Ligand: XHV

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% 7L24C
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 7L24A Q92918 7 293 833.0 XHV:301 Type1 Inactive DFGin 7.0093 14.6196 BLAminus -143.84, -179.7 61.55, 69.1 -91.94, 12.61 283.35, 87.89 -58.65, -41.1 in-in in 8.865 Saltbr-in 3.0185 HRD-in -76.34, -55.95 67.89, 13.07 in-out-out SNCioo out-out ActLoopNT-out 6.0391 ActLoopCT-out nonTYR APEdihe_aannn APEdist_onnn APE10-dihe-na 999.0, 999.0 APE9-dihe-na 999.0, 999.0 APE8-dihe-none 999.0, 999.0 APE8-rot-none 999.0 APE67-dihe-none -83.54, -38.3 999.0, -31.75 APE12-dist-out 21.7593 APE11-dist-none 999.0 APE10-dist-none 999.0 APE9-dist-none 999.0 S171A,G191C None None XRAY 2.68 0.227 0.272 A 288.0 283.0 4 28 24 4 [[17, 274]] 1.0 7l24 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 7L24B Q92918 7 293 833.0 XHV:301 Type1 Inactive DFGin 6.5458 13.9746 BLAminus -135.14, 169.97 71.4, 79.39 -97.76, 12.38 287.4, 86.62 -58.33, -41.41 in-in in 8.9135 Saltbr-in 2.4378 HRD-in -76.97, -54.35 69.63, 6.66 in-out-out SNCioo out-out ActLoopNT-out 5.5694 ActLoopCT-out nonTYR APEdihe_aaiii APEdist_nnoo APE10-dihe-na 999.0, 128.53 APE9-dihe-na -79.83, -176.62 APE8-dihe-in -81.98, 123.97 APE8-rot-in 295.15 APE67-dihe-in -69.95, -26.85 -67.53, -22.94 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-out 22.9445 APE9-dist-out 27.3044 S171A,G191C None None XRAY 2.68 0.227 0.272 B 288.0 271.0 16 28 17 11 [[17, 274]] 1.0 7l24 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 7L24C Q92918 8 293 833.0 XHV:301 Type1 Inactive DFGin 6.624 13.9599 BLAminus -136.48, 171.4 72.39, 79.87 -99.38, 13.47 287.36, 81.53 -59.93, -44.55 in-in in 9.0343 Saltbr-in 3.127 HRD-in -75.35, -55.81 67.71, 14.86 in-out-out SNCioo out-out ActLoopNT-out 5.7406 ActLoopCT-out nonTYR APEdihe_aanii APEdist_ooon APE10-dihe-na -156.45, 999.0 APE9-dihe-na 999.0, 999.0 APE8-dihe-none 999.0, 105.18 APE8-rot-in 294.61 APE67-dihe-in -70.16, -27.48 -121.22, 17.23 APE12-dist-out 19.985 APE11-dist-out 20.1448 APE10-dist-out 21.5766 APE9-dist-none 999.0 S171A,G191C None None XRAY 2.68 0.227 0.272 C 288.0 283.0 3 28 25 3 [[17, 274]] 1.0 7l24 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 7L24D Q92918 8 292 833.0 XHV:301 Type1 Inactive DFGin 6.9675 14.3265 BLAminus -134.37, 175.58 63.92, 76.15 -95.35, 10.89 286.09, 85.69 -58.43, -42.03 in-in in 8.9518 Saltbr-in 3.364 HRD-in -77.33, -58.31 72.58, 6.78 in-out-out SNCioo out-out ActLoopNT-out 5.8132 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_oooo APE10-dihe-na -101.26, -46.51 APE9-dihe-na 81.9, 171.61 APE8-dihe-in -50.17, 142.46 APE8-rot-out 55.63 APE67-dihe-in -69.03, -27.01 -120.49, 22.45 APE12-dist-out 19.2372 APE11-dist-out 21.0483 APE10-dist-out 21.2721 APE9-dist-out 27.6243 S171A,G191C None None XRAY 2.68 0.227 0.272 D 288.0 274.0 11 28 28 0 [[17, 274]] 1.0 7l24 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: XHV

