Ligand: A1BV1

Total number of chains: 2
Active chains: 0
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGin ABAminus 1 50.0% 9N48B
DFGin BLAminus 1 50.0% 9N48A
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 9N48B Q13153 255 542 545.0 A1BV1:601 Type1 Inactive DFGin 4.4498 17.128 ABAminus -74.64, -30.54 -153.89, -166.79 -83.91, 13.42 283.21, 22.49 93.29, 4.73 out-out out 11.7992 Saltbr-out 9.0357 HRD-in -71.32, -51.06 78.31, -10.52 out-none-out SNCono none-out ActLoopNT-none 999.0 ActLoopCT-out nonTYR APEdihe_aaiio APEdist_oooo APE10-dihe-na -102.96, -45.99 APE9-dihe-na -99.99, 172.81 APE8-dihe-in -106.9, 118.06 APE8-rot-in 300.85 APE67-dihe-out -63.98, -17.98 -77.1, 63.5 APE12-dist-out 24.2691 APE11-dist-out 21.4418 APE10-dist-out 21.2128 APE9-dist-out 13.8265 None None None XRAY 1.85 0.178 0.216 B 537.0 280.0 8 28 20 8 [[270, 521]] 1.0 9n48 STE_PAK1_HUMAN STE 1.9e-93 318.6 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 9N48A Q13153 249 545 545.0 A1BV1:601 Type1 Inactive DFGin 7.0151 16.5986 BLAminus -135.95, -177.59 61.6, 57.45 -78.34, 12.84 284.63, 68.17 -72.62, -8.8 out-out out 10.8096 Saltbr-out 5.959 HRD-in -72.26, -48.39 72.35, -5.11 out-in-in SNCoii in-in ActLoopNT-in 2.8036 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -109.15, 133.37 APE9-dihe-na 142.65, -172.87 APE8-dihe-in -105.6, 125.23 APE8-rot-in 302.08 APE67-dihe-in -64.07, -24.08 -46.56, -49.65 APE12-dist-in 9.9436 APE11-dist-in 11.8528 APE10-dist-in 6.0304 APE9-dist-in 3.5281 None None None XRAY 1.85 0.178 0.216 A 537.0 297.0 0 28 28 0 [[270, 521]] 1.0 9n48 STE_PAK1_HUMAN STE 1.9e-93 318.6 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: A1BV1

Total number of chains: 2
Active chains: 0
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGin ABAminus 1 50.0% 9N48B
DFGin BLAminus 1 50.0% 9N48A
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 9N48B Q13153 255 542 545.0 A1BV1:601 Type1 Inactive DFGin 4.4498 17.128 ABAminus -74.64, -30.54 -153.89, -166.79 -83.91, 13.42 283.21, 22.49 93.29, 4.73 out-out out 11.7992 Saltbr-out 9.0357 HRD-in -71.32, -51.06 78.31, -10.52 out-none-out SNCono none-out ActLoopNT-none 999.0 ActLoopCT-out nonTYR APEdihe_aaiio APEdist_oooo APE10-dihe-na -102.96, -45.99 APE9-dihe-na -99.99, 172.81 APE8-dihe-in -106.9, 118.06 APE8-rot-in 300.85 APE67-dihe-out -63.98, -17.98 -77.1, 63.5 APE12-dist-out 24.2691 APE11-dist-out 21.4418 APE10-dist-out 21.2128 APE9-dist-out 13.8265 None None None XRAY 1.85 0.178 0.216 B 537.0 280.0 8 28 20 8 [[270, 521]] 1.0 9n48 Homo sapiens STE_PAK1_HUMAN STE 1.9e-93 318.6 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 9N48A Q13153 249 545 545.0 A1BV1:601 Type1 Inactive DFGin 7.0151 16.5986 BLAminus -135.95, -177.59 61.6, 57.45 -78.34, 12.84 284.63, 68.17 -72.62, -8.8 out-out out 10.8096 Saltbr-out 5.959 HRD-in -72.26, -48.39 72.35, -5.11 out-in-in SNCoii in-in ActLoopNT-in 2.8036 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -109.15, 133.37 APE9-dihe-na 142.65, -172.87 APE8-dihe-in -105.6, 125.23 APE8-rot-in 302.08 APE67-dihe-in -64.07, -24.08 -46.56, -49.65 APE12-dist-in 9.9436 APE11-dist-in 11.8528 APE10-dist-in 6.0304 APE9-dist-in 3.5281 None None None XRAY 1.85 0.178 0.216 A 537.0 297.0 0 28 28 0 [[270, 521]] 1.0 9n48 Homo sapiens STE_PAK1_HUMAN STE 1.9e-93 318.6 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: A1BV1

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