| 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 | 7VTOA | Q13153 | 257 | 542 | 545.0 | 107:601 | Type1 | Inactive | DFGin | 5.6953 | 15.5161 | BLAminus | -150.06, -169.04 | 64.25, 76.91 | -94.49, 2.41 | 282.74, 87.53 | -51.44, -17.63 | out-out | out | 10.4202 | Saltbr-out | 4.1052 | HRD-in | -66.76, -52.58 | 74.83, -0.29 | out-in-in | SNCoii | in-in | ActLoopNT-in | 2.8565 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -121.53, 147.59 | APE9-dihe-na | 131.15, -166.18 | APE8-dihe-in | -109.47, 125.5 | APE8-rot-in | 316.89 | APE67-dihe-in | -64.02, -24.5 | -46.56, -50.85 | APE12-dist-in | 9.6205 | APE11-dist-in | 11.8829 | APE10-dist-in | 6.0296 | APE9-dist-in | 3.5852 | None | TPO423 | TPO423 | XRAY | 2.59 | 0.236 | 0.252 | A | 301.0 | 262.0 | 16 | 28 | 28 | 0 | [[270, 521]] | 1.0 | 7vto | 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 | 7VTOB | Q13153 | 255 | 542 | 545.0 | 107:601 | Type1 | Inactive | DFGin | 7.5191 | 14.7279 | None | -159.98, 174.54 | 62.98, 54.4 | -135.2, 999.0 | 55.36, 102.9 | 999.0, 999.0 | out-out | out | 11.3279 | Saltbr-out | 10.0201 | HRD-in | -69.73, -51.99 | 75.23, -8.22 | out-none-out | SNCono | none-out | ActLoopNT-none | 999.0 | ActLoopCT-out | nonTYR | APEdihe_aaooi | APEdist_nnno | APE10-dihe-na | -62.21, -39.34 | APE9-dihe-na | 160.98, -155.85 | APE8-dihe-out | 82.87, 12.18 | APE8-rot-out | 62.27 | APE67-dihe-in | -60.81, -30.13 | -80.78, 2.08 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-none | 999.0 | APE9-dist-out | 12.6877 | None | TPO423 | TPO423 | XRAY | 2.59 | 0.236 | 0.252 | B | 301.0 | 278.0 | 10 | 28 | 18 | 10 | [[270, 521]] | 1.0 | 7vto | 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 | 7VTOA | Q13153 | 257 | 542 | 545.0 | 107:601 | Type1 | Inactive | DFGin | 5.6953 | 15.5161 | BLAminus | -150.06, -169.04 | 64.25, 76.91 | -94.49, 2.41 | 282.74, 87.53 | -51.44, -17.63 | out-out | out | 10.4202 | Saltbr-out | 4.1052 | HRD-in | -66.76, -52.58 | 74.83, -0.29 | out-in-in | SNCoii | in-in | ActLoopNT-in | 2.8565 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -121.53, 147.59 | APE9-dihe-na | 131.15, -166.18 | APE8-dihe-in | -109.47, 125.5 | APE8-rot-in | 316.89 | APE67-dihe-in | -64.02, -24.5 | -46.56, -50.85 | APE12-dist-in | 9.6205 | APE11-dist-in | 11.8829 | APE10-dist-in | 6.0296 | APE9-dist-in | 3.5852 | None | TPO423 | TPO423 | XRAY | 2.59 | 0.236 | 0.252 | A | 301.0 | 262.0 | 16 | 28 | 28 | 0 | [[270, 521]] | 1.0 | 7vto | 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 | 7VTOB | Q13153 | 255 | 542 | 545.0 | 107:601 | Type1 | Inactive | DFGin | 7.5191 | 14.7279 | None | -159.98, 174.54 | 62.98, 54.4 | -135.2, 999.0 | 55.36, 102.9 | 999.0, 999.0 | out-out | out | 11.3279 | Saltbr-out | 10.0201 | HRD-in | -69.73, -51.99 | 75.23, -8.22 | out-none-out | SNCono | none-out | ActLoopNT-none | 999.0 | ActLoopCT-out | nonTYR | APEdihe_aaooi | APEdist_nnno | APE10-dihe-na | -62.21, -39.34 | APE9-dihe-na | 160.98, -155.85 | APE8-dihe-out | 82.87, 12.18 | APE8-rot-out | 62.27 | APE67-dihe-in | -60.81, -30.13 | -80.78, 2.08 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-none | 999.0 | APE9-dist-out | 12.6877 | None | TPO423 | TPO423 | XRAY | 2.59 | 0.236 | 0.252 | B | 301.0 | 278.0 | 10 | 28 | 18 | 10 | [[270, 521]] | 1.0 | 7vto | 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 |
|---|