | APEdist_nnno | APE10-dihe-na | -88.9, -54.41 | APE9-dihe-na | -102.73, 164.75 | APE8-dihe-in | -84.58, 125.67 | APE8-rot-in | 293.16 | APE67-dihe-out | -69.4, -22.65 | -86.39, 72.55 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-none | 999.0 | APE9-dist-out | 13.5779 | D389N,T423E | None | None | XRAY | 2.218 | 0.183 | 0.232 | B | 297.0 | 283.0 | 6 | 28 | 22 | 6 | [[270, 521]] | 1.0 | 9d4w | 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 |
|---|