Ligand: IPW

Total number of chains: 2
Active chains: 0
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 1 50.0% 5KBRA
None None 1 50.0% 5KBRB
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 5KBRA Q13153 255 542 545.0 IPW:601 Type1 Inactive DFGin 5.8451 15.2779 BLAminus -141.56, -170.23 54.38, 91.67 -104.24, 18.58 293.46, 82.67 -60.59, -23.31 in-out in 9.9862 Saltbr-out 5.1442 HRD-in -67.2, -55.46 77.45, -3.44 out-in-in SNCoii in-in ActLoopNT-in 3.0089 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -129.48, 150.95 APE9-dihe-na 138.19, -160.73 APE8-dihe-in -111.57, 122.93 APE8-rot-in 303.63 APE67-dihe-in -61.71, -20.1 -36.06, -55.95 APE12-dist-in 9.4666 APE11-dist-in 11.7243 APE10-dist-in 5.7593 APE9-dist-in 3.3903 D389N,T423E,E503D None None XRAY 2.36 0.198 0.255 A 289.0 259.0 29 28 21 7 [[270, 521]] 1.0 5kbr STE_PAK1_HUMAN STE 6.1e-94 320.1 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 5KBRB Q13153 255 542 545.0 IPW:601 Type1 Inactive None 999.0 999.0 None -138.44, 162.05 51.69, 999.0 999.0, 999.0 999.0, 999.0 999.0, 999.0 out-out out 10.9284 Saltbr-out 9.3862 HRD-in -61.91, -54.34 77.67, -17.26 out-none-out SNCono none-out ActLoopNT-none 999.0 ActLoopCT-out nonTYR APEdihe_aaioo APEdist_nnno APE10-dihe-na -124.38, 97.95 APE9-dihe-na 107.79, 145.21 APE8-dihe-in -101.0, 124.94 APE8-rot-out 173.89 APE67-dihe-out -62.85, -25.62 -86.4, 70.14 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-none 999.0 APE9-dist-out 13.6839 D389N,T423E,E503D None None XRAY 2.36 0.198 0.255 B 289.0 260.0 28 28 17 11 [[270, 521]] 1.0 5kbr STE_PAK1_HUMAN STE 6.1e-94 320.1 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: IPW

Total number of chains: 2
Active chains: 0
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 1 50.0% 5KBRA
None None 1 50.0% 5KBRB
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 5KBRA Q13153 255 542 545.0 IPW:601 Type1 Inactive DFGin 5.8451 15.2779 BLAminus -141.56, -170.23 54.38, 91.67 -104.24, 18.58 293.46, 82.67 -60.59, -23.31 in-out in 9.9862 Saltbr-out 5.1442 HRD-in -67.2, -55.46 77.45, -3.44 out-in-in SNCoii in-in ActLoopNT-in 3.0089 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -129.48, 150.95 APE9-dihe-na 138.19, -160.73 APE8-dihe-in -111.57, 122.93 APE8-rot-in 303.63 APE67-dihe-in -61.71, -20.1 -36.06, -55.95 APE12-dist-in 9.4666 APE11-dist-in 11.7243 APE10-dist-in 5.7593 APE9-dist-in 3.3903 D389N,T423E,E503D None None XRAY 2.36 0.198 0.255 A 289.0 259.0 29 28 21 7 [[270, 521]] 1.0 5kbr Homo sapiens STE_PAK1_HUMAN STE 6.1e-94 320.1 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 5KBRB Q13153 255 542 545.0 IPW:601 Type1 Inactive None 999.0 999.0 None -138.44, 162.05 51.69, 999.0 999.0, 999.0 999.0, 999.0 999.0, 999.0 out-out out 10.9284 Saltbr-out 9.3862 HRD-in -61.91, -54.34 77.67, -17.26 out-none-out SNCono none-out ActLoopNT-none 999.0 ActLoopCT-out nonTYR APEdihe_aaioo APEdist_nnno APE10-dihe-na -124.38, 97.95 APE9-dihe-na 107.79, 145.21 APE8-dihe-in -101.0, 124.94 APE8-rot-out 173.89 APE67-dihe-out -62.85, -25.62 -86.4, 70.14 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-none 999.0 APE9-dist-out 13.6839 D389N,T423E,E503D None None XRAY 2.36 0.198 0.255 B 289.0 260.0 28 28 17 11 [[270, 521]] 1.0 5kbr Homo sapiens STE_PAK1_HUMAN STE 6.1e-94 320.1 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: IPW

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