| 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 | 4ZY5A | Q13153 | 251 | 542 | 545.0 | 4T5:601 | Type1 | Active | DFGin | 6.0368 | 14.8956 | BLAminus | -140.18, -173.08 | 62.57, 82.16 | -105.04, 12.63 | 288.26, 87.61 | -64.64, -16.81 | in-in | in | 9.3868 | Saltbr-in | 3.1482 | HRD-in | -71.51, -47.64 | 70.51, 2.03 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.8838 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -117.85, 152.88 | APE9-dihe-na | 123.41, -158.15 | APE8-dihe-in | -123.57, 124.85 | APE8-rot-in | 306.44 | APE67-dihe-in | -58.91, -22.59 | -43.54, -56.9 | APE12-dist-in | 10.0249 | APE11-dist-in | 11.8023 | APE10-dist-in | 5.8551 | APE9-dist-in | 3.4127 | None | None | None | XRAY | 2.35 | 0.197 | 0.23 | A | 301.0 | 283.0 | 9 | 28 | 28 | 0 | [[270, 521]] | 1.0 | 4zy5 | 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 | 4ZY5B | Q13153 | 255 | 542 | 545.0 | 4T5:601 | Type1 | Inactive | DFGin | 7.6795 | 15.0252 | BLBplus | -144.24, -172.24 | 51.42, 58.7 | -146.64, 154.06 | 70.17, 94.16 | -108.49, 142.04 | out-out | out | 10.8855 | Saltbr-out | 11.5357 | HRD-in | -63.47, -50.88 | 76.11, -13.15 | out-out-out | SNCooo | out-out | ActLoopNT-out | 7.8509 | ActLoopCT-out | nonTYR | APEdihe_aaiio | APEdist_oooo | APE10-dihe-na | -108.68, 131.57 | APE9-dihe-na | 77.65, 153.4 | APE8-dihe-in | -96.17, 124.9 | APE8-rot-in | 292.58 | APE67-dihe-out | -64.89, -20.19 | -81.42, 68.34 | APE12-dist-out | 29.0146 | APE11-dist-out | 25.4808 | APE10-dist-out | 25.8671 | APE9-dist-out | 13.7708 | None | None | None | XRAY | 2.35 | 0.197 | 0.23 | B | 301.0 | 287.0 | 1 | 28 | 28 | 0 | [[270, 521]] | 1.0 | 4zy5 | 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 | 4ZY5A | Q13153 | 251 | 542 | 545.0 | 4T5:601 | Type1 | Active | DFGin | 6.0368 | 14.8956 | BLAminus | -140.18, -173.08 | 62.57, 82.16 | -105.04, 12.63 | 288.26, 87.61 | -64.64, -16.81 | in-in | in | 9.3868 | Saltbr-in | 3.1482 | HRD-in | -71.51, -47.64 | 70.51, 2.03 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.8838 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -117.85, 152.88 | APE9-dihe-na | 123.41, -158.15 | APE8-dihe-in | -123.57, 124.85 | APE8-rot-in | 306.44 | APE67-dihe-in | -58.91, -22.59 | -43.54, -56.9 | APE12-dist-in | 10.0249 | APE11-dist-in | 11.8023 | APE10-dist-in | 5.8551 | APE9-dist-in | 3.4127 | None | None | None | XRAY | 2.35 | 0.197 | 0.23 | A | 301.0 | 283.0 | 9 | 28 | 28 | 0 | [[270, 521]] | 1.0 | 4zy5 | 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 | 4ZY5B | Q13153 | 255 | 542 | 545.0 | 4T5:601 | Type1 | Inactive | DFGin | 7.6795 | 15.0252 | BLBplus | -144.24, -172.24 | 51.42, 58.7 | -146.64, 154.06 | 70.17, 94.16 | -108.49, 142.04 | out-out | out | 10.8855 | Saltbr-out | 11.5357 | HRD-in | -63.47, -50.88 | 76.11, -13.15 | out-out-out | SNCooo | out-out | ActLoopNT-out | 7.8509 | ActLoopCT-out | nonTYR | APEdihe_aaiio | APEdist_oooo | APE10-dihe-na | -108.68, 131.57 | APE9-dihe-na | 77.65, 153.4 | APE8-dihe-in | -96.17, 124.9 | APE8-rot-in | 292.58 | APE67-dihe-out | -64.89, -20.19 | -81.42, 68.34 | APE12-dist-out | 29.0146 | APE11-dist-out | 25.4808 | APE10-dist-out | 25.8671 | APE9-dist-out | 13.7708 | None | None | None | XRAY | 2.35 | 0.197 | 0.23 | B | 301.0 | 287.0 | 1 | 28 | 28 | 0 | [[270, 521]] | 1.0 | 4zy5 | 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 |
|---|