Ligand: A1A2Q

Total number of chains: 4
Active chains: 0
Total number of genes: 2
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 2 50.0% 9D4WA
DFGin BLBplus 2 50.0% 9D51B
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 9D4WA Q13153 252 544 545.0 A1A2Q:601 Type1 Inactive DFGin 6.2927 14.4187 BLAminus -137.96, 179.63 63.76, 76.02 -94.03, 19.4 285.04, 79.16 -66.47, -23.4 in-out in 9.6318 Saltbr-out 4.2561 HRD-in -74.55, -52.59 77.73, -4.03 out-in-in SNCoii in-in ActLoopNT-in 2.8978 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -121.02, 139.13 APE9-dihe-na 146.8, -160.32 APE8-dihe-in -112.69, 127.38 APE8-rot-in 312.39 APE67-dihe-in -64.8, -22.82 -49.61, -48.03 APE12-dist-in 8.8864 APE11-dist-in 11.8048 APE10-dist-in 6.0332 APE9-dist-in 3.6466 D389N,T423E None None XRAY 2.218 0.183 0.232 A 297.0 293.0 0 28 28 0 [[270, 521]] 1.0 9d4w 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 9D4WB Q13153 257 545 545.0 A1A2Q:601 Type1 Inactive DFGin 7.0786 14.217 BLBplus -160.39, -174.69 65.11, 52.23 -131.3, 155.27 46.64, 110.39 -110.39, 999.0 out-none out 11.2325 Saltbr-none 999.0 HRD-in -70.39, -56.69 81.1, -16.91 none-none-out SNCnno none-out ActLoopNT-none 999.0 ActLoopCT-out nonTYR APEdihe_aaiio APEdist_nnno APE10-dihe-na -88.9, -54.41 APE9-dihe-na -102.73, 164.75 APE8-dihe-in -84.58, 125.67 APE8-rot-in 293.16 APE67-dihe-out -69.4, -22.65 -86.39, 72.55 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-none 999.0 APE9-dist-out 13.5779 D389N,T423E None None XRAY 2.218 0.183 0.232 B 297.0 283.0 6 28 22 6 [[270, 521]] 1.0 9d4w 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 PAK2 PAK2_HUMAN 9D51A Q13177 230 523 524.0 A1A2Q:601 Type1 Inactive DFGin 6.8219 14.5788 BLAminus -155.68, -177.12 53.06, 83.32 -103.92, 22.39 298.47, 78.95 -74.5, -13.78 in-out in 9.8522 Saltbr-out 4.8692 HRD-in -82.04, -50.53 71.3, -6.01 out-in-in SNCoii in-in ActLoopNT-in 2.7358 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -111.33, 143.33 APE9-dihe-na 133.67, -179.52 APE8-dihe-in -102.94, 126.72 APE8-rot-in 307.45 APE67-dihe-in -60.66, -27.49 -40.35, -53.95 APE12-dist-in 10.2321 APE11-dist-in 12.0439 APE10-dist-in 6.4214 APE9-dist-in 3.3192 D368N,T402E,P498Q,M514A None None XRAY 2.1 0.215 0.285 A 297.0 289.0 5 28 23 5 [[249, 500]] 1.0 9d51 STE_PAK2_HUMAN STE 2.5e-92 314.8 1.0 257.0 257.0 385 386 387 389 391 278 294 298 365 367 366 368.0 425 413 408 407 406 405 404 403 402 324 Serine/threonine-protein kinase PAK 2
STE PAK2 PAK2_HUMAN 9D51B Q13177 231 522 524.0 A1A2Q:601 Type1 Inactive DFGin 7.4627 14.6272 BLBplus -148.89, 171.4 55.47, 51.12 -127.9, 150.94 47.62, 98.01 -123.17, -151.45 out-out out 12.7071 Saltbr-out 7.4493 HRD-in -83.39, -45.71 84.58, -20.71 out-none-out SNCono none-out ActLoopNT-none 999.0 ActLoopCT-out nonTYR APEdihe_aaiio APEdist_oooo APE10-dihe-na -102.48, -50.47 APE9-dihe-na -87.43, 155.09 APE8-dihe-in -94.3, 130.54 APE8-rot-in 291.03 APE67-dihe-out -70.68, -23.25 -91.81, 72.44 APE12-dist-out 25.9945 APE11-dist-out 22.8678 APE10-dist-out 24.1234 APE9-dist-out 13.675 D368N,T402E,P498Q,M514A None None XRAY 2.1 0.215 0.285 B 297.0 288.0 4 28 24 4 [[249, 500]] 1.0 9d51 STE_PAK2_HUMAN STE 2.5e-92 314.8 1.0 257.0 257.0 385 386 387 389 391 278 294 298 365 367 366 368.0 425 413 408 407 406 405 404 403 402 324 Serine/threonine-protein kinase PAK 2

