Ligand: A1BW4

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% 9NBSA
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 9NBSA Q92918 3 293 833.0 A1BW4:312 Type1 Inactive DFGin 6.543 15.1395 BLAminus -146.1, 166.61 69.7, 85.0 -90.14, 23.76 293.67, 93.84 -61.08, -43.36 out-out out 10.091 Saltbr-out 4.6487 HRD-in -75.52, -51.94 71.79, 2.7 out-out-out SNCooo out-out ActLoopNT-out 6.2753 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_oooo APE10-dihe-na -64.95, -30.13 APE9-dihe-na 83.5, -176.39 APE8-dihe-in -60.89, 134.02 APE8-rot-out 196.75 APE67-dihe-in -67.54, -23.89 -100.39, -0.26 APE12-dist-out 19.2337 APE11-dist-out 20.8051 APE10-dist-out 21.5887 APE9-dist-out 27.8241 None None None XRAY 1.8 0.167 0.207 A 311.0 291.0 0 28 28 0 [[17, 274]] 1.0 9nbs STE_MAP4K1_HUMAN STE 5e-92 313.8 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 9NBSB Q92918 4 293 833.0 A1BW4:309 Type1 Inactive DFGin 6.6788 15.4239 BLAminus -142.94, 164.96 71.95, 83.55 -93.82, 22.6 293.89, 95.45 -62.36, -42.17 out-out out 10.0762 Saltbr-out 3.7118 HRD-in -71.82, -53.88 74.04, 5.26 out-out-out SNCooo out-out ActLoopNT-out 6.126 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_oooo APE10-dihe-na -70.84, -27.25 APE9-dihe-na 80.94, -173.11 APE8-dihe-in -65.61, 141.02 APE8-rot-out 195.95 APE67-dihe-in -67.9, -21.76 -102.86, -1.4 APE12-dist-out 19.2156 APE11-dist-out 20.9768 APE10-dist-out 21.6227 APE9-dist-out 27.6849 None None None XRAY 1.8 0.167 0.207 B 311.0 290.0 0 28 28 0 [[17, 274]] 1.0 9nbs STE_MAP4K1_HUMAN STE 5e-92 313.8 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: A1BW4

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% 9NBSA
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 9NBSA Q92918 3 293 833.0 A1BW4:312 Type1 Inactive DFGin 6.543 15.1395 BLAminus -146.1, 166.61 69.7, 85.0 -90.14, 23.76 293.67, 93.84 -61.08, -43.36 out-out out 10.091 Saltbr-out 4.6487 HRD-in -75.52, -51.94 71.79, 2.7 out-out-out SNCooo out-out ActLoopNT-out 6.2753 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_oooo APE10-dihe-na -64.95, -30.13 APE9-dihe-na 83.5, -176.39 APE8-dihe-in -60.89, 134.02 APE8-rot-out 196.75 APE67-dihe-in -67.54, -23.89 -100.39, -0.26 APE12-dist-out 19.2337 APE11-dist-out 20.8051 APE10-dist-out 21.5887 APE9-dist-out 27.8241 None None None XRAY 1.8 0.167 0.207 A 311.0 291.0 0 28 28 0 [[17, 274]] 1.0 9nbs Homo sapiens STE_MAP4K1_HUMAN STE 5e-92 313.8 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 9NBSB Q92918 4 293 833.0 A1BW4:309 Type1 Inactive DFGin 6.6788 15.4239 BLAminus -142.94, 164.96 71.95, 83.55 -93.82, 22.6 293.89, 95.45 -62.36, -42.17 out-out out 10.0762 Saltbr-out 3.7118 HRD-in -71.82, -53.88 74.04, 5.26 out-out-out SNCooo out-out ActLoopNT-out 6.126 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_oooo APE10-dihe-na -70.84, -27.25 APE9-dihe-na 80.94, -173.11 APE8-dihe-in -65.61, 141.02 APE8-rot-out 195.95 APE67-dihe-in -67.9, -21.76 -102.86, -1.4 APE12-dist-out 19.2156 APE11-dist-out 20.9768 APE10-dist-out 21.6227 APE9-dist-out 27.6849 None None None XRAY 1.8 0.167 0.207 B 311.0 290.0 0 28 28 0 [[17, 274]] 1.0 9nbs Homo sapiens STE_MAP4K1_HUMAN STE 5e-92 313.8 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: A1BW4

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