Ligand: B6I

Total number of chains: 4
Active chains: 0
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 4 100.0% 7QG2C
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
TKL IRAK4 IRAK4_HUMAN 7QG2A Q9NWZ3 164 458 460.0 B6I:501 Type1 Inactive DFGin 6.7297 14.1053 BLAminus -125.05, 176.88 61.14, 81.6 -102.86, 19.43 311.58, 97.65 -64.22, -24.25 in-out in 8.7049 Saltbr-out 4.5606 HRD-in -63.97, -47.98 75.86, -3.25 out-in-in SNCoii in-in ActLoopNT-in 2.8469 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -126.2, 151.19 APE9-dihe-na 136.66, 178.88 APE8-dihe-in -97.77, 114.51 APE8-rot-in 305.46 APE67-dihe-in -59.4, -19.06 -44.01, -48.1 APE12-dist-in 10.052 APE11-dist-in 11.4971 APE10-dist-in 6.1997 APE9-dist-in 3.9271 None TPO345,SEP346 TPO345,SEP346 XRAY 3.031 0.227 0.274 A 308.0 281.0 14 30 24 6 [[183, 456]] 1.0 7qg2 TKL_IRAK4_HUMAN TKL 4.4e-84 288.1 5.0 266.0 262.0 328 329 330 332 334 213 233 237 308 310 309 311.0 369 358 353 352 351 350 349 348 347 263 Interleukin-1 receptor-associated kinase 4
TKL IRAK4 IRAK4_HUMAN 7QG2B Q9NWZ3 165 458 460.0 B6I:501 Type1 Inactive DFGin 6.7217 14.5967 BLAminus -126.18, -179.5 55.73, 88.47 -114.93, 34.76 304.62, 86.87 -76.5, -21.59 in-out in 9.0083 Saltbr-out 4.1411 HRD-in -59.71, -48.0 76.59, -4.26 out-in-in SNCoii in-in ActLoopNT-in 2.8364 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -126.23, 151.56 APE9-dihe-na 136.82, 177.58 APE8-dihe-in -97.3, 113.73 APE8-rot-in 307.05 APE67-dihe-in -59.8, -18.2 -41.32, -48.97 APE12-dist-in 10.0594 APE11-dist-in 11.5265 APE10-dist-in 6.3643 APE9-dist-in 3.9131 None TPO345,SEP346 TPO345,SEP346 XRAY 3.031 0.227 0.274 B 308.0 275.0 19 30 22 8 [[183, 456]] 1.0 7qg2 TKL_IRAK4_HUMAN TKL 4.4e-84 288.1 5.0 266.0 262.0 328 329 330 332 334 213 233 237 308 310 309 311.0 369 358 353 352 351 350 349 348 347 263 Interleukin-1 receptor-associated kinase 4
TKL IRAK4 IRAK4_HUMAN 7QG2C Q9NWZ3 164 458 460.0 B6I:501 Type1 Inactive DFGin 6.9577 14.1725 BLAminus -123.88, 179.51 55.6, 95.37 -116.47, 22.24 302.05, 94.49 -66.41, -26.71 in-out in 8.9488 Saltbr-out 4.3168 HRD-in -60.39, -48.1 75.35, -2.7 out-in-in SNCoii in-in ActLoopNT-in 2.8488 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -125.09, 152.33 APE9-dihe-na 135.79, 177.88 APE8-dihe-in -96.73, 114.77 APE8-rot-in 307.98 APE67-dihe-in -59.31, -19.42 -43.08, -47.58 APE12-dist-in 10.1175 APE11-dist-in 11.6603 APE10-dist-in 6.4245 APE9-dist-in 3.9036 None TPO345,SEP346 TPO345,SEP346 XRAY 3.031 0.227 0.274 C 308.0 284.0 11 30 23 7 [[183, 456]] 1.0 7qg2 TKL_IRAK4_HUMAN TKL 4.4e-84 288.1 5.0 266.0 262.0 328 329 330 332 334 213 233 237 308 310 309 311.0 369 358 353 352 351 350 349 348 347 263 Interleukin-1 receptor-associated kinase 4
TKL IRAK4 IRAK4_HUMAN 7QG2D Q9NWZ3 164 458 460.0 B6I:501 Type1 Inactive DFGin 6.8695 14.5085 BLAminus -124.89, 178.48 57.48, 94.84 -118.64, 27.39 301.07, 100.0 -70.03, -20.47 in-out in 8.921 Saltbr-out 4.276 HRD-in -61.48, -47.48 76.38, -5.16 out-in-in SNCoii in-in ActLoopNT-in 2.8424 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -125.84, 151.37 APE9-dihe-na 137.51, 176.91 APE8-dihe-in -97.58, 114.3 APE8-rot-in 305.98 APE67-dihe-in -59.32, -18.8 -41.34, -49.0 APE12-dist-in 9.8967 APE11-dist-in 11.6128 APE10-dist-in 6.4087 APE9-dist-in 3.9216 None TPO345,SEP346 TPO345,SEP346 XRAY 3.031 0.227 0.274 D 308.0 280.0 15 30 23 7 [[183, 456]] 1.0 7qg2 TKL_IRAK4_HUMAN TKL 4.4e-84 288.1 5.0 266.0 262.0 328 329 330 332 334 213 233 237 308 310 309 311.0 369 358 353 352 351 350 349 348 347 263 Interleukin-1 receptor-associated kinase 4

