| 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 | 3Q4ZA | Q13153 | 251 | 545 | 545.0 | ANP:60800 | ATPlike | None | DFGin | 6.0861 | 15.9823 | BLAminus | -129.5, -163.35 | 61.16, 72.73 | -92.37, 13.66 | 295.77, 79.36 | -60.94, -29.11 | out-none | out | 10.1866 | Saltbr-none | 999.0 | HRD-in | -71.1, -48.5 | 65.7, -2.93 | none-in-in | SNCnii | in-in | ActLoopNT-in | 2.7668 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -121.35, 142.5 | APE9-dihe-na | 131.45, -160.89 | APE8-dihe-in | -120.18, 125.75 | APE8-rot-in | 304.74 | APE67-dihe-in | -64.8, -21.76 | -41.32, -52.02 | APE12-dist-in | 9.9567 | APE11-dist-in | 11.7432 | APE10-dist-in | 6.0277 | APE9-dist-in | 3.3321 | S259I,K299R,D389N,L516I | None | None | XRAY | 1.887 | 0.186 | 0.231 | A | 306.0 | 281.0 | 12 | 28 | 28 | 0 | [[270, 521]] | 1.0 | 3q4z | STE_PAK1_HUMAN | STE | 2e-93 | 318.4 | 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 | 3Q4ZB | Q13153 | 250 | 541 | 545.0 | No_ligand | No_ligand | Inactive | DFGin | 8.0015 | 14.8016 | None | -130.95, 172.79 | 58.85, 58.79 | -133.76, 999.0 | 55.71, 98.96 | 999.0, 999.0 | out-none | out | 11.7739 | Saltbr-none | 999.0 | HRD-in | -65.63, -50.79 | 80.23, -14.67 | none-none-out | SNCnno | none-out | ActLoopNT-none | 999.0 | ActLoopCT-out | nonTYR | APEdihe_aaiio | APEdist_nnno | APE10-dihe-na | -106.94, -63.76 | APE9-dihe-na | -80.08, 161.6 | APE8-dihe-in | -94.98, 117.43 | APE8-rot-in | 294.62 | APE67-dihe-out | -66.0, -21.92 | -79.94, 65.54 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-none | 999.0 | APE9-dist-out | 13.0344 | S259I,K299R,D389N,L516I | None | None | XRAY | 1.887 | 0.186 | 0.231 | B | 306.0 | 279.0 | 13 | 28 | 19 | 9 | [[270, 521]] | 1.0 | 3q4z | STE_PAK1_HUMAN | STE | 2e-93 | 318.4 | 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 | 3Q4ZA | Q13153 | 251 | 545 | 545.0 | ANP:60800 | ATPlike | None | DFGin | 6.0861 | 15.9823 | BLAminus | -129.5, -163.35 | 61.16, 72.73 | -92.37, 13.66 | 295.77, 79.36 | -60.94, -29.11 | out-none | out | 10.1866 | Saltbr-none | 999.0 | HRD-in | -71.1, -48.5 | 65.7, -2.93 | none-in-in | SNCnii | in-in | ActLoopNT-in | 2.7668 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -121.35, 142.5 | APE9-dihe-na | 131.45, -160.89 | APE8-dihe-in | -120.18, 125.75 | APE8-rot-in | 304.74 | APE67-dihe-in | -64.8, -21.76 | -41.32, -52.02 | APE12-dist-in | 9.9567 | APE11-dist-in | 11.7432 | APE10-dist-in | 6.0277 | APE9-dist-in | 3.3321 | S259I,K299R,D389N,L516I | None | None | XRAY | 1.887 | 0.186 | 0.231 | A | 306.0 | 281.0 | 12 | 28 | 28 | 0 | [[270, 521]] | 1.0 | 3q4z | Homo sapiens | STE_PAK1_HUMAN | STE | 2e-93 | 318.4 | 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 | 3Q4ZB | Q13153 | 250 | 541 | 545.0 | No_ligand | No_ligand | Inactive | DFGin | 8.0015 | 14.8016 | None | -130.95, 172.79 | 58.85, 58.79 | -133.76, 999.0 | 55.71, 98.96 | 999.0, 999.0 | out-none | out | 11.7739 | Saltbr-none | 999.0 | HRD-in | -65.63, -50.79 | 80.23, -14.67 | none-none-out | SNCnno | none-out | ActLoopNT-none | 999.0 | ActLoopCT-out | nonTYR | APEdihe_aaiio | APEdist_nnno | APE10-dihe-na | -106.94, -63.76 | APE9-dihe-na | -80.08, 161.6 | APE8-dihe-in | -94.98, 117.43 | APE8-rot-in | 294.62 | APE67-dihe-out | -66.0, -21.92 | -79.94, 65.54 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-none | 999.0 | APE9-dist-out | 13.0344 | S259I,K299R,D389N,L516I | None | None | XRAY | 1.887 | 0.186 | 0.231 | B | 306.0 | 279.0 | 13 | 28 | 19 | 9 | [[270, 521]] | 1.0 | 3q4z | Homo sapiens | STE_PAK1_HUMAN | STE | 2e-93 | 318.4 | 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 |
|---|