PDB: 3TV7 — AGC ROCK1_HUMAN

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% 3TV7A

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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 3TV7A Q13464 9 402 1354.0 07Q:1 Type1 Inactive DFGin 6.1406 13.4622 BLAminus -126.35, -171.09 45.97, 69.47 -88.78, 8.65 301.41, 82.65 -54.6, -19.4 in-in in 8.7491 Saltbr-in 2.5658 HRD-out -65.46, -38.18 49.28, -142.26 in-in-out SNCiio in-out ActLoopNT-in 2.7702 ActLoopCT-out nonTYR APEdihe_aaooi APEdist_iiio APE10-dihe-na -117.48, 157.83 APE9-dihe-na -63.36, -178.67 APE8-dihe-out 60.06, 84.52 APE8-rot-out 58.98 APE67-dihe-in -61.64, -35.43 -43.45, -41.95 APE12-dist-in 11.2393 APE11-dist-in 11.898 APE10-dist-in 6.0244 APE9-dist-out 8.3764 None None None XRAY 2.75 0.205 0.253 A 410.0 394.0 0 29 29 0 [[76, 338]] 1.0 3tv7 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 3TV7B Q13464 6 402 1354.0 07Q:2 Type1 Inactive DFGin 5.8574 13.2 BLAminus -126.47, -172.51 48.84, 75.23 -91.42, 11.14 311.64, 99.6 -51.14, -22.86 in-in in 8.6012 Saltbr-in 2.8316 HRD-in -67.51, -48.56 77.38, -23.22 in-in-out SNCiio in-out ActLoopNT-in 2.796 ActLoopCT-out nonTYR APEdihe_aaooi APEdist_oioo APE10-dihe-na -129.19, 116.98 APE9-dihe-na -63.15, 117.97 APE8-dihe-out 61.18, 138.65 APE8-rot-out 58.98 APE67-dihe-in -71.45, -48.06 -97.86, 39.1 APE12-dist-out 6.2956 APE11-dist-in 10.3719 APE10-dist-out 8.7345 APE9-dist-out 9.9928 None None None XRAY 2.75 0.205 0.253 B 410.0 397.0 0 29 29 0 [[76, 338]] 1.0 3tv7 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 3TV7C Q13464 9 402 1354.0 07Q:3 Type1 Inactive DFGin 5.9954 13.0575 BLAminus -112.83, -173.21 51.38, 70.56 -91.09, 10.07 312.0, 83.09 -58.15, -16.34 in-in in 8.6464 Saltbr-in 2.6029 HRD-out -60.51, -40.04 50.0, -144.78 in-in-out SNCiio in-out ActLoopNT-in 2.8678 ActLoopCT-out nonTYR APEdihe_aaoii APEdist_iiio APE10-dihe-na -114.03, 172.25 APE9-dihe-na -61.19, 179.57 APE8-dihe-out 57.96, 81.04 APE8-rot-in 298.99 APE67-dihe-in -60.89, -34.02 -49.59, -35.58 APE12-dist-in 10.4112 APE11-dist-in 11.8316 APE10-dist-in 5.904 APE9-dist-out 7.9512 None None None XRAY 2.75 0.205 0.253 C 410.0 394.0 0 29 29 0 [[76, 338]] 1.0 3tv7 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 3TV7D Q13464 6 402 1354.0 07Q:4 Type1 Inactive DFGin 6.0098 13.3878 BLAminus -132.56, -173.08 50.96, 76.18 -95.18, 10.41 310.62, 100.91 -52.21, -21.09 in-in in 8.6226 Saltbr-in 2.9696 HRD-in -71.89, -52.06 76.5, -19.27 in-in-out SNCiio in-out ActLoopNT-in 2.7466 ActLoopCT-out nonTYR APEdihe_aaoii APEdist_oioo APE10-dihe-na -125.31, 112.9 APE9-dihe-na -69.4, 112.01 APE8-dihe-out 62.52, 139.7 APE8-rot-in 314.53 APE67-dihe-in -45.86, -52.51 -76.31, -19.81 APE12-dist-out 5.5561 APE11-dist-in 10.0551 APE10-dist-out 9.4481 APE9-dist-out 9.1763 None None None XRAY 2.75 0.205 0.253 D 410.0 397.0 0 29 29 0 [[76, 338]] 1.0 3tv7 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

