PDB: 6P5P — AGC ROCK2_HUMAN

Total number of chains: 4
Active chains: 0
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGin ABAminus 4 100.0% 6P5PA

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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 ROCK2 ROCK2_HUMAN 6P5PA O75116 27 417 1388.0 O1V:2500 Type1 Inactive DFGin 6.1 13.7982 ABAminus -140.54, -38.15 -103.07, 135.03 -138.91, 13.89 292.53, 107.02 -62.06, -18.82 in-in in 9.0441 Saltbr-in 2.7049 HRD-in -91.96, -54.28 90.29, -35.29 in-in-out SNCiio in-out ActLoopNT-in 3.0978 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_iiii APE10-dihe-na -113.88, 157.67 APE9-dihe-na 95.31, 171.85 APE8-dihe-in -89.1, 136.7 APE8-rot-out 43.44 APE67-dihe-in -58.47, -37.34 -54.83, -41.99 APE12-dist-in 9.8535 APE11-dist-in 11.647 APE10-dist-in 5.6416 APE9-dist-in 4.5055 F270Y None None XRAY 3.3 0.207 0.236 A 405.0 386.0 0 29 29 0 [[92, 354]] 1.0 6p5p AGC_ROCK2_HUMAN AGC 1.8e-93 318.4 1.0 260.0 260.0 231 232 233 235 237 121 140 144 211 213 212 214.0 276 260 255 254 253 252 251 250 249 170 Rho-associated protein kinase 2
AGC ROCK2 ROCK2_HUMAN 6P5PB O75116 27 417 1388.0 O1V:2500 Type1 Inactive DFGin 6.0895 13.6668 ABAminus -142.64, -37.41 -103.44, 133.69 -139.28, 14.63 293.57, 107.2 -60.04, -21.17 in-in in 8.7166 Saltbr-in 2.7128 HRD-in -86.41, -51.75 93.44, -45.12 in-in-out SNCiio in-out ActLoopNT-in 3.1147 ActLoopCT-out nonTYR APEdihe_aaooo APEdist_nnio APE10-dihe-na 999.0, 98.93 APE9-dihe-na 96.49, 160.02 APE8-dihe-out -136.03, -48.15 APE8-rot-out 58.37 APE67-dihe-out -95.66, -8.92 -10.89, 163.72 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-in 6.8432 APE9-dist-out 7.7851 F270Y None None XRAY 3.3 0.207 0.236 B 405.0 369.0 11 29 24 5 [[92, 354]] 1.0 6p5p AGC_ROCK2_HUMAN AGC 1.8e-93 318.4 1.0 260.0 260.0 231 232 233 235 237 121 140 144 211 213 212 214.0 276 260 255 254 253 252 251 250 249 170 Rho-associated protein kinase 2
AGC ROCK2 ROCK2_HUMAN 6P5PC O75116 28 416 1388.0 O1V:2500 Type1 Inactive DFGin 6.0585 13.7793 ABAminus -141.44, -37.71 -103.72, 135.03 -139.29, 13.77 292.2, 107.44 -61.16, -19.58 in-in in 9.0196 Saltbr-in 2.5842 HRD-in -89.59, -53.69 91.0, -37.17 in-in-out SNCiio in-out ActLoopNT-in 3.0972 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_iiii APE10-dihe-na -113.85, 160.08 APE9-dihe-na 94.19, 175.02 APE8-dihe-in -83.56, 138.16 APE8-rot-out 27.44 APE67-dihe-in -59.59, -38.55 -52.39, -43.92 APE12-dist-in 9.8679 APE11-dist-in 11.697 APE10-dist-in 5.6986 APE9-dist-in 4.6141 F270Y None None XRAY 3.3 0.207 0.236 C 405.0 375.0 9 29 29 0 [[92, 354]] 1.0 6p5p AGC_ROCK2_HUMAN AGC 1.8e-93 318.4 1.0 260.0 260.0 231 232 233 235 237 121 140 144 211 213 212 214.0 276 260 255 254 253 252 251 250 249 170 Rho-associated protein kinase 2
AGC ROCK2 ROCK2_HUMAN 6P5PD O75116 26 416 1388.0 O1V:2500 Type1 Inactive DFGin 6.0632 13.5384 ABAminus -142.31, -37.19 -102.73, 133.81 -138.95, 14.8 293.03, 107.98 -61.89, -20.52 in-in in 8.7293 Saltbr-in 3.0028 HRD-in -87.78, -50.98 94.3, -44.63 in-in-out SNCiio in-out ActLoopNT-in 3.1052 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_iiio APE10-dihe-na 142.21, 160.44 APE9-dihe-na 98.4, 160.87 APE8-dihe-in -91.67, 134.46 APE8-rot-out 44.39 APE67-dihe-in -35.6, -42.17 -54.98, -42.29 APE12-dist-in 8.5396 APE11-dist-in 10.2333 APE10-dist-in 6.8652 APE9-dist-out 8.0997 F270Y None None XRAY 3.3 0.207 0.236 D 405.0 382.0 4 29 28 1 [[92, 354]] 1.0 6p5p AGC_ROCK2_HUMAN AGC 1.8e-93 318.4 1.0 260.0 260.0 231 232 233 235 237 121 140 144 211 213 212 214.0 276 260 255 254 253 252 251 250 249 170 Rho-associated protein kinase 2

