| 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 | 5IMEA | Q13153 | 251 | 545 | 545.0 | 6BZ:60601 | Type1.5_Back | Inactive | DFGin | 6.6562 | 16.3282 | BLAminus | -137.87, -179.8 | 51.88, 81.34 | -97.95, 22.88 | 284.17, 74.82 | -62.06, -18.36 | out-out | out | 10.2117 | Saltbr-out | 4.5807 | HRD-in | -79.71, -46.29 | 66.53, -0.64 | out-in-in | SNCoii | in-in | ActLoopNT-in | 2.9746 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -139.77, 137.94 | APE9-dihe-na | 136.35, -167.71 | APE8-dihe-in | -107.0, 124.56 | APE8-rot-in | 306.84 | APE67-dihe-in | -62.3, -20.35 | -39.21, -56.47 | APE12-dist-in | 10.1867 | APE11-dist-in | 11.6666 | APE10-dist-in | 5.8882 | APE9-dist-in | 3.4799 | None | None | None | XRAY | 2.217 | 0.226 | 0.263 | A | 300.0 | 279.0 | 14 | 28 | 28 | 0 | [[270, 521]] | 1.0 | 5ime | 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 | 5IMEB | Q13153 | 250 | 541 | 545.0 | 6BZ:60601 | Type1 | Inactive | DFGin | 6.7938 | 15.4227 | None | -141.05, 172.61 | 52.99, 75.91 | -151.54, 999.0 | 56.92, 93.17 | 999.0, 999.0 | out-out | out | 12.9033 | Saltbr-out | 9.9854 | HRD-in | -70.09, -49.96 | 77.67, -19.32 | out-none-out | SNCono | none-out | ActLoopNT-none | 999.0 | ActLoopCT-out | nonTYR | APEdihe_aaiio | APEdist_nnno | APE10-dihe-na | -67.92, -63.94 | APE9-dihe-na | -112.92, 178.31 | APE8-dihe-in | -97.52, 114.89 | APE8-rot-in | 302.24 | APE67-dihe-out | -63.71, -21.19 | -77.9, 63.6 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-none | 999.0 | APE9-dist-out | 13.7136 | None | None | None | XRAY | 2.217 | 0.226 | 0.263 | B | 300.0 | 280.0 | 12 | 28 | 20 | 8 | [[270, 521]] | 1.0 | 5ime | 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 | 5IMEA | Q13153 | 251 | 545 | 545.0 | 6BZ:60601 | Type1.5_Back | Inactive | DFGin | 6.6562 | 16.3282 | BLAminus | -137.87, -179.8 | 51.88, 81.34 | -97.95, 22.88 | 284.17, 74.82 | -62.06, -18.36 | out-out | out | 10.2117 | Saltbr-out | 4.5807 | HRD-in | -79.71, -46.29 | 66.53, -0.64 | out-in-in | SNCoii | in-in | ActLoopNT-in | 2.9746 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -139.77, 137.94 | APE9-dihe-na | 136.35, -167.71 | APE8-dihe-in | -107.0, 124.56 | APE8-rot-in | 306.84 | APE67-dihe-in | -62.3, -20.35 | -39.21, -56.47 | APE12-dist-in | 10.1867 | APE11-dist-in | 11.6666 | APE10-dist-in | 5.8882 | APE9-dist-in | 3.4799 | None | None | None | XRAY | 2.217 | 0.226 | 0.263 | A | 300.0 | 279.0 | 14 | 28 | 28 | 0 | [[270, 521]] | 1.0 | 5ime | 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 | 5IMEB | Q13153 | 250 | 541 | 545.0 | 6BZ:60601 | Type1 | Inactive | DFGin | 6.7938 | 15.4227 | None | -141.05, 172.61 | 52.99, 75.91 | -151.54, 999.0 | 56.92, 93.17 | 999.0, 999.0 | out-out | out | 12.9033 | Saltbr-out | 9.9854 | HRD-in | -70.09, -49.96 | 77.67, -19.32 | out-none-out | SNCono | none-out | ActLoopNT-none | 999.0 | ActLoopCT-out | nonTYR | APEdihe_aaiio | APEdist_nnno | APE10-dihe-na | -67.92, -63.94 | APE9-dihe-na | -112.92, 178.31 | APE8-dihe-in | -97.52, 114.89 | APE8-rot-in | 302.24 | APE67-dihe-out | -63.71, -21.19 | -77.9, 63.6 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-none | 999.0 | APE9-dist-out | 13.7136 | None | None | None | XRAY | 2.217 | 0.226 | 0.263 | B | 300.0 | 280.0 | 12 | 28 | 20 | 8 | [[270, 521]] | 1.0 | 5ime | 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 |
|---|