Ligand: A1A1A

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% 9D00A
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 9D00A Q92918 6 293 833.0 A1A1A:901 Type1 Inactive DFGin 6.3356 14.4475 BLAminus -140.17, 169.69 66.05, 82.16 -90.41, 19.67 289.69, 94.63 -57.9, -45.24 in-in in 9.1471 Saltbr-in 2.5436 HRD-in -69.4, -52.71 68.37, -0.38 in-out-out SNCioo out-out ActLoopNT-out 6.2391 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_oooo APE10-dihe-na -115.73, -16.53 APE9-dihe-na 70.33, -148.11 APE8-dihe-in -67.12, 125.31 APE8-rot-out 58.95 APE67-dihe-in -62.24, -23.42 -101.84, 10.31 APE12-dist-out 19.3992 APE11-dist-out 20.6356 APE10-dist-out 21.3987 APE9-dist-out 28.1938 None None None XRAY 1.951 0.247 0.279 A 309.0 284.0 4 28 28 0 [[17, 274]] 1.0 9d00 STE_MAP4K1_HUMAN STE 4.9e-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 9D00B Q92918 4 292 833.0 A1A1A:401 Type1 Inactive DFGin 6.3364 14.317 BLAminus -139.86, 169.35 66.73, 83.9 -91.21, 18.67 290.65, 95.0 -58.22, -46.78 in-in in 9.1799 Saltbr-in 2.5442 HRD-in -69.48, -53.11 69.59, -1.41 in-out-out SNCioo out-out ActLoopNT-out 6.1897 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_oooo APE10-dihe-na -71.7, -18.52 APE9-dihe-na 69.55, -149.8 APE8-dihe-in -76.21, 127.76 APE8-rot-out 54.96 APE67-dihe-in -61.76, -27.13 -102.55, 9.59 APE12-dist-out 19.3082 APE11-dist-out 20.5052 APE10-dist-out 21.5126 APE9-dist-out 28.1743 None None None XRAY 1.951 0.247 0.279 B 309.0 284.0 5 28 28 0 [[17, 274]] 1.0 9d00 STE_MAP4K1_HUMAN STE 4.9e-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 9D00C Q92918 4 293 833.0 A1A1A:401 Type1 Inactive DFGin 6.2419 14.4473 BLAminus -140.24, 170.38 65.3, 82.76 -91.49, 20.02 291.46, 93.21 -59.78, -44.19 in-in in 9.119 Saltbr-in 2.57 HRD-in -70.48, -52.81 68.16, -0.69 in-out-out SNCioo out-out ActLoopNT-out 6.1986 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_oooo APE10-dihe-na -95.51, -17.94 APE9-dihe-na 66.33, -149.39 APE8-dihe-in -68.18, 126.44 APE8-rot-out 60.28 APE67-dihe-in -61.75, -26.6 -102.65, 9.42 APE12-dist-out 19.7112 APE11-dist-out 20.0976 APE10-dist-out 21.2741 APE9-dist-out 28.0237 None None None XRAY 1.951 0.247 0.279 C 309.0 284.0 6 28 28 0 [[17, 274]] 1.0 9d00 STE_MAP4K1_HUMAN STE 4.9e-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 9D00D Q92918 4 292 833.0 A1A1A:401 Type1 Inactive DFGin 6.342 14.3714 BLAminus -139.3, 170.77 65.41, 83.56 -92.51, 20.91 290.0, 94.21 -58.73, -44.95 in-in in 9.1504 Saltbr-in 2.6817 HRD-in -70.53, -51.9 66.76, -0.27 in-out-out SNCioo out-out ActLoopNT-out 6.1685 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_oooo APE10-dihe-na -82.51, -20.77 APE9-dihe-na 70.59, -152.77 APE8-dihe-in -74.62, 128.96 APE8-rot-out 53.71 APE67-dihe-in -61.19, -25.01 -101.63, 7.98 APE12-dist-out 19.4164 APE11-dist-out 20.7458 APE10-dist-out 21.537 APE9-dist-out 28.3143 None None None XRAY 1.951 0.247 0.279 D 309.0 285.0 4 28 28 0 [[17, 274]] 1.0 9d00 STE_MAP4K1_HUMAN STE 4.9e-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: A1A1A