PDB: 6P5P — AGC ROCK2_HUMAN

Total number of chains: 4
Active chains: 0
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGin ABAminus 4 100.0% 6P5PA

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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 ROCK2 ROCK2_HUMAN 6P5PA O75116 27 417 1388.0 O1V:2500 Type1 Inactive DFGin 6.1 13.7982 ABAminus -140.54, -38.15 -103.07, 135.03 -138.91, 13.89 292.53, 107.02 -62.06, -18.82 in-in in 9.0441 Saltbr-in 2.7049 HRD-in -91.96, -54.28 90.29, -35.29 in-in-out SNCiio in-out ActLoopNT-in 3.0978 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_iiii APE10-dihe-na -113.88, 157.67 APE9-dihe-na 95.31, 171.85 APE8-dihe-in -89.1, 136.7 APE8-rot-out 43.44 APE67-dihe-in -58.47, -37.34 -54.83, -41.99 APE12-dist-in 9.8535 APE11-dist-in 11.647 APE10-dist-in 5.6416 APE9-dist-in 4.5055 F270Y None None XRAY 3.3 0.207 0.236 A 405.0 386.0 0 29 29 0 [[92, 354]] 1.0 6p5p Homo sapiens AGC_ROCK2_HUMAN AGC 1.8e-93 318.4 1.0 260.0 260.0 231 232 233 235 237 121 140 144 211 213 212 214.0 276 260 255 254 253 252 251 250 249 170 Rho-associated protein kinase 2
AGC ROCK2 ROCK2_HUMAN 6P5PB O75116 27 417 1388.0 O1V:2500 Type1 Inactive DFGin 6.0895 13.6668 ABAminus -142.64, -37.41 -103.44, 133.69 -139.28, 14.63 293.57, 107.2 -60.04, -21.17 in-in in 8.7166 Saltbr-in 2.7128 HRD-in -86.41, -51.75 93.44, -45.12 in-in-out SNCiio in-out ActLoopNT-in 3.1147 ActLoopCT-out nonTYR APEdihe_aaooo APEdist_nnio APE10-dihe-na 999.0, 98.93 APE9-dihe-na 96.49, 160.02 APE8-dihe-out -136.03, -48.15 APE8-rot-out 58.37 APE67-dihe-out -95.66, -8.92 -10.89, 163.72 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-in 6.8432 APE9-dist-out 7.7851 F270Y None None XRAY 3.3 0.207 0.236 B 405.0 369.0 11 29 24 5 [[92, 354]] 1.0 6p5p Homo sapiens AGC_ROCK2_HUMAN AGC 1.8e-93 318.4 1.0 260.0 260.0 231 232 233 235 237 121 140 144 211 213 212 214.0 276 260 255 254 253 252 251 250 249 170 Rho-associated protein kinase 2
AGC ROCK2 ROCK2_HUMAN 6P5PC O75116 28 416 1388.0 O1V:2500 Type1 Inactive DFGin 6.0585 13.7793 ABAminus -141.44, -37.71 -103.72, 135.03 -139.29, 13.77 292.2, 107.44 -61.16, -19.58 in-in in 9.0196 Saltbr-in 2.5842 HRD-in -89.59, -53.69 91.0, -37.17 in-in-out SNCiio in-out ActLoopNT-in 3.0972 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_iiii APE10-dihe-na -113.85, 160.08 APE9-dihe-na 94.19, 175.02 APE8-dihe-in -83.56, 138.16 APE8-rot-out 27.44 APE67-dihe-in -59.59, -38.55 -52.39, -43.92 APE12-dist-in 9.8679 APE11-dist-in 11.697 APE10-dist-in 5.6986 APE9-dist-in 4.6141 F270Y None None XRAY 3.3 0.207 0.236 C 405.0 375.0 9 29 29 0 [[92, 354]] 1.0 6p5p Homo sapiens AGC_ROCK2_HUMAN AGC 1.8e-93 318.4 1.0 260.0 260.0 231 232 233 235 237 121 140 144 211 213 212 214.0 276 260 255 254 253 252 251 250 249 170 Rho-associated protein kinase 2
AGC ROCK2 ROCK2_HUMAN 6P5PD O75116 26 416 1388.0 O1V:2500 Type1 Inactive DFGin 6.0632 13.5384 ABAminus -142.31, -37.19 -102.73, 133.81 -138.95, 14.8 293.03, 107.98 -61.89, -20.52 in-in in 8.7293 Saltbr-in 3.0028 HRD-in -87.78, -50.98 94.3, -44.63 in-in-out SNCiio in-out ActLoopNT-in 3.1052 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_iiio APE10-dihe-na 142.21, 160.44 APE9-dihe-na 98.4, 160.87 APE8-dihe-in -91.67, 134.46 APE8-rot-out 44.39 APE67-dihe-in -35.6, -42.17 -54.98, -42.29 APE12-dist-in 8.5396 APE11-dist-in 10.2333 APE10-dist-in 6.8652 APE9-dist-out 8.0997 F270Y None None XRAY 3.3 0.207 0.236 D 405.0 382.0 4 29 28 1 [[92, 354]] 1.0 6p5p Homo sapiens AGC_ROCK2_HUMAN AGC 1.8e-93 318.4 1.0 260.0 260.0 231 232 233 235 237 121 140 144 211 213 212 214.0 276 260 255 254 253 252 251 250 249 170 Rho-associated protein kinase 2

PDB: 6P5P — AGC ROCK2_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