Ligand: XHS

Total number of chains: 2
Active chains: 0
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGin None 2 100.0% 7L25A
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 MAP4K1 M4K1_HUMAN 7L25A Q92918 7 294 833.0 XHS:301 Type1 Inactive DFGin 4.8827 15.036 None -55.28, -37.86 -159.35, -176.67 -80.39, 10.23 63.68, 79.5 109.4, -154.39 out-out out 13.3566 Saltbr-out 10.9871 HRD-in -68.56, -54.21 74.19, 0.12 out-out-out SNCooo out-out ActLoopNT-out 6.9298 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_iioo APE10-dihe-na -67.83, -24.29 APE9-dihe-na 79.98, -160.78 APE8-dihe-in -62.61, 131.99 APE8-rot-out 193.6 APE67-dihe-in -64.53, -27.32 -96.3, 1.86 APE12-dist-in 12.7847 APE11-dist-in 12.3273 APE10-dist-out 11.3185 APE9-dist-out 9.2138 S171A,G191C None None XRAY 1.85 0.187 0.227 A 289.0 288.0 0 28 28 0 [[17, 274]] 1.0 7l25 STE_MAP4K1_HUMAN STE 1.5e-91 312.2 1.0 256.0 256.0 154 155 156 158 160 46 62 66 134 136 135 137.0 197 182 177 176 175 174 173 172 171 92 Mitogen-activated protein kinase kinase kinase kinase 1
STE MAP4K1 M4K1_HUMAN 7L25B Q92918 6 293 833.0 XHS:301 Type1 Inactive DFGin 4.6918 15.1944 None -55.03, -37.48 -157.98, -176.29 -82.32, 12.4 61.67, 77.66 107.44, -152.88 out-out out 14.0546 Saltbr-out 11.4554 HRD-in -67.3, -54.15 74.75, -2.09 out-out-out SNCooo out-out ActLoopNT-out 6.9385 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_iioo APE10-dihe-na -67.95, -23.75 APE9-dihe-na 79.88, -158.91 APE8-dihe-in -63.36, 133.86 APE8-rot-out 194.95 APE67-dihe-in -65.2, -27.32 -96.05, 0.4 APE12-dist-in 12.7497 APE11-dist-in 12.1983 APE10-dist-out 11.4623 APE9-dist-out 9.2011 S171A,G191C None None XRAY 1.85 0.187 0.227 B 289.0 288.0 0 28 28 0 [[17, 274]] 1.0 7l25 STE_MAP4K1_HUMAN STE 1.5e-91 312.2 1.0 256.0 256.0 154 155 156 158 160 46 62 66 134 136 135 137.0 197 182 177 176 175 174 173 172 171 92 Mitogen-activated protein kinase kinase kinase kinase 1

Ligand: XHS

Total number of chains: 2
Active chains: 0
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGin None 2 100.0% 7L25A
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 MAP4K1 M4K1_HUMAN 7L25A Q92918 7 294 833.0 XHS:301 Type1 Inactive DFGin 4.8827 15.036 None -55.28, -37.86 -159.35, -176.67 -80.39, 10.23 63.68, 79.5 109.4, -154.39 out-out out 13.3566 Saltbr-out 10.9871 HRD-in -68.56, -54.21 74.19, 0.12 out-out-out SNCooo out-out ActLoopNT-out 6.9298 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_iioo APE10-dihe-na -67.83, -24.29 APE9-dihe-na 79.98, -160.78 APE8-dihe-in -62.61, 131.99 APE8-rot-out 193.6 APE67-dihe-in -64.53, -27.32 -96.3, 1.86 APE12-dist-in 12.7847 APE11-dist-in 12.3273 APE10-dist-out 11.3185 APE9-dist-out 9.2138 S171A,G191C None None XRAY 1.85 0.187 0.227 A 289.0 288.0 0 28 28 0 [[17, 274]] 1.0 7l25 Homo sapiens STE_MAP4K1_HUMAN STE 1.5e-91 312.2 1.0 256.0 256.0 154 155 156 158 160 46 62 66 134 136 135 137.0 197 182 177 176 175 174 173 172 171 92 Mitogen-activated protein kinase kinase kinase kinase 1
STE MAP4K1 M4K1_HUMAN 7L25B Q92918 6 293 833.0 XHS:301 Type1 Inactive DFGin 4.6918 15.1944 None -55.03, -37.48 -157.98, -176.29 -82.32, 12.4 61.67, 77.66 107.44, -152.88 out-out out 14.0546 Saltbr-out 11.4554 HRD-in -67.3, -54.15 74.75, -2.09 out-out-out SNCooo out-out ActLoopNT-out 6.9385 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_iioo APE10-dihe-na -67.95, -23.75 APE9-dihe-na 79.88, -158.91 APE8-dihe-in -63.36, 133.86 APE8-rot-out 194.95 APE67-dihe-in -65.2, -27.32 -96.05, 0.4 APE12-dist-in 12.7497 APE11-dist-in 12.1983 APE10-dist-out 11.4623 APE9-dist-out 9.2011 S171A,G191C None None XRAY 1.85 0.187 0.227 B 289.0 288.0 0 28 28 0 [[17, 274]] 1.0 7l25 Homo sapiens STE_MAP4K1_HUMAN STE 1.5e-91 312.2 1.0 256.0 256.0 154 155 156 158 160 46 62 66 134 136 135 137.0 197 182 177 176 175 174 173 172 171 92 Mitogen-activated protein kinase kinase kinase kinase 1

Ligand: XHS

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