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% 9D00A
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 9D00A Q92918 6 293 833.0 A1A1A:901 Type1 Inactive DFGin 6.3356 14.4475 BLAminus -140.17, 169.69 66.05, 82.16 -90.41, 19.67 289.69, 94.63 -57.9, -45.24 in-in in 9.1471 Saltbr-in 2.5436 HRD-in -69.4, -52.71 68.37, -0.38 in-out-out SNCioo out-out ActLoopNT-out 6.2391 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_oooo APE10-dihe-na -115.73, -16.53 APE9-dihe-na 70.33, -148.11 APE8-dihe-in -67.12, 125.31 APE8-rot-out 58.95 APE67-dihe-in -62.24, -23.42 -101.84, 10.31 APE12-dist-out 19.3992 APE11-dist-out 20.6356 APE10-dist-out 21.3987 APE9-dist-out 28.1938 None None None XRAY 1.951 0.247 0.279 A 309.0 284.0 4 28 28 0 [[17, 274]] 1.0 9d00 Homo sapiens STE_MAP4K1_HUMAN STE 4.9e-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 9D00B Q92918 4 292 833.0 A1A1A:401 Type1 Inactive DFGin 6.3364 14.317 BLAminus -139.86, 169.35 66.73, 83.9 -91.21, 18.67 290.65, 95.0 -58.22, -46.78 in-in in 9.1799 Saltbr-in 2.5442 HRD-in -69.48, -53.11 69.59, -1.41 in-out-out SNCioo out-out ActLoopNT-out 6.1897 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_oooo APE10-dihe-na -71.7, -18.52 APE9-dihe-na 69.55, -149.8 APE8-dihe-in -76.21, 127.76 APE8-rot-out 54.96 APE67-dihe-in -61.76, -27.13 -102.55, 9.59 APE12-dist-out 19.3082 APE11-dist-out 20.5052 APE10-dist-out 21.5126 APE9-dist-out 28.1743 None None None XRAY 1.951 0.247 0.279 B 309.0 284.0 5 28 28 0 [[17, 274]] 1.0 9d00 Homo sapiens STE_MAP4K1_HUMAN STE 4.9e-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 9D00C Q92918 4 293 833.0 A1A1A:401 Type1 Inactive DFGin 6.2419 14.4473 BLAminus -140.24, 170.38 65.3, 82.76 -91.49, 20.02 291.46, 93.21 -59.78, -44.19 in-in in 9.119 Saltbr-in 2.57 HRD-in -70.48, -52.81 68.16, -0.69 in-out-out SNCioo out-out ActLoopNT-out 6.1986 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_oooo APE10-dihe-na -95.51, -17.94 APE9-dihe-na 66.33, -149.39 APE8-dihe-in -68.18, 126.44 APE8-rot-out 60.28 APE67-dihe-in -61.75, -26.6 -102.65, 9.42 APE12-dist-out 19.7112 APE11-dist-out 20.0976 APE10-dist-out 21.2741 APE9-dist-out 28.0237 None None None XRAY 1.951 0.247 0.279 C 309.0 284.0 6 28 28 0 [[17, 274]] 1.0 9d00 Homo sapiens STE_MAP4K1_HUMAN STE 4.9e-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 9D00D Q92918 4 292 833.0 A1A1A:401 Type1 Inactive DFGin 6.342 14.3714 BLAminus -139.3, 170.77 65.41, 83.56 -92.51, 20.91 290.0, 94.21 -58.73, -44.95 in-in in 9.1504 Saltbr-in 2.6817 HRD-in -70.53, -51.9 66.76, -0.27 in-out-out SNCioo out-out ActLoopNT-out 6.1685 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_oooo APE10-dihe-na -82.51, -20.77 APE9-dihe-na 70.59, -152.77 APE8-dihe-in -74.62, 128.96 APE8-rot-out 53.71 APE67-dihe-in -61.19, -25.01 -101.63, 7.98 APE12-dist-out 19.4164 APE11-dist-out 20.7458 APE10-dist-out 21.537 APE9-dist-out 28.3143 None None None XRAY 1.951 0.247 0.279 D 309.0 285.0 4 28 28 0 [[17, 274]] 1.0 9d00 Homo sapiens STE_MAP4K1_HUMAN STE 4.9e-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: A1A1A

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