| 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 | PAK5 | PAK5_HUMAN | 2F57A | Q9P286 | 425 | 715 | 719.0 | No_ligand | No_ligand | None | DFGin | 7.5162 | 15.9615 | BLAminus | -132.24, -179.07 | 54.47, 81.52 | -94.01, 25.23 | 285.2, 72.28 | -59.96, -25.16 | out-none | out | 11.0795 | Saltbr-none | 999.0 | HRD-in | -72.74, -45.03 | 70.4, -1.95 | none-in-in | SNCnii | in-in | ActLoopNT-in | 2.7743 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -137.46, 142.22 | APE9-dihe-na | 144.01, -171.13 | APE8-dihe-in | -106.28, 111.65 | APE8-rot-in | 305.86 | APE67-dihe-in | -64.34, -20.12 | -23.16, -62.0 | APE12-dist-in | 9.0751 | APE11-dist-in | 11.4525 | APE10-dist-in | 5.6105 | APE9-dist-in | 3.7521 | None | SEP602 | SEP602 | XRAY | 1.8 | 0.155 | 0.185 | A | 317.0 | 291.0 | 0 | 28 | 28 | 0 | [[449, 700]] | 1.0 | 2f57 | STE_PAK5_HUMAN | STE | 7.8e-89 | 303.4 | 5.0 | 257.0 | 253.0 | 585 | 586 | 587 | 589 | 591 | 478 | 494 | 498 | 565 | 567 | 566 | 568.0 | 625 | 613 | 608 | 607 | 606 | 605 | 604 | 603 | 602 | 524 | Serine/threonine-protein kinase PAK 5 |
| STE | PAK5 | PAK5_HUMAN | 2F57B | Q9P286 | 425 | 718 | 719.0 | 23D:60001 | Type1 | Active | DFGin | 7.1469 | 15.1589 | BLAminus | -130.03, -174.06 | 58.73, 69.39 | -94.87, 19.1 | 283.86, 78.72 | -55.48, -32.98 | in-in | in | 8.3251 | Saltbr-in | 2.7388 | HRD-in | -71.01, -50.04 | 72.02, 1.25 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.8665 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -139.95, 140.47 | APE9-dihe-na | 141.83, -168.91 | APE8-dihe-in | -111.96, 119.79 | APE8-rot-in | 303.61 | APE67-dihe-in | -66.26, -20.96 | -34.19, -58.65 | APE12-dist-in | 8.9129 | APE11-dist-in | 11.471 | APE10-dist-in | 5.6822 | APE9-dist-in | 3.4059 | None | SEP602 | SEP602 | XRAY | 1.8 | 0.155 | 0.185 | B | 317.0 | 294.0 | 0 | 28 | 28 | 0 | [[449, 700]] | 1.0 | 2f57 | STE_PAK5_HUMAN | STE | 7.8e-89 | 303.4 | 5.0 | 257.0 | 253.0 | 585 | 586 | 587 | 589 | 591 | 478 | 494 | 498 | 565 | 567 | 566 | 568.0 | 625 | 613 | 608 | 607 | 606 | 605 | 604 | 603 | 602 | 524 | Serine/threonine-protein kinase PAK 5 |
| 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 | PAK5 | PAK5_HUMAN | 2F57A | Q9P286 | 425 | 715 | 719.0 | No_ligand | No_ligand | None | DFGin | 7.5162 | 15.9615 | BLAminus | -132.24, -179.07 | 54.47, 81.52 | -94.01, 25.23 | 285.2, 72.28 | -59.96, -25.16 | out-none | out | 11.0795 | Saltbr-none | 999.0 | HRD-in | -72.74, -45.03 | 70.4, -1.95 | none-in-in | SNCnii | in-in | ActLoopNT-in | 2.7743 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -137.46, 142.22 | APE9-dihe-na | 144.01, -171.13 | APE8-dihe-in | -106.28, 111.65 | APE8-rot-in | 305.86 | APE67-dihe-in | -64.34, -20.12 | -23.16, -62.0 | APE12-dist-in | 9.0751 | APE11-dist-in | 11.4525 | APE10-dist-in | 5.6105 | APE9-dist-in | 3.7521 | None | SEP602 | SEP602 | XRAY | 1.8 | 0.155 | 0.185 | A | 317.0 | 291.0 | 0 | 28 | 28 | 0 | [[449, 700]] | 1.0 | 2f57 | Homo sapiens | STE_PAK5_HUMAN | STE | 7.8e-89 | 303.4 | 5.0 | 257.0 | 253.0 | 585 | 586 | 587 | 589 | 591 | 478 | 494 | 498 | 565 | 567 | 566 | 568.0 | 625 | 613 | 608 | 607 | 606 | 605 | 604 | 603 | 602 | 524 | Serine/threonine-protein kinase PAK 5 |
| STE | PAK5 | PAK5_HUMAN | 2F57B | Q9P286 | 425 | 718 | 719.0 | 23D:60001 | Type1 | Active | DFGin | 7.1469 | 15.1589 | BLAminus | -130.03, -174.06 | 58.73, 69.39 | -94.87, 19.1 | 283.86, 78.72 | -55.48, -32.98 | in-in | in | 8.3251 | Saltbr-in | 2.7388 | HRD-in | -71.01, -50.04 | 72.02, 1.25 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.8665 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -139.95, 140.47 | APE9-dihe-na | 141.83, -168.91 | APE8-dihe-in | -111.96, 119.79 | APE8-rot-in | 303.61 | APE67-dihe-in | -66.26, -20.96 | -34.19, -58.65 | APE12-dist-in | 8.9129 | APE11-dist-in | 11.471 | APE10-dist-in | 5.6822 | APE9-dist-in | 3.4059 | None | SEP602 | SEP602 | XRAY | 1.8 | 0.155 | 0.185 | B | 317.0 | 294.0 | 0 | 28 | 28 | 0 | [[449, 700]] | 1.0 | 2f57 | Homo sapiens | STE_PAK5_HUMAN | STE | 7.8e-89 | 303.4 | 5.0 | 257.0 | 253.0 | 585 | 586 | 587 | 589 | 591 | 478 | 494 | 498 | 565 | 567 | 566 | 568.0 | 625 | 613 | 608 | 607 | 606 | 605 | 604 | 603 | 602 | 524 | Serine/threonine-protein kinase PAK 5 |
| 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 |
|---|