PDB: 3TV7 — AGC ROCK1_HUMAN

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% 3TV7A

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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 3TV7A Q13464 9 402 1354.0 07Q:1 Type1 Inactive DFGin 6.1406 13.4622 BLAminus -126.35, -171.09 45.97, 69.47 -88.78, 8.65 301.41, 82.65 -54.6, -19.4 in-in in 8.7491 Saltbr-in 2.5658 HRD-out -65.46, -38.18 49.28, -142.26 in-in-out SNCiio in-out ActLoopNT-in 2.7702 ActLoopCT-out nonTYR APEdihe_aaooi APEdist_iiio APE10-dihe-na -117.48, 157.83 APE9-dihe-na -63.36, -178.67 APE8-dihe-out 60.06, 84.52 APE8-rot-out 58.98 APE67-dihe-in -61.64, -35.43 -43.45, -41.95 APE12-dist-in 11.2393 APE11-dist-in 11.898 APE10-dist-in 6.0244 APE9-dist-out 8.3764 None None None XRAY 2.75 0.205 0.253 A 410.0 394.0 0 29 29 0 [[76, 338]] 1.0 3tv7 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 3TV7B Q13464 6 402 1354.0 07Q:2 Type1 Inactive DFGin 5.8574 13.2 BLAminus -126.47, -172.51 48.84, 75.23 -91.42, 11.14 311.64, 99.6 -51.14, -22.86 in-in in 8.6012 Saltbr-in 2.8316 HRD-in -67.51, -48.56 77.38, -23.22 in-in-out SNCiio in-out ActLoopNT-in 2.796 ActLoopCT-out nonTYR APEdihe_aaooi APEdist_oioo APE10-dihe-na -129.19, 116.98 APE9-dihe-na -63.15, 117.97 APE8-dihe-out 61.18, 138.65 APE8-rot-out 58.98 APE67-dihe-in -71.45, -48.06 -97.86, 39.1 APE12-dist-out 6.2956 APE11-dist-in 10.3719 APE10-dist-out 8.7345 APE9-dist-out 9.9928 None None None XRAY 2.75 0.205 0.253 B 410.0 397.0 0 29 29 0 [[76, 338]] 1.0 3tv7 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 3TV7C Q13464 9 402 1354.0 07Q:3 Type1 Inactive DFGin 5.9954 13.0575 BLAminus -112.83, -173.21 51.38, 70.56 -91.09, 10.07 312.0, 83.09 -58.15, -16.34 in-in in 8.6464 Saltbr-in 2.6029 HRD-out -60.51, -40.04 50.0, -144.78 in-in-out SNCiio in-out ActLoopNT-in 2.8678 ActLoopCT-out nonTYR APEdihe_aaoii APEdist_iiio APE10-dihe-na -114.03, 172.25 APE9-dihe-na -61.19, 179.57 APE8-dihe-out 57.96, 81.04 APE8-rot-in 298.99 APE67-dihe-in -60.89, -34.02 -49.59, -35.58 APE12-dist-in 10.4112 APE11-dist-in 11.8316 APE10-dist-in 5.904 APE9-dist-out 7.9512 None None None XRAY 2.75 0.205 0.253 C 410.0 394.0 0 29 29 0 [[76, 338]] 1.0 3tv7 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 3TV7D Q13464 6 402 1354.0 07Q:4 Type1 Inactive DFGin 6.0098 13.3878 BLAminus -132.56, -173.08 50.96, 76.18 -95.18, 10.41 310.62, 100.91 -52.21, -21.09 in-in in 8.6226 Saltbr-in 2.9696 HRD-in -71.89, -52.06 76.5, -19.27 in-in-out SNCiio in-out ActLoopNT-in 2.7466 ActLoopCT-out nonTYR APEdihe_aaoii APEdist_oioo APE10-dihe-na -125.31, 112.9 APE9-dihe-na -69.4, 112.01 APE8-dihe-out 62.52, 139.7 APE8-rot-in 314.53 APE67-dihe-in -45.86, -52.51 -76.31, -19.81 APE12-dist-out 5.5561 APE11-dist-in 10.0551 APE10-dist-out 9.4481 APE9-dist-out 9.1763 None None None XRAY 2.75 0.205 0.253 D 410.0 397.0 0 29 29 0 [[76, 338]] 1.0 3tv7 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

PDB: 3TV7 — AGC ROCK1_HUMAN

Total number of chains: 0
Active chains: 0
Total number of genes: 0
Spatial label Dihedral label Number of Chains Percent Representative

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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