Ligand: A1BV8

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% 9N4UA
DFGin BLAplus 1 50.0% 9N4UB
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 9N4UA Q13153 249 545 545.0 A1BV8:60601 Type1.5_Back Inactive DFGin 6.7973 16.6336 BLAminus -132.3, -163.8 51.83, 62.43 -86.1, 16.43 283.09, 74.97 -63.31, -22.24 out-out out 10.718 Saltbr-out 5.301 HRD-in -71.65, -48.08 68.24, 0.25 out-in-in SNCoii in-in ActLoopNT-in 2.8108 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -119.99, 134.76 APE9-dihe-na 139.96, -165.05 APE8-dihe-in -112.44, 124.86 APE8-rot-in 303.37 APE67-dihe-in -62.31, -25.25 -45.29, -50.87 APE12-dist-in 10.316 APE11-dist-in 11.7987 APE10-dist-in 5.9663 APE9-dist-in 3.515 None None None XRAY 1.77 0.175 0.203 A 537.0 297.0 0 28 28 0 [[270, 521]] 1.0 9n4u 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 9N4UB Q13153 255 542 545.0 A1BV8:60601 Type1 Inactive DFGin 7.1437 15.1485 BLAplus -140.51, -179.41 61.35, 47.51 -104.61, 43.01 23.15, 125.49 -130.59, 999.0 out-out out 12.0494 Saltbr-out 8.2598 HRD-in -71.36, -51.57 79.45, -11.85 out-none-out SNCono none-out ActLoopNT-none 999.0 ActLoopCT-out nonTYR APEdihe_aaiio APEdist_nnno APE10-dihe-na -96.5, -43.08 APE9-dihe-na -100.25, 162.07 APE8-dihe-in -96.38, 120.34 APE8-rot-in 300.67 APE67-dihe-out -64.8, -18.65 -82.44, 60.69 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-none 999.0 APE9-dist-out 13.3866 None None None XRAY 1.77 0.175 0.203 B 537.0 281.0 7 28 21 7 [[270, 521]] 1.0 9n4u 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: A1BV8

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% 9N4UA
DFGin BLAplus 1 50.0% 9N4UB
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 9N4UA Q13153 249 545 545.0 A1BV8:60601 Type1.5_Back Inactive DFGin 6.7973 16.6336 BLAminus -132.3, -163.8 51.83, 62.43 -86.1, 16.43 283.09, 74.97 -63.31, -22.24 out-out out 10.718 Saltbr-out 5.301 HRD-in -71.65, -48.08 68.24, 0.25 out-in-in SNCoii in-in ActLoopNT-in 2.8108 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -119.99, 134.76 APE9-dihe-na 139.96, -165.05 APE8-dihe-in -112.44, 124.86 APE8-rot-in 303.37 APE67-dihe-in -62.31, -25.25 -45.29, -50.87 APE12-dist-in 10.316 APE11-dist-in 11.7987 APE10-dist-in 5.9663 APE9-dist-in 3.515 None None None XRAY 1.77 0.175 0.203 A 537.0 297.0 0 28 28 0 [[270, 521]] 1.0 9n4u 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 9N4UB Q13153 255 542 545.0 A1BV8:60601 Type1 Inactive DFGin 7.1437 15.1485 BLAplus -140.51, -179.41 61.35, 47.51 -104.61, 43.01 23.15, 125.49 -130.59, 999.0 out-out out 12.0494 Saltbr-out 8.2598 HRD-in -71.36, -51.57 79.45, -11.85 out-none-out SNCono none-out ActLoopNT-none 999.0 ActLoopCT-out nonTYR APEdihe_aaiio APEdist_nnno APE10-dihe-na -96.5, -43.08 APE9-dihe-na -100.25, 162.07 APE8-dihe-in -96.38, 120.34 APE8-rot-in 300.67 APE67-dihe-out -64.8, -18.65 -82.44, 60.69 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-none 999.0 APE9-dist-out 13.3866 None None None XRAY 1.77 0.175 0.203 B 537.0 281.0 7 28 21 7 [[270, 521]] 1.0 9n4u 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: A1BV8

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