Ligand: G4W

Total number of chains: 2
Active chains: 0
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGout BBAminus 2 100.0% 6HHOA
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 RIPK1 RIPK1_HUMAN 6HHOA Q13546 8 294 671.0 G4W:301 Type3 Inactive DFGout 13.67 9.6936 BBAminus -115.24, 164.48 -126.66, 62.71 -63.79, -26.65 296.63, 179.45 -87.49, 3.26 out-out out 14.2077 Saltbr-out 13.0166 HRD-in -59.4, -57.1 78.79, -22.09 out-out-out SNCooo out-out ActLoopNT-out 6.2091 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_nnno APE10-dihe-na 999.0, 999.0 APE9-dihe-na 999.0, 174.3 APE8-dihe-in -93.04, 144.83 APE8-rot-out 195.71 APE67-dihe-in -65.11, -26.33 -104.41, -2.53 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-none 999.0 APE9-dist-out 10.2439 C34A,C127A,C233A,C240A None None XRAY 3.49 0.209 0.227 A 303.0 273.0 14 41 30 11 [[17, 287]] 1.0 6hho TKL_RIPK1_HUMAN TKL 1.4e-72 250.4 6.0 265.0 260.0 155 156 157 159 161 45 63 67 135 137 136 138.0 210 196 191 190 189 188 187 186 185 93 Receptor-interacting serine/threonine-protein kinase 1
TKL RIPK1 RIPK1_HUMAN 6HHOB Q13546 7 294 671.0 G4W:301 Type3 Inactive DFGout 13.8242 9.4421 BBAminus -119.74, 167.8 -136.07, 70.92 -69.13, -25.22 303.5, 11.26 -79.53, -4.81 out-out out 14.3182 Saltbr-out 12.6089 HRD-in -55.52, -56.34 83.4, -19.29 out-out-none SNCoon out-none ActLoopNT-out 6.0498 ActLoopCT-none nonTYR APEdihe_aanii APEdist_nnnn APE10-dihe-na 999.0, 999.0 APE9-dihe-na 999.0, 999.0 APE8-dihe-none 999.0, -34.12 APE8-rot-in 325.58 APE67-dihe-in -55.64, -31.82 -55.9, -39.78 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-none 999.0 APE9-dist-none 999.0 C34A,C127A,C233A,C240A None None XRAY 3.49 0.209 0.227 B 303.0 266.0 22 41 29 12 [[17, 287]] 1.0 6hho TKL_RIPK1_HUMAN TKL 1.4e-72 250.4 6.0 265.0 260.0 155 156 157 159 161 45 63 67 135 137 136 138.0 210 196 191 190 189 188 187 186 185 93 Receptor-interacting serine/threonine-protein kinase 1

Ligand: G4W

Total number of chains: 2
Active chains: 0
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGout BBAminus 2 100.0% 6HHOA
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 RIPK1 RIPK1_HUMAN 6HHOA Q13546 8 294 671.0 G4W:301 Type3 Inactive DFGout 13.67 9.6936 BBAminus -115.24, 164.48 -126.66, 62.71 -63.79, -26.65 296.63, 179.45 -87.49, 3.26 out-out out 14.2077 Saltbr-out 13.0166 HRD-in -59.4, -57.1 78.79, -22.09 out-out-out SNCooo out-out ActLoopNT-out 6.2091 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_nnno APE10-dihe-na 999.0, 999.0 APE9-dihe-na 999.0, 174.3 APE8-dihe-in -93.04, 144.83 APE8-rot-out 195.71 APE67-dihe-in -65.11, -26.33 -104.41, -2.53 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-none 999.0 APE9-dist-out 10.2439 C34A,C127A,C233A,C240A None None XRAY 3.49 0.209 0.227 A 303.0 273.0 14 41 30 11 [[17, 287]] 1.0 6hho Homo sapiens TKL_RIPK1_HUMAN TKL 1.4e-72 250.4 6.0 265.0 260.0 155 156 157 159 161 45 63 67 135 137 136 138.0 210 196 191 190 189 188 187 186 185 93 Receptor-interacting serine/threonine-protein kinase 1
TKL RIPK1 RIPK1_HUMAN 6HHOB Q13546 7 294 671.0 G4W:301 Type3 Inactive DFGout 13.8242 9.4421 BBAminus -119.74, 167.8 -136.07, 70.92 -69.13, -25.22 303.5, 11.26 -79.53, -4.81 out-out out 14.3182 Saltbr-out 12.6089 HRD-in -55.52, -56.34 83.4, -19.29 out-out-none SNCoon out-none ActLoopNT-out 6.0498 ActLoopCT-none nonTYR APEdihe_aanii APEdist_nnnn APE10-dihe-na 999.0, 999.0 APE9-dihe-na 999.0, 999.0 APE8-dihe-none 999.0, -34.12 APE8-rot-in 325.58 APE67-dihe-in -55.64, -31.82 -55.9, -39.78 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-none 999.0 APE9-dist-none 999.0 C34A,C127A,C233A,C240A None None XRAY 3.49 0.209 0.227 B 303.0 266.0 22 41 29 12 [[17, 287]] 1.0 6hho Homo sapiens TKL_RIPK1_HUMAN TKL 1.4e-72 250.4 6.0 265.0 260.0 155 156 157 159 161 45 63 67 135 137 136 138.0 210 196 191 190 189 188 187 186 185 93 Receptor-interacting serine/threonine-protein kinase 1

Ligand: G4W

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