Ligand: VSA

Total number of chains: 2
Active chains: 0
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGin None 2 100.0% 3VS1B
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
TYR HCK HCK_HUMAN 3VS1B P08631 81 526 526.0 VSA:60602 Type1 Inactive DFGin 6.7322 16.9114 None -77.82, 121.43 -54.05, 124.88 82.63, -74.78 150.57, 57.75 -49.96, -36.41 out-out out 14.0072 Saltbr-out 14.3647 HRD-in -101.3, -38.37 77.41, -41.31 out-out-none SNCoon out-none ActLoopNT-out 6.7331 ActLoopCT-none TYR APEdihe_nnnai APEdist_aaan APE10-dihe-none 999.0, 999.0 APE9-dihe-none 999.0, 999.0 APE8-dihe-none 999.0, 18.85 APE8-rot-na 30.48 APE67-dihe-in -65.84, -20.55 -144.01, -39.6 APE12-dist-na 999.0 APE11-dist-na 999.0 APE10-dist-na 999.0 APE9-dist-none 999.0 Q523E,Q524E,Q525I PTR522 PTR522 XRAY 2.464 0.281 0.281 B 454.0 433.0 13 29 16 13 [[262, 513]] 1.0 3vs1 TYR_HCK_HUMAN TYR 1.4e-95 325.6 1.0 260.0 260.0 398 399 400 402 404 290 305 309 378 380 379 381.0 439 427 422 421 420 419 418 417 416 334 Tyrosine-protein kinase HCK
TYR HCK HCK_HUMAN 3VS1A P08631 81 526 526.0 VSA:60602 Type1.5_Back Inactive DFGin 6.3901 17.1455 None -69.87, 118.45 -52.39, 130.08 95.26, -49.41 153.54, 67.46 -76.6, -8.56 out-out out 13.1819 Saltbr-out 15.1558 HRD-in -89.48, -44.64 76.16, -14.14 out-out-none SNCoon out-none ActLoopNT-out 6.893 ActLoopCT-none TYR APEdihe_nnnai APEdist_aaan APE10-dihe-none 999.0, 999.0 APE9-dihe-none 999.0, 999.0 APE8-dihe-none 999.0, 70.94 APE8-rot-na 32.7 APE67-dihe-in -65.2, -12.86 -62.99, -17.37 APE12-dist-na 999.0 APE11-dist-na 999.0 APE10-dist-na 999.0 APE9-dist-none 999.0 Q523E,Q524E,Q525I PTR522 PTR522 XRAY 2.464 0.281 0.281 A 454.0 424.0 13 29 16 13 [[262, 513]] 1.0 3vs1 TYR_HCK_HUMAN TYR 1.4e-95 325.6 1.0 260.0 260.0 398 399 400 402 404 290 305 309 378 380 379 381.0 439 427 422 421 420 419 418 417 416 334 Tyrosine-protein kinase HCK

Ligand: VSA

Total number of chains: 2
Active chains: 0
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGin None 2 100.0% 3VS1B
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
TYR HCK HCK_HUMAN 3VS1B P08631 81 526 526.0 VSA:60602 Type1 Inactive DFGin 6.7322 16.9114 None -77.82, 121.43 -54.05, 124.88 82.63, -74.78 150.57, 57.75 -49.96, -36.41 out-out out 14.0072 Saltbr-out 14.3647 HRD-in -101.3, -38.37 77.41, -41.31 out-out-none SNCoon out-none ActLoopNT-out 6.7331 ActLoopCT-none TYR APEdihe_nnnai APEdist_aaan APE10-dihe-none 999.0, 999.0 APE9-dihe-none 999.0, 999.0 APE8-dihe-none 999.0, 18.85 APE8-rot-na 30.48 APE67-dihe-in -65.84, -20.55 -144.01, -39.6 APE12-dist-na 999.0 APE11-dist-na 999.0 APE10-dist-na 999.0 APE9-dist-none 999.0 Q523E,Q524E,Q525I PTR522 PTR522 XRAY 2.464 0.281 0.281 B 454.0 433.0 13 29 16 13 [[262, 513]] 1.0 3vs1 Homo sapiens TYR_HCK_HUMAN TYR 1.4e-95 325.6 1.0 260.0 260.0 398 399 400 402 404 290 305 309 378 380 379 381.0 439 427 422 421 420 419 418 417 416 334 Tyrosine-protein kinase HCK
TYR HCK HCK_HUMAN 3VS1A P08631 81 526 526.0 VSA:60602 Type1.5_Back Inactive DFGin 6.3901 17.1455 None -69.87, 118.45 -52.39, 130.08 95.26, -49.41 153.54, 67.46 -76.6, -8.56 out-out out 13.1819 Saltbr-out 15.1558 HRD-in -89.48, -44.64 76.16, -14.14 out-out-none SNCoon out-none ActLoopNT-out 6.893 ActLoopCT-none TYR APEdihe_nnnai APEdist_aaan APE10-dihe-none 999.0, 999.0 APE9-dihe-none 999.0, 999.0 APE8-dihe-none 999.0, 70.94 APE8-rot-na 32.7 APE67-dihe-in -65.2, -12.86 -62.99, -17.37 APE12-dist-na 999.0 APE11-dist-na 999.0 APE10-dist-na 999.0 APE9-dist-none 999.0 Q523E,Q524E,Q525I PTR522 PTR522 XRAY 2.464 0.281 0.281 A 454.0 424.0 13 29 16 13 [[262, 513]] 1.0 3vs1 Homo sapiens TYR_HCK_HUMAN TYR 1.4e-95 325.6 1.0 260.0 260.0 398 399 400 402 404 290 305 309 378 380 379 381.0 439 427 422 421 420 419 418 417 416 334 Tyrosine-protein kinase HCK

Ligand: VSA

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