Ligand: A1A2T

Total number of chains: 2
Active chains: 1
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 1 50.0% 9D50A
DFGinter None 1 50.0% 9D50B
All chains
Pymol session (all) Pymol script (all)
Representatives
Pymol session (repr) Pymol script (repr)
All chains - renumbered by
Uniprot PDB Alignment
Hover over column headers for tooltip help.

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 9D50A Q13153 250 544 545.0 A1A2T:601 Type1 Active DFGin 5.7332 14.7375 BLAminus -135.02, -174.3 73.6, 90.3 -97.95, 19.58 290.57, 84.04 -64.02, -18.57 in-in in 9.8727 Saltbr-in 3.5529 HRD-in -72.63, -54.55 76.45, -4.03 in-in-in SNCiii in-in ActLoopNT-in 2.8267 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -133.7, 145.81 APE9-dihe-na 142.12, -167.08 APE8-dihe-in -113.74, 119.8 APE8-rot-in 307.1 APE67-dihe-in -62.15, -25.86 -42.33, -49.55 APE12-dist-in 8.8839 APE11-dist-in 11.7027 APE10-dist-in 5.8604 APE9-dist-in 3.5374 D389N,T423E None None XRAY 1.898 0.186 0.23 A 296.0 295.0 0 28 28 0 [[270, 521]] 1.0 9d50 STE_PAK1_HUMAN STE 3.3e-94 321.0 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 9D50B Q13153 253 542 545.0 A1A2T:601 Type1 Inactive DFGinter 7.2077 7.932 None -130.13, 169.98 -108.02, 0.22 -119.5, 17.11 301.73, 104.49 -81.4, -34.77 in-out in 9.9869 Saltbr-out 5.3521 HRD-in -71.88, -57.66 86.42, -21.48 out-none-out SNCono none-out ActLoopNT-none 999.0 ActLoopCT-out nonTYR APEdihe_aaiio APEdist_oooo APE10-dihe-na -63.89, -52.65 APE9-dihe-na -113.94, 174.61 APE8-dihe-in -89.03, 125.57 APE8-rot-in 304.08 APE67-dihe-out -69.25, -19.69 -82.71, 72.13 APE12-dist-out 20.154 APE11-dist-out 16.2642 APE10-dist-out 13.821 APE9-dist-out 13.7033 D389N,T423E None None XRAY 1.898 0.186 0.23 B 296.0 275.0 15 28 20 8 [[270, 521]] 1.0 9d50 STE_PAK1_HUMAN STE 3.3e-94 321.0 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

Ligand: A1A2T

Total number of chains: 2
Active chains: 1
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 1 50.0% 9D50A
DFGinter None 1 50.0% 9D50B
All chains
Pymol session (all) Pymol script (all)
Representatives
Pymol session (repr) Pymol script (repr)
All chains - renumbered by
Uniprot PDB Alignment
Hover over column headers for tooltip help.

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 9D50A Q13153 250 544 545.0 A1A2T:601 Type1 Active DFGin 5.7332 14.7375 BLAminus -135.02, -174.3 73.6, 90.3 -97.95, 19.58 290.57, 84.04 -64.02, -18.57 in-in in 9.8727 Saltbr-in 3.5529 HRD-in -72.63, -54.55 76.45, -4.03 in-in-in SNCiii in-in ActLoopNT-in 2.8267 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -133.7, 145.81 APE9-dihe-na 142.12, -167.08 APE8-dihe-in -113.74, 119.8 APE8-rot-in 307.1 APE67-dihe-in -62.15, -25.86 -42.33, -49.55 APE12-dist-in 8.8839 APE11-dist-in 11.7027 APE10-dist-in 5.8604 APE9-dist-in 3.5374 D389N,T423E None None XRAY 1.898 0.186 0.23 A 296.0 295.0 0 28 28 0 [[270, 521]] 1.0 9d50 Homo sapiens STE_PAK1_HUMAN STE 3.3e-94 321.0 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 9D50B Q13153 253 542 545.0 A1A2T:601 Type1 Inactive DFGinter 7.2077 7.932 None -130.13, 169.98 -108.02, 0.22 -119.5, 17.11 301.73, 104.49 -81.4, -34.77 in-out in 9.9869 Saltbr-out 5.3521 HRD-in -71.88, -57.66 86.42, -21.48 out-none-out SNCono none-out ActLoopNT-none 999.0 ActLoopCT-out nonTYR APEdihe_aaiio APEdist_oooo APE10-dihe-na -63.89, -52.65 APE9-dihe-na -113.94, 174.61 APE8-dihe-in -89.03, 125.57 APE8-rot-in 304.08 APE67-dihe-out -69.25, -19.69 -82.71, 72.13 APE12-dist-out 20.154 APE11-dist-out 16.2642 APE10-dist-out 13.821 APE9-dist-out 13.7033 D389N,T423E None None XRAY 1.898 0.186 0.23 B 296.0 275.0 15 28 20 8 [[270, 521]] 1.0 9d50 Homo sapiens STE_PAK1_HUMAN STE 3.3e-94 321.0 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

Ligand: A1A2T

Total number of chains: 0
Active chains: 0
Total number of genes: 0
Spatial label Dihedral label Number of Chains Percent Representative
All chains
Pymol session (all) Pymol script (all)
Representatives
Pymol session (repr) Pymol script (repr)
All chains - renumbered by
Uniprot PDB Alignment
Hover over column headers for tooltip help.

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