Ligand: 2WI

Total number of chains: 2
Active chains: 0
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 2 100.0% 7R9PB
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 7R9PA Q92918 5 293 833.0 2WI:60301 Type1 Inactive DFGin 5.8663 14.8376 BLAminus -139.47, 175.09 56.52, 93.83 -96.72, 30.24 292.48, 91.02 -62.77, -53.1 in-out in 9.8497 Saltbr-out 3.9186 HRD-in -72.5, -57.61 75.96, -1.79 out-out-out SNCooo out-out ActLoopNT-out 6.0287 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_oooo APE10-dihe-na -97.04, -27.64 APE9-dihe-na 91.61, -154.21 APE8-dihe-in -95.68, 123.06 APE8-rot-out 57.95 APE67-dihe-in -65.56, -28.98 -97.36, 11.82 APE12-dist-out 19.5118 APE11-dist-out 20.7241 APE10-dist-out 22.0863 APE9-dist-out 28.4372 None None None XRAY 2.27 0.211 0.232 A 297.0 286.0 3 28 28 0 [[17, 274]] 1.0 7r9p STE_MAP4K1_HUMAN STE 4.2e-92 314.0 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 7R9PB Q92918 3 293 833.0 2WI:60301 Type1 Inactive DFGin 5.9448 15.2761 BLAminus -143.88, 174.79 53.65, 85.57 -90.15, 26.18 296.0, 90.76 -60.23, -48.45 in-out in 9.8571 Saltbr-out 4.5134 HRD-in -74.84, -52.47 68.69, 9.44 out-out-out SNCooo out-out ActLoopNT-out 6.388 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_oooo APE10-dihe-na -80.16, -17.77 APE9-dihe-na 72.14, -120.36 APE8-dihe-in -113.34, 108.55 APE8-rot-out 53.88 APE67-dihe-in -70.0, -20.38 -93.3, 14.58 APE12-dist-out 19.2143 APE11-dist-out 21.1131 APE10-dist-out 21.9068 APE9-dist-out 28.4031 None None None XRAY 2.27 0.211 0.232 B 297.0 291.0 0 28 28 0 [[17, 274]] 1.0 7r9p STE_MAP4K1_HUMAN STE 4.2e-92 314.0 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: 2WI

Total number of chains: 2
Active chains: 0
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 2 100.0% 7R9PB
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 7R9PA Q92918 5 293 833.0 2WI:60301 Type1 Inactive DFGin 5.8663 14.8376 BLAminus -139.47, 175.09 56.52, 93.83 -96.72, 30.24 292.48, 91.02 -62.77, -53.1 in-out in 9.8497 Saltbr-out 3.9186 HRD-in -72.5, -57.61 75.96, -1.79 out-out-out SNCooo out-out ActLoopNT-out 6.0287 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_oooo APE10-dihe-na -97.04, -27.64 APE9-dihe-na 91.61, -154.21 APE8-dihe-in -95.68, 123.06 APE8-rot-out 57.95 APE67-dihe-in -65.56, -28.98 -97.36, 11.82 APE12-dist-out 19.5118 APE11-dist-out 20.7241 APE10-dist-out 22.0863 APE9-dist-out 28.4372 None None None XRAY 2.27 0.211 0.232 A 297.0 286.0 3 28 28 0 [[17, 274]] 1.0 7r9p Homo sapiens STE_MAP4K1_HUMAN STE 4.2e-92 314.0 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 7R9PB Q92918 3 293 833.0 2WI:60301 Type1 Inactive DFGin 5.9448 15.2761 BLAminus -143.88, 174.79 53.65, 85.57 -90.15, 26.18 296.0, 90.76 -60.23, -48.45 in-out in 9.8571 Saltbr-out 4.5134 HRD-in -74.84, -52.47 68.69, 9.44 out-out-out SNCooo out-out ActLoopNT-out 6.388 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_oooo APE10-dihe-na -80.16, -17.77 APE9-dihe-na 72.14, -120.36 APE8-dihe-in -113.34, 108.55 APE8-rot-out 53.88 APE67-dihe-in -70.0, -20.38 -93.3, 14.58 APE12-dist-out 19.2143 APE11-dist-out 21.1131 APE10-dist-out 21.9068 APE9-dist-out 28.4031 None None None XRAY 2.27 0.211 0.232 B 297.0 291.0 0 28 28 0 [[17, 274]] 1.0 7r9p Homo sapiens STE_MAP4K1_HUMAN STE 4.2e-92 314.0 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: 2WI

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