| 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 | 1F3MC | Q13153 | 249 | 542 | 545.0 | No_ligand | No_ligand | Inactive | DFGin | 7.2388 | 14.401 | BLAplus | -130.71, -178.97 | 61.61, 33.97 | -100.37, 7.26 | 52.81, 78.69 | -172.47, -176.77 | out-none | out | 11.81 | Saltbr-none | 999.0 | HRD-in | -66.98, -55.57 | 81.14, -18.68 | none-out-out | SNCnoo | out-out | ActLoopNT-out | 12.3897 | ActLoopCT-out | nonTYR | APEdihe_aaioo | APEdist_oooo | APE10-dihe-na | -156.28, 132.75 | APE9-dihe-na | 106.58, -146.99 | APE8-dihe-in | -117.56, 142.28 | APE8-rot-out | 112.36 | APE67-dihe-out | -48.92, -8.66 | -78.32, 59.56 | APE12-dist-out | 16.0902 | APE11-dist-out | 15.3169 | APE10-dist-out | 20.5869 | APE9-dist-out | 14.5242 | None | None | None | XRAY | 2.3 | 0.237 | 0.258 | C | 297.0 | 287.0 | 7 | 28 | 21 | 7 | [[270, 521]] | 1.0 | 1f3m | STE_PAK1_HUMAN | STE | 1.5e-94 | 322.1 | 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 | 1F3MD | Q13153 | 249 | 542 | 545.0 | No_ligand | No_ligand | Inactive | DFGin | 7.2433 | 14.556 | BLAplus | -127.18, -174.58 | 57.39, 35.2 | -100.83, 10.94 | 56.37, 77.74 | -171.94, -168.92 | out-none | out | 11.7584 | Saltbr-none | 999.0 | HRD-in | -66.49, -53.54 | 76.49, -14.09 | none-out-out | SNCnoo | out-out | ActLoopNT-out | 11.7226 | ActLoopCT-out | nonTYR | APEdihe_aaioi | APEdist_nnno | APE10-dihe-na | 999.0, 999.0 | APE9-dihe-na | 999.0, -176.56 | APE8-dihe-in | -109.71, 150.87 | APE8-rot-out | 114.09 | APE67-dihe-in | -36.41, -25.56 | -59.28, 29.76 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-none | 999.0 | APE9-dist-out | 13.9262 | None | None | None | XRAY | 2.3 | 0.237 | 0.258 | D | 297.0 | 285.0 | 9 | 28 | 19 | 9 | [[270, 521]] | 1.0 | 1f3m | STE_PAK1_HUMAN | STE | 1.5e-94 | 322.1 | 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 | 1F3MC | Q13153 | 249 | 542 | 545.0 | No_ligand | No_ligand | Inactive | DFGin | 7.2388 | 14.401 | BLAplus | -130.71, -178.97 | 61.61, 33.97 | -100.37, 7.26 | 52.81, 78.69 | -172.47, -176.77 | out-none | out | 11.81 | Saltbr-none | 999.0 | HRD-in | -66.98, -55.57 | 81.14, -18.68 | none-out-out | SNCnoo | out-out | ActLoopNT-out | 12.3897 | ActLoopCT-out | nonTYR | APEdihe_aaioo | APEdist_oooo | APE10-dihe-na | -156.28, 132.75 | APE9-dihe-na | 106.58, -146.99 | APE8-dihe-in | -117.56, 142.28 | APE8-rot-out | 112.36 | APE67-dihe-out | -48.92, -8.66 | -78.32, 59.56 | APE12-dist-out | 16.0902 | APE11-dist-out | 15.3169 | APE10-dist-out | 20.5869 | APE9-dist-out | 14.5242 | None | None | None | XRAY | 2.3 | 0.237 | 0.258 | C | 297.0 | 287.0 | 7 | 28 | 21 | 7 | [[270, 521]] | 1.0 | 1f3m | Homo sapiens | STE_PAK1_HUMAN | STE | 1.5e-94 | 322.1 | 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 | 1F3MD | Q13153 | 249 | 542 | 545.0 | No_ligand | No_ligand | Inactive | DFGin | 7.2433 | 14.556 | BLAplus | -127.18, -174.58 | 57.39, 35.2 | -100.83, 10.94 | 56.37, 77.74 | -171.94, -168.92 | out-none | out | 11.7584 | Saltbr-none | 999.0 | HRD-in | -66.49, -53.54 | 76.49, -14.09 | none-out-out | SNCnoo | out-out | ActLoopNT-out | 11.7226 | ActLoopCT-out | nonTYR | APEdihe_aaioi | APEdist_nnno | APE10-dihe-na | 999.0, 999.0 | APE9-dihe-na | 999.0, -176.56 | APE8-dihe-in | -109.71, 150.87 | APE8-rot-out | 114.09 | APE67-dihe-in | -36.41, -25.56 | -59.28, 29.76 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-none | 999.0 | APE9-dist-out | 13.9262 | None | None | None | XRAY | 2.3 | 0.237 | 0.258 | D | 297.0 | 285.0 | 9 | 28 | 19 | 9 | [[270, 521]] | 1.0 | 1f3m | Homo sapiens | STE_PAK1_HUMAN | STE | 1.5e-94 | 322.1 | 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 |
|---|