| 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 | 4ZJJA | Q13153 | 249 | 539 | 545.0 | 4OR:601 | Type3 | Inactive | DFGout | 14.9295 | 7.8838 | BBAminus | -121.34, 171.37 | -136.52, 66.59 | -79.2, -3.71 | 291.13, 159.73 | -99.9, 1.22 | out-out | out | 12.0713 | Saltbr-out | 9.378 | HRD-in | -72.7, -51.01 | 69.62, -1.62 | out-out-out | SNCooo | out-out | ActLoopNT-out | 4.3275 | ActLoopCT-out | nonTYR | APEdihe_aaiii | APEdist_iioi | APE10-dihe-na | -108.73, 140.93 | APE9-dihe-na | 129.99, -160.2 | APE8-dihe-in | -123.0, 117.69 | APE8-rot-in | 310.93 | APE67-dihe-in | -52.25, -30.59 | -37.79, -59.06 | APE12-dist-in | 12.193 | APE11-dist-in | 13.862 | APE10-dist-out | 8.6079 | APE9-dist-in | 3.2961 | None | None | None | XRAY | 2.2 | 0.203 | 0.238 | A | 299.0 | 280.0 | 11 | 28 | 21 | 7 | [[270, 521]] | 1.0 | 4zjj | STE_PAK1_HUMAN | STE | 2.1e-95 | 324.9 | 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 | 4ZJJB | Q13153 | 251 | 539 | 545.0 | 4OR:601 | Type3 | Inactive | DFGout | 14.9484 | 7.9323 | BBAminus | -119.95, 170.64 | -136.17, 65.87 | -79.78, -2.78 | 291.31, 160.73 | -99.76, -0.39 | out-out | out | 12.019 | Saltbr-out | 9.3475 | HRD-in | -71.08, -50.26 | 68.41, 0.81 | out-out-out | SNCooo | out-out | ActLoopNT-out | 4.3061 | ActLoopCT-out | nonTYR | APEdihe_aaiii | APEdist_iioi | APE10-dihe-na | -110.29, 139.33 | APE9-dihe-na | 127.62, -164.58 | APE8-dihe-in | -118.42, 122.35 | APE8-rot-in | 307.66 | APE67-dihe-in | -57.94, -28.38 | -41.45, -53.66 | APE12-dist-in | 13.1154 | APE11-dist-in | 13.8409 | APE10-dist-out | 8.5599 | APE9-dist-in | 3.3218 | None | None | None | XRAY | 2.2 | 0.203 | 0.238 | B | 299.0 | 277.0 | 12 | 28 | 21 | 7 | [[270, 521]] | 1.0 | 4zjj | STE_PAK1_HUMAN | STE | 2.1e-95 | 324.9 | 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 | 4ZJJC | Q13153 | 251 | 542 | 545.0 | 4OR:601 | Type3 | Inactive | DFGout | 14.6875 | 7.965 | BBAminus | -117.77, 169.13 | -137.11, 67.47 | -83.74, 26.97 | 291.43, 162.22 | -146.25, 999.0 | out-none | out | 11.9219 | Saltbr-none | 999.0 | HRD-in | -69.95, -52.05 | 69.27, 1.3 | none-none-out | SNCnno | none-out | ActLoopNT-none | 999.0 | ActLoopCT-out | nonTYR | APEdihe_aaiii | APEdist_nnno | APE10-dihe-na | -119.64, 146.88 | APE9-dihe-na | -53.72, 136.85 | APE8-dihe-in | -114.06, 116.5 | APE8-rot-in | 303.53 | APE67-dihe-in | -106.18, 21.65 | -68.59, -18.4 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-none | 999.0 | APE9-dist-out | 8.3387 | None | None | None | XRAY | 2.2 | 0.203 | 0.238 | C | 299.0 | 276.0 | 16 | 28 | 21 | 7 | [[270, 521]] | 1.0 | 4zjj | STE_PAK1_HUMAN | STE | 2.1e-95 | 324.9 | 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 | 4ZJJD | Q13153 | 252 | 541 | 545.0 | 4OR:601 | Type3 | Inactive | DFGout | 13.746 | 8.3745 | BBAminus | -122.31, 164.62 | -155.38, 60.52 | -68.67, -25.53 | 302.03, 128.76 | -82.18, -4.05 | out-none | out | 11.4067 | Saltbr-none | 999.0 | HRD-in | -69.6, -54.19 | 71.18, 0.18 | none-none-out | SNCnno | none-out | ActLoopNT-none | 999.0 | ActLoopCT-out | nonTYR | APEdihe_aaiii | APEdist_oooo | APE10-dihe-na | -124.0, 135.82 | APE9-dihe-na | -50.29, 114.73 | APE8-dihe-in | -106.44, 108.75 | APE8-rot-in | 304.37 | APE67-dihe-in | -111.14, 19.03 | -62.05, -15.3 | APE12-dist-out | 16.2614 | APE11-dist-out | 16.5375 | APE10-dist-out | 10.957 | APE9-dist-out | 8.2416 | None | None | None | XRAY | 2.2 | 0.203 | 0.238 | D | 299.0 | 274.0 | 13 | 28 | 24 | 4 | [[270, 521]] | 1.0 | 4zjj | STE_PAK1_HUMAN | STE | 2.1e-95 | 324.9 | 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 | 4ZJJA | Q13153 | 249 | 539 | 545.0 | 4OR:601 | Type3 | Inactive | DFGout | 14.9295 | 7.8838 | BBAminus | -121.34, 171.37 | -136.52, 66.59 | -79.2, -3.71 | 291.13, 159.73 | -99.9, 1.22 | out-out | out | 12.0713 | Saltbr-out | 9.378 | HRD-in | -72.7, -51.01 | 69.62, -1.62 | out-out-out | SNCooo | out-out | ActLoopNT-out | 4.3275 | ActLoopCT-out | nonTYR | APEdihe_aaiii | APEdist_iioi | APE10-dihe-na | -108.73, 140.93 | APE9-dihe-na | 129.99, -160.2 | APE8-dihe-in | -123.0, 117.69 | APE8-rot-in | 310.93 | APE67-dihe-in | -52.25, -30.59 | -37.79, -59.06 | APE12-dist-in | 12.193 | APE11-dist-in | 13.862 | APE10-dist-out | 8.6079 | APE9-dist-in | 3.2961 | None | None | None | XRAY | 2.2 | 0.203 | 0.238 | A | 299.0 | 280.0 | 11 | 28 | 21 | 7 | [[270, 521]] | 1.0 | 4zjj | Homo sapiens | STE_PAK1_HUMAN | STE | 2.1e-95 | 324.9 | 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 | 4ZJJB | Q13153 | 251 | 539 | 545.0 | 4OR:601 | Type3 | Inactive | DFGout | 14.9484 | 7.9323 | BBAminus | -119.95, 170.64 | -136.17, 65.87 | -79.78, -2.78 | 291.31, 160.73 | -99.76, -0.39 | out-out | out | 12.019 | Saltbr-out | 9.3475 | HRD-in | -71.08, -50.26 | 68.41, 0.81 | out-out-out | SNCooo | out-out | ActLoopNT-out | 4.3061 | ActLoopCT-out | nonTYR | APEdihe_aaiii | APEdist_iioi | APE10-dihe-na | -110.29, 139.33 | APE9-dihe-na | 127.62, -164.58 | APE8-dihe-in | -118.42, 122.35 | APE8-rot-in | 307.66 | APE67-dihe-in | -57.94, -28.38 | -41.45, -53.66 | APE12-dist-in | 13.1154 | APE11-dist-in | 13.8409 | APE10-dist-out | 8.5599 | APE9-dist-in | 3.3218 | None | None | None | XRAY | 2.2 | 0.203 | 0.238 | B | 299.0 | 277.0 | 12 | 28 | 21 | 7 | [[270, 521]] | 1.0 | 4zjj | Homo sapiens | STE_PAK1_HUMAN | STE | 2.1e-95 | 324.9 | 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 | 4ZJJC | Q13153 | 251 | 542 | 545.0 | 4OR:601 | Type3 | Inactive | DFGout | 14.6875 | 7.965 | BBAminus | -117.77, 169.13 | -137.11, 67.47 | -83.74, 26.97 | 291.43, 162.22 | -146.25, 999.0 | out-none | out | 11.9219 | Saltbr-none | 999.0 | HRD-in | -69.95, -52.05 | 69.27, 1.3 | none-none-out | SNCnno | none-out | ActLoopNT-none | 999.0 | ActLoopCT-out | nonTYR | APEdihe_aaiii | APEdist_nnno | APE10-dihe-na | -119.64, 146.88 | APE9-dihe-na | -53.72, 136.85 | APE8-dihe-in | -114.06, 116.5 | APE8-rot-in | 303.53 | APE67-dihe-in | -106.18, 21.65 | -68.59, -18.4 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-none | 999.0 | APE9-dist-out | 8.3387 | None | None | None | XRAY | 2.2 | 0.203 | 0.238 | C | 299.0 | 276.0 | 16 | 28 | 21 | 7 | [[270, 521]] | 1.0 | 4zjj | Homo sapiens | STE_PAK1_HUMAN | STE | 2.1e-95 | 324.9 | 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 | 4ZJJD | Q13153 | 252 | 541 | 545.0 | 4OR:601 | Type3 | Inactive | DFGout | 13.746 | 8.3745 | BBAminus | -122.31, 164.62 | -155.38, 60.52 | -68.67, -25.53 | 302.03, 128.76 | -82.18, -4.05 | out-none | out | 11.4067 | Saltbr-none | 999.0 | HRD-in | -69.6, -54.19 | 71.18, 0.18 | none-none-out | SNCnno | none-out | ActLoopNT-none | 999.0 | ActLoopCT-out | nonTYR | APEdihe_aaiii | APEdist_oooo | APE10-dihe-na | -124.0, 135.82 | APE9-dihe-na | -50.29, 114.73 | APE8-dihe-in | -106.44, 108.75 | APE8-rot-in | 304.37 | APE67-dihe-in | -111.14, 19.03 | -62.05, -15.3 | APE12-dist-out | 16.2614 | APE11-dist-out | 16.5375 | APE10-dist-out | 10.957 | APE9-dist-out | 8.2416 | None | None | None | XRAY | 2.2 | 0.203 | 0.238 | D | 299.0 | 274.0 | 13 | 28 | 24 | 4 | [[270, 521]] | 1.0 | 4zjj | Homo sapiens | STE_PAK1_HUMAN | STE | 2.1e-95 | 324.9 | 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 |
|---|