| 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 | 9NBXA | Q13153 | 249 | 541 | 545.0 | A1BW5:601 | Type1 | Inactive | DFGin | 6.415 | 16.3905 | BLAminus | -133.9, 178.26 | 72.68, 87.14 | -103.42, 26.0 | 289.79, 71.52 | -68.17, -21.93 | out-out | out | 11.1996 | Saltbr-out | 6.2652 | HRD-in | -70.51, -53.85 | 75.18, 1.45 | out-in-in | SNCoii | in-in | ActLoopNT-in | 2.8507 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -122.93, 146.14 | APE9-dihe-na | 132.64, -161.19 | APE8-dihe-in | -114.99, 125.59 | APE8-rot-in | 309.67 | APE67-dihe-in | -58.1, -22.75 | -46.02, -55.77 | APE12-dist-in | 9.6375 | APE11-dist-in | 11.6885 | APE10-dist-in | 5.74 | APE9-dist-in | 3.4601 | None | None | None | XRAY | 2.15 | 0.227 | 0.265 | A | 537.0 | 281.0 | 12 | 28 | 28 | 0 | [[270, 521]] | 1.0 | 9nbx | STE_PAK1_HUMAN | STE | 1.9e-93 | 318.6 | 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 | 9NBXB | Q13153 | 254 | 542 | 545.0 | A1BW5:602 | Type1 | Inactive | DFGin | 7.7528 | 15.6773 | BLBplus | -146.87, 173.54 | 63.3, 58.82 | -144.07, 169.54 | 66.8, 100.92 | -112.02, 130.29 | out-out | out | 11.64 | Saltbr-out | 8.6785 | HRD-in | -72.03, -50.16 | 78.2, -11.04 | out-none-out | SNCono | none-out | ActLoopNT-none | 999.0 | ActLoopCT-out | nonTYR | APEdihe_aaiio | APEdist_oooo | APE10-dihe-na | -134.83, 122.8 | APE9-dihe-na | -107.91, -115.53 | APE8-dihe-in | -98.0, 122.39 | APE8-rot-in | 300.81 | APE67-dihe-out | -65.12, -18.49 | -89.65, 64.37 | APE12-dist-out | 28.2336 | APE11-dist-out | 25.096 | APE10-dist-out | 24.7536 | APE9-dist-out | 13.4739 | None | None | None | XRAY | 2.15 | 0.227 | 0.265 | B | 537.0 | 276.0 | 13 | 28 | 22 | 6 | [[270, 521]] | 1.0 | 9nbx | STE_PAK1_HUMAN | STE | 1.9e-93 | 318.6 | 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 | 9NBXA | Q13153 | 249 | 541 | 545.0 | A1BW5:601 | Type1 | Inactive | DFGin | 6.415 | 16.3905 | BLAminus | -133.9, 178.26 | 72.68, 87.14 | -103.42, 26.0 | 289.79, 71.52 | -68.17, -21.93 | out-out | out | 11.1996 | Saltbr-out | 6.2652 | HRD-in | -70.51, -53.85 | 75.18, 1.45 | out-in-in | SNCoii | in-in | ActLoopNT-in | 2.8507 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -122.93, 146.14 | APE9-dihe-na | 132.64, -161.19 | APE8-dihe-in | -114.99, 125.59 | APE8-rot-in | 309.67 | APE67-dihe-in | -58.1, -22.75 | -46.02, -55.77 | APE12-dist-in | 9.6375 | APE11-dist-in | 11.6885 | APE10-dist-in | 5.74 | APE9-dist-in | 3.4601 | None | None | None | XRAY | 2.15 | 0.227 | 0.265 | A | 537.0 | 281.0 | 12 | 28 | 28 | 0 | [[270, 521]] | 1.0 | 9nbx | Homo sapiens | STE_PAK1_HUMAN | STE | 1.9e-93 | 318.6 | 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 | 9NBXB | Q13153 | 254 | 542 | 545.0 | A1BW5:602 | Type1 | Inactive | DFGin | 7.7528 | 15.6773 | BLBplus | -146.87, 173.54 | 63.3, 58.82 | -144.07, 169.54 | 66.8, 100.92 | -112.02, 130.29 | out-out | out | 11.64 | Saltbr-out | 8.6785 | HRD-in | -72.03, -50.16 | 78.2, -11.04 | out-none-out | SNCono | none-out | ActLoopNT-none | 999.0 | ActLoopCT-out | nonTYR | APEdihe_aaiio | APEdist_oooo | APE10-dihe-na | -134.83, 122.8 | APE9-dihe-na | -107.91, -115.53 | APE8-dihe-in | -98.0, 122.39 | APE8-rot-in | 300.81 | APE67-dihe-out | -65.12, -18.49 | -89.65, 64.37 | APE12-dist-out | 28.2336 | APE11-dist-out | 25.096 | APE10-dist-out | 24.7536 | APE9-dist-out | 13.4739 | None | None | None | XRAY | 2.15 | 0.227 | 0.265 | B | 537.0 | 276.0 | 13 | 28 | 22 | 6 | [[270, 521]] | 1.0 | 9nbx | Homo sapiens | STE_PAK1_HUMAN | STE | 1.9e-93 | 318.6 | 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 |
|---|