| 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 | 5DEYA | Q13153 | 250 | 544 | 545.0 | 59T:601 | Type1.5_Back | Inactive | DFGin | 6.6004 | 16.1661 | BLAminus | -131.14, -174.85 | 50.94, 92.95 | -106.38, 27.39 | 288.04, 68.31 | -72.58, -10.67 | out-out | out | 10.3982 | Saltbr-out | 5.8342 | HRD-in | -69.08, -50.91 | 69.33, -1.54 | out-in-in | SNCoii | in-in | ActLoopNT-in | 2.866 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -121.31, 128.21 | APE9-dihe-na | 145.37, -164.07 | APE8-dihe-in | -109.42, 124.2 | APE8-rot-in | 309.98 | APE67-dihe-in | -54.43, -26.29 | -42.69, -59.37 | APE12-dist-in | 10.1661 | APE11-dist-in | 11.8261 | APE10-dist-in | 6.0856 | APE9-dist-in | 3.5747 | D389N,T423E | None | None | XRAY | 2.1 | 0.186 | 0.228 | A | 297.0 | 295.0 | 0 | 28 | 28 | 0 | [[270, 521]] | 1.0 | 5dey | 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 | 5DEYB | Q13153 | 255 | 542 | 545.0 | 59T:601 | Type1 | Inactive | DFGin | 7.3498 | 15.4583 | None | -123.29, 170.33 | -82.44, 174.75 | -121.32, 55.91 | 7.6, 122.84 | -96.3, -43.82 | out-out | out | 11.7695 | Saltbr-out | 9.8581 | HRD-in | -72.29, -49.87 | 79.14, -22.24 | out-none-out | SNCono | none-out | ActLoopNT-none | 999.0 | ActLoopCT-out | nonTYR | APEdihe_aaiio | APEdist_oooo | APE10-dihe-na | -79.22, -70.08 | APE9-dihe-na | -89.37, 158.31 | APE8-dihe-in | -85.28, 117.06 | APE8-rot-in | 296.79 | APE67-dihe-out | -66.47, -20.46 | -79.34, 69.72 | APE12-dist-out | 19.4815 | APE11-dist-out | 16.9726 | APE10-dist-out | 15.3171 | APE9-dist-out | 12.9671 | D389N,T423E | None | None | XRAY | 2.1 | 0.186 | 0.228 | B | 297.0 | 281.0 | 7 | 28 | 21 | 7 | [[270, 521]] | 1.0 | 5dey | 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 | 5DEYA | Q13153 | 250 | 544 | 545.0 | 59T:601 | Type1.5_Back | Inactive | DFGin | 6.6004 | 16.1661 | BLAminus | -131.14, -174.85 | 50.94, 92.95 | -106.38, 27.39 | 288.04, 68.31 | -72.58, -10.67 | out-out | out | 10.3982 | Saltbr-out | 5.8342 | HRD-in | -69.08, -50.91 | 69.33, -1.54 | out-in-in | SNCoii | in-in | ActLoopNT-in | 2.866 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -121.31, 128.21 | APE9-dihe-na | 145.37, -164.07 | APE8-dihe-in | -109.42, 124.2 | APE8-rot-in | 309.98 | APE67-dihe-in | -54.43, -26.29 | -42.69, -59.37 | APE12-dist-in | 10.1661 | APE11-dist-in | 11.8261 | APE10-dist-in | 6.0856 | APE9-dist-in | 3.5747 | D389N,T423E | None | None | XRAY | 2.1 | 0.186 | 0.228 | A | 297.0 | 295.0 | 0 | 28 | 28 | 0 | [[270, 521]] | 1.0 | 5dey | 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 | 5DEYB | Q13153 | 255 | 542 | 545.0 | 59T:601 | Type1 | Inactive | DFGin | 7.3498 | 15.4583 | None | -123.29, 170.33 | -82.44, 174.75 | -121.32, 55.91 | 7.6, 122.84 | -96.3, -43.82 | out-out | out | 11.7695 | Saltbr-out | 9.8581 | HRD-in | -72.29, -49.87 | 79.14, -22.24 | out-none-out | SNCono | none-out | ActLoopNT-none | 999.0 | ActLoopCT-out | nonTYR | APEdihe_aaiio | APEdist_oooo | APE10-dihe-na | -79.22, -70.08 | APE9-dihe-na | -89.37, 158.31 | APE8-dihe-in | -85.28, 117.06 | APE8-rot-in | 296.79 | APE67-dihe-out | -66.47, -20.46 | -79.34, 69.72 | APE12-dist-out | 19.4815 | APE11-dist-out | 16.9726 | APE10-dist-out | 15.3171 | APE9-dist-out | 12.9671 | D389N,T423E | None | None | XRAY | 2.1 | 0.186 | 0.228 | B | 297.0 | 281.0 | 7 | 28 | 21 | 7 | [[270, 521]] | 1.0 | 5dey | 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 |
|---|