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% 7L24C
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 7L24A Q92918 7 293 833.0 XHV:301 Type1 Inactive DFGin 7.0093 14.6196 BLAminus -143.84, -179.7 61.55, 69.1 -91.94, 12.61 283.35, 87.89 -58.65, -41.1 in-in in 8.865 Saltbr-in 3.0185 HRD-in -76.34, -55.95 67.89, 13.07 in-out-out SNCioo out-out ActLoopNT-out 6.0391 ActLoopCT-out nonTYR APEdihe_aannn APEdist_onnn APE10-dihe-na 999.0, 999.0 APE9-dihe-na 999.0, 999.0 APE8-dihe-none 999.0, 999.0 APE8-rot-none 999.0 APE67-dihe-none -83.54, -38.3 999.0, -31.75 APE12-dist-out 21.7593 APE11-dist-none 999.0 APE10-dist-none 999.0 APE9-dist-none 999.0 S171A,G191C None None XRAY 2.68 0.227 0.272 A 288.0 283.0 4 28 24 4 [[17, 274]] 1.0 7l24 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 7L24B Q92918 7 293 833.0 XHV:301 Type1 Inactive DFGin 6.5458 13.9746 BLAminus -135.14, 169.97 71.4, 79.39 -97.76, 12.38 287.4, 86.62 -58.33, -41.41 in-in in 8.9135 Saltbr-in 2.4378 HRD-in -76.97, -54.35 69.63, 6.66 in-out-out SNCioo out-out ActLoopNT-out 5.5694 ActLoopCT-out nonTYR APEdihe_aaiii APEdist_nnoo APE10-dihe-na 999.0, 128.53 APE9-dihe-na -79.83, -176.62 APE8-dihe-in -81.98, 123.97 APE8-rot-in 295.15 APE67-dihe-in -69.95, -26.85 -67.53, -22.94 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-out 22.9445 APE9-dist-out 27.3044 S171A,G191C None None XRAY 2.68 0.227 0.272 B 288.0 271.0 16 28 17 11 [[17, 274]] 1.0 7l24 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 7L24C Q92918 8 293 833.0 XHV:301 Type1 Inactive DFGin 6.624 13.9599 BLAminus -136.48, 171.4 72.39, 79.87 -99.38, 13.47 287.36, 81.53 -59.93, -44.55 in-in in 9.0343 Saltbr-in 3.127 HRD-in -75.35, -55.81 67.71, 14.86 in-out-out SNCioo out-out ActLoopNT-out 5.7406 ActLoopCT-out nonTYR APEdihe_aanii APEdist_ooon APE10-dihe-na -156.45, 999.0 APE9-dihe-na 999.0, 999.0 APE8-dihe-none 999.0, 105.18 APE8-rot-in 294.61 APE67-dihe-in -70.16, -27.48 -121.22, 17.23 APE12-dist-out 19.985 APE11-dist-out 20.1448 APE10-dist-out 21.5766 APE9-dist-none 999.0 S171A,G191C None None XRAY 2.68 0.227 0.272 C 288.0 283.0 3 28 25 3 [[17, 274]] 1.0 7l24 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 7L24D Q92918 8 292 833.0 XHV:301 Type1 Inactive DFGin 6.9675 14.3265 BLAminus -134.37, 175.58 63.92, 76.15 -95.35, 10.89 286.09, 85.69 -58.43, -42.03 in-in in 8.9518 Saltbr-in 3.364 HRD-in -77.33, -58.31 72.58, 6.78 in-out-out SNCioo out-out ActLoopNT-out 5.8132 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_oooo APE10-dihe-na -101.26, -46.51 APE9-dihe-na 81.9, 171.61 APE8-dihe-in -50.17, 142.46 APE8-rot-out 55.63 APE67-dihe-in -69.03, -27.01 -120.49, 22.45 APE12-dist-out 19.2372 APE11-dist-out 21.0483 APE10-dist-out 21.2721 APE9-dist-out 27.6243 S171A,G191C None None XRAY 2.68 0.227 0.272 D 288.0 274.0 11 28 28 0 [[17, 274]] 1.0 7l24 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: XHV

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