Ligand: QH9

Total number of chains: 2
Active chains: 0
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGinter None 2 100.0% 8H7HA
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 ABL1 ABL1_HUMAN 8H7HA P00519 232 500 1130.0 QH9:601 Type1 Inactive DFGinter 8.3897 7.6867 None -66.88, 126.67 -122.6, 45.68 -99.68, -4.7 302.75, 91.96 -123.88, 23.24 in-none in 8.0355 Saltbr-none 999.0 HRD-in -99.74, -50.53 75.81, -4.43 none-out-in SNCnoi out-in ActLoopNT-out 5.7036 ActLoopCT-in TYR APEdihe_iiiai APEdist_aaai APE10-dihe-in -107.51, 132.84 APE9-dihe-in -111.46, 154.74 APE8-dihe-in -71.0, 89.59 APE8-rot-na 25.0 APE67-dihe-in -73.93, -5.32 -52.54, -45.5 APE12-dist-na 19.7488 APE11-dist-na 15.1821 APE10-dist-na 18.0666 APE9-dist-in 7.4376 None PTR393 PTR393 XRAY 2.278 0.185 0.221 A 277.0 269.0 0 29 29 0 [[242, 495]] 1.0 8h7h TYR_ABL1_HUMAN TYR 2.4e-100 341.1 1.0 260.0 260.0 380 381 382 384 386 271 286 290 360 362 361 363.0 421 409 404 403 402 401 400 399 398 316 Tyrosine-protein kinase ABL1
TYR ABL1 ABL1_HUMAN 8H7HB P00519 232 500 1130.0 QH9:601 Type1 Inactive DFGinter 8.4891 7.8649 None -64.21, 134.18 -129.36, 51.05 -106.57, -14.6 307.18, 95.7 -114.91, 23.11 in-none in 8.7401 Saltbr-none 999.0 HRD-in -105.06, -54.2 71.08, 0.92 none-out-in SNCnoi out-in ActLoopNT-out 5.5932 ActLoopCT-in TYR APEdihe_iiiai APEdist_aaai APE10-dihe-in -94.95, 127.69 APE9-dihe-in -114.73, 145.44 APE8-dihe-in -67.21, 95.26 APE8-rot-na 23.35 APE67-dihe-in -67.71, -18.52 -54.95, -42.72 APE12-dist-na 18.6967 APE11-dist-na 13.9374 APE10-dist-na 16.4493 APE9-dist-in 6.6979 None PTR393 PTR393 XRAY 2.278 0.185 0.221 B 277.0 258.0 11 29 29 0 [[242, 495]] 1.0 8h7h TYR_ABL1_HUMAN TYR 2.4e-100 341.1 1.0 260.0 260.0 380 381 382 384 386 271 286 290 360 362 361 363.0 421 409 404 403 402 401 400 399 398 316 Tyrosine-protein kinase ABL1

Ligand: QH9

Total number of chains: 2
Active chains: 0
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGinter None 2 100.0% 8H7HA
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 ABL1 ABL1_HUMAN 8H7HA P00519 232 500 1130.0 QH9:601 Type1 Inactive DFGinter 8.3897 7.6867 None -66.88, 126.67 -122.6, 45.68 -99.68, -4.7 302.75, 91.96 -123.88, 23.24 in-none in 8.0355 Saltbr-none 999.0 HRD-in -99.74, -50.53 75.81, -4.43 none-out-in SNCnoi out-in ActLoopNT-out 5.7036 ActLoopCT-in TYR APEdihe_iiiai APEdist_aaai APE10-dihe-in -107.51, 132.84 APE9-dihe-in -111.46, 154.74 APE8-dihe-in -71.0, 89.59 APE8-rot-na 25.0 APE67-dihe-in -73.93, -5.32 -52.54, -45.5 APE12-dist-na 19.7488 APE11-dist-na 15.1821 APE10-dist-na 18.0666 APE9-dist-in 7.4376 None PTR393 PTR393 XRAY 2.278 0.185 0.221 A 277.0 269.0 0 29 29 0 [[242, 495]] 1.0 8h7h Homo sapiens TYR_ABL1_HUMAN TYR 2.4e-100 341.1 1.0 260.0 260.0 380 381 382 384 386 271 286 290 360 362 361 363.0 421 409 404 403 402 401 400 399 398 316 Tyrosine-protein kinase ABL1
TYR ABL1 ABL1_HUMAN 8H7HB P00519 232 500 1130.0 QH9:601 Type1 Inactive DFGinter 8.4891 7.8649 None -64.21, 134.18 -129.36, 51.05 -106.57, -14.6 307.18, 95.7 -114.91, 23.11 in-none in 8.7401 Saltbr-none 999.0 HRD-in -105.06, -54.2 71.08, 0.92 none-out-in SNCnoi out-in ActLoopNT-out 5.5932 ActLoopCT-in TYR APEdihe_iiiai APEdist_aaai APE10-dihe-in -94.95, 127.69 APE9-dihe-in -114.73, 145.44 APE8-dihe-in -67.21, 95.26 APE8-rot-na 23.35 APE67-dihe-in -67.71, -18.52 -54.95, -42.72 APE12-dist-na 18.6967 APE11-dist-na 13.9374 APE10-dist-na 16.4493 APE9-dist-in 6.6979 None PTR393 PTR393 XRAY 2.278 0.185 0.221 B 277.0 258.0 11 29 29 0 [[242, 495]] 1.0 8h7h Homo sapiens TYR_ABL1_HUMAN TYR 2.4e-100 341.1 1.0 260.0 260.0 380 381 382 384 386 271 286 290 360 362 361 363.0 421 409 404 403 402 401 400 399 398 316 Tyrosine-protein kinase ABL1

Ligand: QH9

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