Ligand: 07R

Total number of chains: 2
Active chains: 0
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 1 50.0% 3TWJA
DFGin None 1 50.0% 3TWJC
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
AGC ROCK1 ROCK1_HUMAN 3TWJA Q13464 7 402 1354.0 07R:1 Type1.5_Back Inactive DFGin 5.6996 13.1646 BLAminus -143.98, -170.74 43.72, 70.92 -91.2, 6.87 296.12, 123.32 -47.0, -46.98 in-in in 8.5649 Saltbr-in 2.7231 HRD-out -68.6, -38.18 61.09, 82.09 in-in-out SNCiio in-out ActLoopNT-in 3.1501 ActLoopCT-out nonTYR APEdihe_aaoii APEdist_iioo APE10-dihe-na -137.63, -171.58 APE9-dihe-na -153.4, 162.36 APE8-dihe-out 59.85, 72.82 APE8-rot-in 311.01 APE67-dihe-in -44.17, -44.94 -71.0, -20.06 APE12-dist-in 7.7426 APE11-dist-in 11.2172 APE10-dist-out 8.6376 APE9-dist-out 9.8121 None None None XRAY 2.9 0.224 0.289 A 410.0 396.0 0 29 29 0 [[76, 338]] 1.0 3twj AGC_ROCK1_HUMAN AGC 3.4e-94 320.8 1.0 260.0 260.0 215 216 217 219 221 105 124 128 195 197 196 198.0 260 244 239 238 237 236 235 234 233 154 Rho-associated protein kinase 1
AGC ROCK1 ROCK1_HUMAN 3TWJC Q13464 7 402 1354.0 07R:2 Type1 Inactive DFGin 8.7595 16.2726 None -145.99, 165.67 60.97, 69.02 -57.54, -10.47 212.34, 59.8 -68.93, 18.62 in-out in 7.7943 Saltbr-out 3.8223 HRD-in -73.44, -64.4 76.54, -16.94 out-out-out SNCooo out-out ActLoopNT-out 3.6487 ActLoopCT-out nonTYR APEdihe_aaoii APEdist_oiio APE10-dihe-na -174.55, 155.89 APE9-dihe-na -163.77, 151.18 APE8-dihe-out 67.81, 65.3 APE8-rot-in 318.87 APE67-dihe-in -61.73, -42.12 -68.66, -9.31 APE12-dist-out 6.7625 APE11-dist-in 8.2184 APE10-dist-in 6.2456 APE9-dist-out 9.0493 None None None XRAY 2.9 0.224 0.289 C 410.0 396.0 0 29 29 0 [[76, 338]] 1.0 3twj AGC_ROCK1_HUMAN AGC 3.4e-94 320.8 1.0 260.0 260.0 215 216 217 219 221 105 124 128 195 197 196 198.0 260 244 239 238 237 236 235 234 233 154 Rho-associated protein kinase 1

Ligand: 07R

Total number of chains: 2
Active chains: 0
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 1 50.0% 3TWJA
DFGin None 1 50.0% 3TWJC
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
AGC ROCK1 ROCK1_HUMAN 3TWJA Q13464 7 402 1354.0 07R:1 Type1.5_Back Inactive DFGin 5.6996 13.1646 BLAminus -143.98, -170.74 43.72, 70.92 -91.2, 6.87 296.12, 123.32 -47.0, -46.98 in-in in 8.5649 Saltbr-in 2.7231 HRD-out -68.6, -38.18 61.09, 82.09 in-in-out SNCiio in-out ActLoopNT-in 3.1501 ActLoopCT-out nonTYR APEdihe_aaoii APEdist_iioo APE10-dihe-na -137.63, -171.58 APE9-dihe-na -153.4, 162.36 APE8-dihe-out 59.85, 72.82 APE8-rot-in 311.01 APE67-dihe-in -44.17, -44.94 -71.0, -20.06 APE12-dist-in 7.7426 APE11-dist-in 11.2172 APE10-dist-out 8.6376 APE9-dist-out 9.8121 None None None XRAY 2.9 0.224 0.289 A 410.0 396.0 0 29 29 0 [[76, 338]] 1.0 3twj Homo sapiens AGC_ROCK1_HUMAN AGC 3.4e-94 320.8 1.0 260.0 260.0 215 216 217 219 221 105 124 128 195 197 196 198.0 260 244 239 238 237 236 235 234 233 154 Rho-associated protein kinase 1
AGC ROCK1 ROCK1_HUMAN 3TWJC Q13464 7 402 1354.0 07R:2 Type1 Inactive DFGin 8.7595 16.2726 None -145.99, 165.67 60.97, 69.02 -57.54, -10.47 212.34, 59.8 -68.93, 18.62 in-out in 7.7943 Saltbr-out 3.8223 HRD-in -73.44, -64.4 76.54, -16.94 out-out-out SNCooo out-out ActLoopNT-out 3.6487 ActLoopCT-out nonTYR APEdihe_aaoii APEdist_oiio APE10-dihe-na -174.55, 155.89 APE9-dihe-na -163.77, 151.18 APE8-dihe-out 67.81, 65.3 APE8-rot-in 318.87 APE67-dihe-in -61.73, -42.12 -68.66, -9.31 APE12-dist-out 6.7625 APE11-dist-in 8.2184 APE10-dist-in 6.2456 APE9-dist-out 9.0493 None None None XRAY 2.9 0.224 0.289 C 410.0 396.0 0 29 29 0 [[76, 338]] 1.0 3twj Homo sapiens AGC_ROCK1_HUMAN AGC 3.4e-94 320.8 1.0 260.0 260.0 215 216 217 219 221 105 124 128 195 197 196 198.0 260 244 239 238 237 236 235 234 233 154 Rho-associated protein kinase 1

Ligand: 07R

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