| 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 | 4ZY6A | Q13153 | 251 | 542 | 545.0 | 4T6:601 | Type1 | Active | DFGin | 6.3697 | 15.5995 | BLAminus | -124.33, -176.81 | 68.32, 82.28 | -102.18, 16.64 | 290.4, 85.25 | -64.14, -39.63 | in-in | in | 9.3354 | Saltbr-in | 3.4248 | HRD-in | -64.26, -49.18 | 70.16, -0.04 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.8392 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -118.56, 145.89 | APE9-dihe-na | 126.15, -159.35 | APE8-dihe-in | -113.76, 123.67 | APE8-rot-in | 314.33 | APE67-dihe-in | -56.84, -27.56 | -37.43, -56.54 | APE12-dist-in | 9.8938 | APE11-dist-in | 11.7589 | APE10-dist-in | 5.7602 | APE9-dist-in | 3.4077 | D389N | None | None | XRAY | 2.15 | 0.19 | 0.239 | A | 301.0 | 284.0 | 8 | 28 | 28 | 0 | [[270, 521]] | 1.0 | 4zy6 | STE_PAK1_HUMAN | STE | 1.7e-94 | 321.9 | 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 | 4ZY6B | Q13153 | 255 | 542 | 545.0 | 4T6:601 | Type1 | Inactive | DFGin | 7.3296 | 14.857 | BLAplus | -137.95, -177.44 | 63.64, 58.44 | -130.69, 45.59 | 56.15, 96.87 | 125.54, 96.41 | out-out | out | 11.1288 | Saltbr-out | 8.3718 | HRD-in | -65.9, -55.98 | 79.77, -18.59 | out-none-out | SNCono | none-out | ActLoopNT-none | 999.0 | ActLoopCT-out | nonTYR | APEdihe_aaiio | APEdist_oooo | APE10-dihe-na | -102.38, -43.6 | APE9-dihe-na | -101.32, 157.95 | APE8-dihe-in | -89.91, 118.25 | APE8-rot-in | 299.84 | APE67-dihe-out | -52.83, -26.99 | -85.81, 57.42 | APE12-dist-out | 24.2559 | APE11-dist-out | 21.7524 | APE10-dist-out | 20.4802 | APE9-dist-out | 13.3385 | D389N | None | None | XRAY | 2.15 | 0.19 | 0.239 | B | 301.0 | 280.0 | 8 | 28 | 20 | 8 | [[270, 521]] | 1.0 | 4zy6 | STE_PAK1_HUMAN | STE | 1.7e-94 | 321.9 | 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 | 4ZY6A | Q13153 | 251 | 542 | 545.0 | 4T6:601 | Type1 | Active | DFGin | 6.3697 | 15.5995 | BLAminus | -124.33, -176.81 | 68.32, 82.28 | -102.18, 16.64 | 290.4, 85.25 | -64.14, -39.63 | in-in | in | 9.3354 | Saltbr-in | 3.4248 | HRD-in | -64.26, -49.18 | 70.16, -0.04 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.8392 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -118.56, 145.89 | APE9-dihe-na | 126.15, -159.35 | APE8-dihe-in | -113.76, 123.67 | APE8-rot-in | 314.33 | APE67-dihe-in | -56.84, -27.56 | -37.43, -56.54 | APE12-dist-in | 9.8938 | APE11-dist-in | 11.7589 | APE10-dist-in | 5.7602 | APE9-dist-in | 3.4077 | D389N | None | None | XRAY | 2.15 | 0.19 | 0.239 | A | 301.0 | 284.0 | 8 | 28 | 28 | 0 | [[270, 521]] | 1.0 | 4zy6 | Homo sapiens | STE_PAK1_HUMAN | STE | 1.7e-94 | 321.9 | 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 | 4ZY6B | Q13153 | 255 | 542 | 545.0 | 4T6:601 | Type1 | Inactive | DFGin | 7.3296 | 14.857 | BLAplus | -137.95, -177.44 | 63.64, 58.44 | -130.69, 45.59 | 56.15, 96.87 | 125.54, 96.41 | out-out | out | 11.1288 | Saltbr-out | 8.3718 | HRD-in | -65.9, -55.98 | 79.77, -18.59 | out-none-out | SNCono | none-out | ActLoopNT-none | 999.0 | ActLoopCT-out | nonTYR | APEdihe_aaiio | APEdist_oooo | APE10-dihe-na | -102.38, -43.6 | APE9-dihe-na | -101.32, 157.95 | APE8-dihe-in | -89.91, 118.25 | APE8-rot-in | 299.84 | APE67-dihe-out | -52.83, -26.99 | -85.81, 57.42 | APE12-dist-out | 24.2559 | APE11-dist-out | 21.7524 | APE10-dist-out | 20.4802 | APE9-dist-out | 13.3385 | D389N | None | None | XRAY | 2.15 | 0.19 | 0.239 | B | 301.0 | 280.0 | 8 | 28 | 20 | 8 | [[270, 521]] | 1.0 | 4zy6 | Homo sapiens | STE_PAK1_HUMAN | STE | 1.7e-94 | 321.9 | 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 |
|---|