| 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 | PAK2 | PAK2_HUMAN | 9M41A | Q13177 | 85 | 520 | 524.0 | No_ligand | No_ligand | Inactive | DFGout | 12.6843 | 9.0142 | BBAminus | -125.12, 135.19 | -131.33, 83.56 | -80.02, -27.51 | 287.94, 159.18 | -71.75, -11.49 | out-none | out | 11.1819 | Saltbr-none | 999.0 | HRD-in | -73.25, -40.38 | 68.65, -7.58 | none-out-out | SNCnoo | out-out | ActLoopNT-out | 4.847 | ActLoopCT-out | nonTYR | APEdihe_aaiio | APEdist_oooo | APE10-dihe-na | -90.46, 3.09 | APE9-dihe-na | 125.79, -159.31 | APE8-dihe-in | -79.99, 115.22 | APE8-rot-in | 285.02 | APE67-dihe-out | -64.36, -25.19 | -89.83, 65.97 | APE12-dist-out | 16.0864 | APE11-dist-out | 15.2925 | APE10-dist-out | 11.2605 | APE9-dist-out | 11.4899 | K278R,D368N | None | None | XRAY | 3.02 | 0.206 | 0.244 | A | 547.0 | 340.0 | 4 | 28 | 24 | 4 | [[249, 500]] | 1.0 | 9m41 | STE_PAK2_HUMAN | STE | 2.1e-91 | 312.3 | 1.0 | 257.0 | 257.0 | 385 | 386 | 387 | 389 | 391 | 278 | 294 | 298 | 365 | 367 | 366 | 368.0 | 425 | 413 | 408 | 407 | 406 | 405 | 404 | 403 | 402 | 324 | Serine/threonine-protein kinase PAK 2 |
| STE | PAK2 | PAK2_HUMAN | 9M41B | Q13177 | 83 | 521 | 524.0 | No_ligand | No_ligand | Inactive | DFGout | 14.6841 | 8.8721 | None | -119.07, 158.3 | -116.1, 82.98 | -67.22, 153.05 | 292.21, 125.16 | 75.02, -7.43 | out-none | out | 12.0054 | Saltbr-none | 999.0 | HRD-in | -63.31, -45.58 | 68.96, -6.32 | none-out-out | SNCnoo | out-out | ActLoopNT-out | 4.7448 | ActLoopCT-out | nonTYR | APEdihe_aaiio | APEdist_nnno | APE10-dihe-na | 999.0, 999.0 | APE9-dihe-na | 999.0, -164.74 | APE8-dihe-in | -105.73, 116.09 | APE8-rot-in | 316.87 | APE67-dihe-out | -63.1, -27.55 | -87.37, 73.37 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-none | 999.0 | APE9-dist-out | 12.4544 | K278R,D368N | None | None | XRAY | 3.02 | 0.206 | 0.244 | B | 547.0 | 342.0 | 7 | 28 | 21 | 7 | [[249, 500]] | 1.0 | 9m41 | STE_PAK2_HUMAN | STE | 2.1e-91 | 312.3 | 1.0 | 257.0 | 257.0 | 385 | 386 | 387 | 389 | 391 | 278 | 294 | 298 | 365 | 367 | 366 | 368.0 | 425 | 413 | 408 | 407 | 406 | 405 | 404 | 403 | 402 | 324 | Serine/threonine-protein kinase PAK 2 |
| 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 | PAK2 | PAK2_HUMAN | 9M41A | Q13177 | 85 | 520 | 524.0 | No_ligand | No_ligand | Inactive | DFGout | 12.6843 | 9.0142 | BBAminus | -125.12, 135.19 | -131.33, 83.56 | -80.02, -27.51 | 287.94, 159.18 | -71.75, -11.49 | out-none | out | 11.1819 | Saltbr-none | 999.0 | HRD-in | -73.25, -40.38 | 68.65, -7.58 | none-out-out | SNCnoo | out-out | ActLoopNT-out | 4.847 | ActLoopCT-out | nonTYR | APEdihe_aaiio | APEdist_oooo | APE10-dihe-na | -90.46, 3.09 | APE9-dihe-na | 125.79, -159.31 | APE8-dihe-in | -79.99, 115.22 | APE8-rot-in | 285.02 | APE67-dihe-out | -64.36, -25.19 | -89.83, 65.97 | APE12-dist-out | 16.0864 | APE11-dist-out | 15.2925 | APE10-dist-out | 11.2605 | APE9-dist-out | 11.4899 | K278R,D368N | None | None | XRAY | 3.02 | 0.206 | 0.244 | A | 547.0 | 340.0 | 4 | 28 | 24 | 4 | [[249, 500]] | 1.0 | 9m41 | Homo sapiens | STE_PAK2_HUMAN | STE | 2.1e-91 | 312.3 | 1.0 | 257.0 | 257.0 | 385 | 386 | 387 | 389 | 391 | 278 | 294 | 298 | 365 | 367 | 366 | 368.0 | 425 | 413 | 408 | 407 | 406 | 405 | 404 | 403 | 402 | 324 | Serine/threonine-protein kinase PAK 2 |
| STE | PAK2 | PAK2_HUMAN | 9M41B | Q13177 | 83 | 521 | 524.0 | No_ligand | No_ligand | Inactive | DFGout | 14.6841 | 8.8721 | None | -119.07, 158.3 | -116.1, 82.98 | -67.22, 153.05 | 292.21, 125.16 | 75.02, -7.43 | out-none | out | 12.0054 | Saltbr-none | 999.0 | HRD-in | -63.31, -45.58 | 68.96, -6.32 | none-out-out | SNCnoo | out-out | ActLoopNT-out | 4.7448 | ActLoopCT-out | nonTYR | APEdihe_aaiio | APEdist_nnno | APE10-dihe-na | 999.0, 999.0 | APE9-dihe-na | 999.0, -164.74 | APE8-dihe-in | -105.73, 116.09 | APE8-rot-in | 316.87 | APE67-dihe-out | -63.1, -27.55 | -87.37, 73.37 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-none | 999.0 | APE9-dist-out | 12.4544 | K278R,D368N | None | None | XRAY | 3.02 | 0.206 | 0.244 | B | 547.0 | 342.0 | 7 | 28 | 21 | 7 | [[249, 500]] | 1.0 | 9m41 | Homo sapiens | STE_PAK2_HUMAN | STE | 2.1e-91 | 312.3 | 1.0 | 257.0 | 257.0 | 385 | 386 | 387 | 389 | 391 | 278 | 294 | 298 | 365 | 367 | 366 | 368.0 | 425 | 413 | 408 | 407 | 406 | 405 | 404 | 403 | 402 | 324 | Serine/threonine-protein kinase PAK 2 |
| 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 |
|---|