Ligand: A1A2Q

Total number of chains: 4
Active chains: 0
Total number of genes: 2
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 2 50.0% 9D4WA
DFGin BLBplus 2 50.0% 9D51B
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 9D4WA Q13153 252 544 545.0 A1A2Q:601 Type1 Inactive DFGin 6.2927 14.4187 BLAminus -137.96, 179.63 63.76, 76.02 -94.03, 19.4 285.04, 79.16 -66.47, -23.4 in-out in 9.6318 Saltbr-out 4.2561 HRD-in -74.55, -52.59 77.73, -4.03 out-in-in SNCoii in-in ActLoopNT-in 2.8978 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -121.02, 139.13 APE9-dihe-na 146.8, -160.32 APE8-dihe-in -112.69, 127.38 APE8-rot-in 312.39 APE67-dihe-in -64.8, -22.82 -49.61, -48.03 APE12-dist-in 8.8864 APE11-dist-in 11.8048 APE10-dist-in 6.0332 APE9-dist-in 3.6466 D389N,T423E None None XRAY 2.218 0.183 0.232 A 297.0 293.0 0 28 28 0 [[270, 521]] 1.0 9d4w 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 9D4WB Q13153 257 545 545.0 A1A2Q:601 Type1 Inactive DFGin 7.0786 14.217 BLBplus -160.39, -174.69 65.11, 52.23 -131.3, 155.27 46.64, 110.39 -110.39, 999.0 out-none out 11.2325 Saltbr-none 999.0 HRD-in -70.39, -56.69 81.1, -16.91 none-none-out SNCnno none-out ActLoopNT-none 999.0 ActLoopCT-out nonTYR APEdihe_aaiio APEdist_nnno APE10-dihe-na -88.9, -54.41 APE9-dihe-na -102.73, 164.75 APE8-dihe-in -84.58, 125.67 APE8-rot-in 293.16 APE67-dihe-out -69.4, -22.65 -86.39, 72.55 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-none 999.0 APE9-dist-out 13.5779 D389N,T423E None None XRAY 2.218 0.183 0.232 B 297.0 283.0 6 28 22 6 [[270, 521]] 1.0 9d4w 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 PAK2 PAK2_HUMAN 9D51A Q13177 230 523 524.0 A1A2Q:601 Type1 Inactive DFGin 6.8219 14.5788 BLAminus -155.68, -177.12 53.06, 83.32 -103.92, 22.39 298.47, 78.95 -74.5, -13.78 in-out in 9.8522 Saltbr-out 4.8692 HRD-in -82.04, -50.53 71.3, -6.01 out-in-in SNCoii in-in ActLoopNT-in 2.7358 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -111.33, 143.33 APE9-dihe-na 133.67, -179.52 APE8-dihe-in -102.94, 126.72 APE8-rot-in 307.45 APE67-dihe-in -60.66, -27.49 -40.35, -53.95 APE12-dist-in 10.2321 APE11-dist-in 12.0439 APE10-dist-in 6.4214 APE9-dist-in 3.3192 D368N,T402E,P498Q,M514A None None XRAY 2.1 0.215 0.285 A 297.0 289.0 5 28 23 5 [[249, 500]] 1.0 9d51 Homo sapiens STE_PAK2_HUMAN STE 2.5e-92 314.8 1.0 257.0 257.0 385 386 387 389 391 278 294 298 365 367 366 368.0 425 413 408 407 406 405 404 403 402 324 Serine/threonine-protein kinase PAK 2
STE PAK2 PAK2_HUMAN 9D51B Q13177 231 522 524.0 A1A2Q:601 Type1 Inactive DFGin 7.4627 14.6272 BLBplus -148.89, 171.4 55.47, 51.12 -127.9, 150.94 47.62, 98.01 -123.17, -151.45 out-out out 12.7071 Saltbr-out 7.4493 HRD-in -83.39, -45.71 84.58, -20.71 out-none-out SNCono none-out ActLoopNT-none 999.0 ActLoopCT-out nonTYR APEdihe_aaiio APEdist_oooo APE10-dihe-na -102.48, -50.47 APE9-dihe-na -87.43, 155.09 APE8-dihe-in -94.3, 130.54 APE8-rot-in 291.03 APE67-dihe-out -70.68, -23.25 -91.81, 72.44 APE12-dist-out 25.9945 APE11-dist-out 22.8678 APE10-dist-out 24.1234 APE9-dist-out 13.675 D368N,T402E,P498Q,M514A None None XRAY 2.1 0.215 0.285 B 297.0 288.0 4 28 24 4 [[249, 500]] 1.0 9d51 Homo sapiens STE_PAK2_HUMAN STE 2.5e-92 314.8 1.0 257.0 257.0 385 386 387 389 391 278 294 298 365 367 366 368.0 425 413 408 407 406 405 404 403 402 324 Serine/threonine-protein kinase PAK 2

Ligand: A1A2Q

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