Ligand: 4KH

Total number of chains: 2
Active chains: 1
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 2 100.0% 4YVCB
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 4YVCA Q13464 6 405 1354.0 4KH:60501 Type1 Active DFGin 5.8704 13.1138 BLAminus -131.73, 179.43 49.79, 78.91 -95.58, 35.98 309.76, 96.36 -52.74, -39.15 in-in in 8.4249 Saltbr-in 3.0266 HRD-in -62.91, -47.72 78.09, -4.27 in-in-in SNCiii in-in ActLoopNT-in 3.0631 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -141.16, 137.86 APE9-dihe-na 126.1, -158.78 APE8-dihe-in -106.17, 145.81 APE8-rot-in 290.0 APE67-dihe-in -72.07, -14.66 -55.89, -48.56 APE12-dist-in 11.644 APE11-dist-in 11.4144 APE10-dist-in 5.9155 APE9-dist-in 3.809 None None None XRAY 3.2 0.193 0.221 A 415.0 388.0 5 29 29 0 [[76, 338]] 1.0 4yvc AGC_ROCK1_HUMAN AGC 3.5e-94 320.7 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 4YVCB Q13464 6 402 1354.0 4KH:60501 Type1 Inactive DFGin 5.9866 13.03 BLAminus -134.48, 170.05 59.86, 81.37 -101.66, 32.67 304.4, 103.91 -59.54, -31.24 in-in in 8.0767 Saltbr-in 2.8763 HRD-in -67.8, -48.64 81.06, -11.79 in-in-out SNCiio in-out ActLoopNT-in 3.0338 ActLoopCT-out nonTYR APEdihe_aaoii APEdist_iioo APE10-dihe-na -102.76, 137.3 APE9-dihe-na -116.91, 99.15 APE8-dihe-out 69.44, 93.76 APE8-rot-in 303.49 APE67-dihe-in -38.38, -37.91 -75.8, -10.12 APE12-dist-in 8.3297 APE11-dist-in 11.8443 APE10-dist-out 10.6438 APE9-dist-out 9.5203 None None None XRAY 3.2 0.193 0.221 B 415.0 391.0 0 29 29 0 [[76, 338]] 1.0 4yvc AGC_ROCK1_HUMAN AGC 3.5e-94 320.7 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: 4KH

Total number of chains: 2
Active chains: 1
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 2 100.0% 4YVCB
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 4YVCA Q13464 6 405 1354.0 4KH:60501 Type1 Active DFGin 5.8704 13.1138 BLAminus -131.73, 179.43 49.79, 78.91 -95.58, 35.98 309.76, 96.36 -52.74, -39.15 in-in in 8.4249 Saltbr-in 3.0266 HRD-in -62.91, -47.72 78.09, -4.27 in-in-in SNCiii in-in ActLoopNT-in 3.0631 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -141.16, 137.86 APE9-dihe-na 126.1, -158.78 APE8-dihe-in -106.17, 145.81 APE8-rot-in 290.0 APE67-dihe-in -72.07, -14.66 -55.89, -48.56 APE12-dist-in 11.644 APE11-dist-in 11.4144 APE10-dist-in 5.9155 APE9-dist-in 3.809 None None None XRAY 3.2 0.193 0.221 A 415.0 388.0 5 29 29 0 [[76, 338]] 1.0 4yvc Homo sapiens AGC_ROCK1_HUMAN AGC 3.5e-94 320.7 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 4YVCB Q13464 6 402 1354.0 4KH:60501 Type1 Inactive DFGin 5.9866 13.03 BLAminus -134.48, 170.05 59.86, 81.37 -101.66, 32.67 304.4, 103.91 -59.54, -31.24 in-in in 8.0767 Saltbr-in 2.8763 HRD-in -67.8, -48.64 81.06, -11.79 in-in-out SNCiio in-out ActLoopNT-in 3.0338 ActLoopCT-out nonTYR APEdihe_aaoii APEdist_iioo APE10-dihe-na -102.76, 137.3 APE9-dihe-na -116.91, 99.15 APE8-dihe-out 69.44, 93.76 APE8-rot-in 303.49 APE67-dihe-in -38.38, -37.91 -75.8, -10.12 APE12-dist-in 8.3297 APE11-dist-in 11.8443 APE10-dist-out 10.6438 APE9-dist-out 9.5203 None None None XRAY 3.2 0.193 0.221 B 415.0 391.0 0 29 29 0 [[76, 338]] 1.0 4yvc Homo sapiens AGC_ROCK1_HUMAN AGC 3.5e-94 320.7 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: 4KH

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