| 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 | 5KBRA | Q13153 | 255 | 542 | 545.0 | IPW:601 | Type1 | Inactive | DFGin | 5.8451 | 15.2779 | BLAminus | -141.56, -170.23 | 54.38, 91.67 | -104.24, 18.58 | 293.46, 82.67 | -60.59, -23.31 | in-out | in | 9.9862 | Saltbr-out | 5.1442 | HRD-in | -67.2, -55.46 | 77.45, -3.44 | out-in-in | SNCoii | in-in | ActLoopNT-in | 3.0089 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -129.48, 150.95 | APE9-dihe-na | 138.19, -160.73 | APE8-dihe-in | -111.57, 122.93 | APE8-rot-in | 303.63 | APE67-dihe-in | -61.71, -20.1 | -36.06, -55.95 | APE12-dist-in | 9.4666 | APE11-dist-in | 11.7243 | APE10-dist-in | 5.7593 | APE9-dist-in | 3.3903 | D389N,T423E,E503D | None | None | XRAY | 2.36 | 0.198 | 0.255 | A | 289.0 | 259.0 | 29 | 28 | 21 | 7 | [[270, 521]] | 1.0 | 5kbr | STE_PAK1_HUMAN | STE | 6.1e-94 | 320.1 | 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 | 5KBRB | Q13153 | 255 | 542 | 545.0 | IPW:601 | Type1 | Inactive | None | 999.0 | 999.0 | None | -138.44, 162.05 | 51.69, 999.0 | 999.0, 999.0 | 999.0, 999.0 | 999.0, 999.0 | out-out | out | 10.9284 | Saltbr-out | 9.3862 | HRD-in | -61.91, -54.34 | 77.67, -17.26 | out-none-out | SNCono | none-out | ActLoopNT-none | 999.0 | ActLoopCT-out | nonTYR | APEdihe_aaioo | APEdist_nnno | APE10-dihe-na | -124.38, 97.95 | APE9-dihe-na | 107.79, 145.21 | APE8-dihe-in | -101.0, 124.94 | APE8-rot-out | 173.89 | APE67-dihe-out | -62.85, -25.62 | -86.4, 70.14 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-none | 999.0 | APE9-dist-out | 13.6839 | D389N,T423E,E503D | None | None | XRAY | 2.36 | 0.198 | 0.255 | B | 289.0 | 260.0 | 28 | 28 | 17 | 11 | [[270, 521]] | 1.0 | 5kbr | STE_PAK1_HUMAN | STE | 6.1e-94 | 320.1 | 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 | 5KBRA | Q13153 | 255 | 542 | 545.0 | IPW:601 | Type1 | Inactive | DFGin | 5.8451 | 15.2779 | BLAminus | -141.56, -170.23 | 54.38, 91.67 | -104.24, 18.58 | 293.46, 82.67 | -60.59, -23.31 | in-out | in | 9.9862 | Saltbr-out | 5.1442 | HRD-in | -67.2, -55.46 | 77.45, -3.44 | out-in-in | SNCoii | in-in | ActLoopNT-in | 3.0089 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -129.48, 150.95 | APE9-dihe-na | 138.19, -160.73 | APE8-dihe-in | -111.57, 122.93 | APE8-rot-in | 303.63 | APE67-dihe-in | -61.71, -20.1 | -36.06, -55.95 | APE12-dist-in | 9.4666 | APE11-dist-in | 11.7243 | APE10-dist-in | 5.7593 | APE9-dist-in | 3.3903 | D389N,T423E,E503D | None | None | XRAY | 2.36 | 0.198 | 0.255 | A | 289.0 | 259.0 | 29 | 28 | 21 | 7 | [[270, 521]] | 1.0 | 5kbr | Homo sapiens | STE_PAK1_HUMAN | STE | 6.1e-94 | 320.1 | 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 | 5KBRB | Q13153 | 255 | 542 | 545.0 | IPW:601 | Type1 | Inactive | None | 999.0 | 999.0 | None | -138.44, 162.05 | 51.69, 999.0 | 999.0, 999.0 | 999.0, 999.0 | 999.0, 999.0 | out-out | out | 10.9284 | Saltbr-out | 9.3862 | HRD-in | -61.91, -54.34 | 77.67, -17.26 | out-none-out | SNCono | none-out | ActLoopNT-none | 999.0 | ActLoopCT-out | nonTYR | APEdihe_aaioo | APEdist_nnno | APE10-dihe-na | -124.38, 97.95 | APE9-dihe-na | 107.79, 145.21 | APE8-dihe-in | -101.0, 124.94 | APE8-rot-out | 173.89 | APE67-dihe-out | -62.85, -25.62 | -86.4, 70.14 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-none | 999.0 | APE9-dist-out | 13.6839 | D389N,T423E,E503D | None | None | XRAY | 2.36 | 0.198 | 0.255 | B | 289.0 | 260.0 | 28 | 28 | 17 | 11 | [[270, 521]] | 1.0 | 5kbr | Homo sapiens | STE_PAK1_HUMAN | STE | 6.1e-94 | 320.1 | 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 |
|---|