Ligand: B6I

Total number of chains: 4
Active chains: 0
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 4 100.0% 7QG2C
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
TKL IRAK4 IRAK4_HUMAN 7QG2A Q9NWZ3 164 458 460.0 B6I:501 Type1 Inactive DFGin 6.7297 14.1053 BLAminus -125.05, 176.88 61.14, 81.6 -102.86, 19.43 311.58, 97.65 -64.22, -24.25 in-out in 8.7049 Saltbr-out 4.5606 HRD-in -63.97, -47.98 75.86, -3.25 out-in-in SNCoii in-in ActLoopNT-in 2.8469 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -126.2, 151.19 APE9-dihe-na 136.66, 178.88 APE8-dihe-in -97.77, 114.51 APE8-rot-in 305.46 APE67-dihe-in -59.4, -19.06 -44.01, -48.1 APE12-dist-in 10.052 APE11-dist-in 11.4971 APE10-dist-in 6.1997 APE9-dist-in 3.9271 None TPO345,SEP346 TPO345,SEP346 XRAY 3.031 0.227 0.274 A 308.0 281.0 14 30 24 6 [[183, 456]] 1.0 7qg2 Homo sapiens TKL_IRAK4_HUMAN TKL 4.4e-84 288.1 5.0 266.0 262.0 328 329 330 332 334 213 233 237 308 310 309 311.0 369 358 353 352 351 350 349 348 347 263 Interleukin-1 receptor-associated kinase 4
TKL IRAK4 IRAK4_HUMAN 7QG2B Q9NWZ3 165 458 460.0 B6I:501 Type1 Inactive DFGin 6.7217 14.5967 BLAminus -126.18, -179.5 55.73, 88.47 -114.93, 34.76 304.62, 86.87 -76.5, -21.59 in-out in 9.0083 Saltbr-out 4.1411 HRD-in -59.71, -48.0 76.59, -4.26 out-in-in SNCoii in-in ActLoopNT-in 2.8364 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -126.23, 151.56 APE9-dihe-na 136.82, 177.58 APE8-dihe-in -97.3, 113.73 APE8-rot-in 307.05 APE67-dihe-in -59.8, -18.2 -41.32, -48.97 APE12-dist-in 10.0594 APE11-dist-in 11.5265 APE10-dist-in 6.3643 APE9-dist-in 3.9131 None TPO345,SEP346 TPO345,SEP346 XRAY 3.031 0.227 0.274 B 308.0 275.0 19 30 22 8 [[183, 456]] 1.0 7qg2 Homo sapiens TKL_IRAK4_HUMAN TKL 4.4e-84 288.1 5.0 266.0 262.0 328 329 330 332 334 213 233 237 308 310 309 311.0 369 358 353 352 351 350 349 348 347 263 Interleukin-1 receptor-associated kinase 4
TKL IRAK4 IRAK4_HUMAN 7QG2C Q9NWZ3 164 458 460.0 B6I:501 Type1 Inactive DFGin 6.9577 14.1725 BLAminus -123.88, 179.51 55.6, 95.37 -116.47, 22.24 302.05, 94.49 -66.41, -26.71 in-out in 8.9488 Saltbr-out 4.3168 HRD-in -60.39, -48.1 75.35, -2.7 out-in-in SNCoii in-in ActLoopNT-in 2.8488 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -125.09, 152.33 APE9-dihe-na 135.79, 177.88 APE8-dihe-in -96.73, 114.77 APE8-rot-in 307.98 APE67-dihe-in -59.31, -19.42 -43.08, -47.58 APE12-dist-in 10.1175 APE11-dist-in 11.6603 APE10-dist-in 6.4245 APE9-dist-in 3.9036 None TPO345,SEP346 TPO345,SEP346 XRAY 3.031 0.227 0.274 C 308.0 284.0 11 30 23 7 [[183, 456]] 1.0 7qg2 Homo sapiens TKL_IRAK4_HUMAN TKL 4.4e-84 288.1 5.0 266.0 262.0 328 329 330 332 334 213 233 237 308 310 309 311.0 369 358 353 352 351 350 349 348 347 263 Interleukin-1 receptor-associated kinase 4
TKL IRAK4 IRAK4_HUMAN 7QG2D Q9NWZ3 164 458 460.0 B6I:501 Type1 Inactive DFGin 6.8695 14.5085 BLAminus -124.89, 178.48 57.48, 94.84 -118.64, 27.39 301.07, 100.0 -70.03, -20.47 in-out in 8.921 Saltbr-out 4.276 HRD-in -61.48, -47.48 76.38, -5.16 out-in-in SNCoii in-in ActLoopNT-in 2.8424 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -125.84, 151.37 APE9-dihe-na 137.51, 176.91 APE8-dihe-in -97.58, 114.3 APE8-rot-in 305.98 APE67-dihe-in -59.32, -18.8 -41.34, -49.0 APE12-dist-in 9.8967 APE11-dist-in 11.6128 APE10-dist-in 6.4087 APE9-dist-in 3.9216 None TPO345,SEP346 TPO345,SEP346 XRAY 3.031 0.227 0.274 D 308.0 280.0 15 30 23 7 [[183, 456]] 1.0 7qg2 Homo sapiens TKL_IRAK4_HUMAN TKL 4.4e-84 288.1 5.0 266.0 262.0 328 329 330 332 334 213 233 237 308 310 309 311.0 369 358 353 352 351 350 349 348 347 263 Interleukin-1 receptor-associated kinase 4

Ligand: B6I

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