| 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 | 4O0TA | Q13153 | 251 | 542 | 545.0 | 2OL:601 | Type1.5_Back | Active | DFGin | 7.3537 | 15.0133 | BLAminus | -138.21, 179.53 | 54.98, 78.67 | -95.68, 34.69 | 286.09, 72.16 | -68.1, -23.93 | in-in | in | 9.6433 | Saltbr-in | 2.6265 | HRD-in | -69.53, -51.5 | 72.44, 8.97 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.9076 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -120.79, 157.65 | APE9-dihe-na | 117.9, -168.87 | APE8-dihe-in | -105.79, 122.09 | APE8-rot-in | 310.14 | APE67-dihe-in | -61.49, -28.5 | -29.13, -62.82 | APE12-dist-in | 9.2528 | APE11-dist-in | 11.7909 | APE10-dist-in | 5.8618 | APE9-dist-in | 3.2953 | None | None | None | XRAY | 2.6 | 0.217 | 0.265 | A | 300.0 | 292.0 | 0 | 28 | 28 | 0 | [[270, 521]] | 1.0 | 4o0t | 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 | 4O0TB | Q13153 | 255 | 542 | 545.0 | No_ligand | No_ligand | Inactive | DFGin | 8.1487 | 13.6047 | None | -152.82, 167.65 | 64.98, 77.89 | -160.54, 999.0 | 57.61, 97.43 | 999.0, 999.0 | out-out | out | 11.064 | Saltbr-out | 8.0427 | HRD-in | -68.58, -49.06 | 70.12, -10.56 | out-none-out | SNCono | none-out | ActLoopNT-none | 999.0 | ActLoopCT-out | nonTYR | APEdihe_aaiio | APEdist_nnno | APE10-dihe-na | -113.09, 110.46 | APE9-dihe-na | 88.48, 133.73 | APE8-dihe-in | -75.78, 128.16 | APE8-rot-in | 298.99 | APE67-dihe-out | -65.51, -17.68 | -81.05, 73.09 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-none | 999.0 | APE9-dist-out | 13.689 | None | None | None | XRAY | 2.6 | 0.217 | 0.265 | B | 300.0 | 280.0 | 8 | 28 | 20 | 8 | [[270, 521]] | 1.0 | 4o0t | 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 | 4O0TA | Q13153 | 251 | 542 | 545.0 | 2OL:601 | Type1.5_Back | Active | DFGin | 7.3537 | 15.0133 | BLAminus | -138.21, 179.53 | 54.98, 78.67 | -95.68, 34.69 | 286.09, 72.16 | -68.1, -23.93 | in-in | in | 9.6433 | Saltbr-in | 2.6265 | HRD-in | -69.53, -51.5 | 72.44, 8.97 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.9076 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -120.79, 157.65 | APE9-dihe-na | 117.9, -168.87 | APE8-dihe-in | -105.79, 122.09 | APE8-rot-in | 310.14 | APE67-dihe-in | -61.49, -28.5 | -29.13, -62.82 | APE12-dist-in | 9.2528 | APE11-dist-in | 11.7909 | APE10-dist-in | 5.8618 | APE9-dist-in | 3.2953 | None | None | None | XRAY | 2.6 | 0.217 | 0.265 | A | 300.0 | 292.0 | 0 | 28 | 28 | 0 | [[270, 521]] | 1.0 | 4o0t | 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 | 4O0TB | Q13153 | 255 | 542 | 545.0 | No_ligand | No_ligand | Inactive | DFGin | 8.1487 | 13.6047 | None | -152.82, 167.65 | 64.98, 77.89 | -160.54, 999.0 | 57.61, 97.43 | 999.0, 999.0 | out-out | out | 11.064 | Saltbr-out | 8.0427 | HRD-in | -68.58, -49.06 | 70.12, -10.56 | out-none-out | SNCono | none-out | ActLoopNT-none | 999.0 | ActLoopCT-out | nonTYR | APEdihe_aaiio | APEdist_nnno | APE10-dihe-na | -113.09, 110.46 | APE9-dihe-na | 88.48, 133.73 | APE8-dihe-in | -75.78, 128.16 | APE8-rot-in | 298.99 | APE67-dihe-out | -65.51, -17.68 | -81.05, 73.09 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-none | 999.0 | APE9-dist-out | 13.689 | None | None | None | XRAY | 2.6 | 0.217 | 0.265 | B | 300.0 | 280.0 | 8 | 28 | 20 | 8 | [[270, 521]] | 1.0 | 4o0t | 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 |
|---|