1OP8

crystal structure of human granzyme a

• Total interactions analyzed: 15
• Total true interactions: 7
• Strongest Interaction:
  • Chains: D-E
  • Int. Res.: 43
  • Norm. En. per Res.: -1.5545
• Hub Node: A(2)

All Interactions

Chains	Hydro. Bond Ener. (kJ/mol)	Elec. Ener. (kJ/mol)	VDW. Ener. (kJ/mol)	Tot. Stab. Ener. (kJ/mol)	#int. res.	# Short cont.	#Hydr. int.	#VDW pairs	#salt bridges	#Pot. fav. elec. int	#Pot. unfav. elec. int
A-B	-38.0429	1.6274	589.373	552.9575	65	19	0	5932	2	24	20
A-E	0.0	0.0	-2.2688	-2.2688	5	0	0	132	0	3	1
B-D	-3.3397	-12.0225	-48.3088	-63.671	46	3	0	2798	1	17	21
B-E	-11.819	-8.4312	-66.9796	-87.2298	59	1	1	3092	0	20	16
C-D	-35.7777	9.469	572.752	546.4433	64	12	0	5900	2	25	20
D-E	-2.9593	4.6494	-68.535	-66.8449	43	5	0	3957	0	15	28
E-F	-39.9892	9.5981	616.727	586.3359	62	12	0	5578	2	24	20

Interface residues

• A-B: ALA97A, ALA97B, ARG165A, ARG165B, ARG170A, ARG170B, ARG99B, ASN169A, ASN169B, ASN170A, ASN173A, ASN173B, ASN179A, ASN179B, ASP129B, ASP164A, ASP164B, ASP170A, ASP170B, ASP95A, ASP95B, CYS168A, CYS168B, CYS93A, CYS93B, GLU100A, GLU100B, GLY177A, GLY177B, HIS171A, HIS234A, HIS234B, ILE176A, ILE176B, LYS166A, LYS166B, LYS232B, LYS233A, LYS233B, MET178A, MET178B, MET180A, MET180B, PHE173A, PHE173B, PHE215B, PRO174A, PRO174B, PRO92A, PRO92B, PRO96A, PRO96B, SER232B, THR98A, THR98B, TYR172A, TYR172B, TYR91A, TYR91B, TYR94A, TYR94B, VAL167A, VAL167B, VAL175A, VAL175B
• A-E: ALA148E, ARG170A, ASN146E, SER147E, THR144E
• B-D: ALA112D, ARG210B, ARG27B, ASN115D, ASN159B, ASP128B, ASP129B, CYS136B, CYS201B, GLN137B, GLN81D, GLU110D, GLU157B, GLU202B, GLU76D, GLU77D, GLY207B, GLY69D, HIS122B, ILE114D, ILE82D, LEU121B, LEU123B, LEU200B, LYS111D, LYS113D, LYS116D, LYS125B, LYS126B, LYS131B, LYS49D, LYS80D, MET135B, MET83D, PHE209B, PRO124B, PRO132B, PRO78D, THR109D, THR134B, THR79D, TYR117D, TYR29B, VAL118D, VAL130B, VAL208B
• B-E: ALA139E, ARG156E, ARG170B, ARG187B, ARG187E, ARG188E, ARG223B, ARG27E, ASN146E, ASN159E, ASN169B, ASN170B, ASN20E, ASP164B, ASP170B, ASP222B, CYS136E, CYS168B, GLN137E, GLU157E, GLU202E, GLU21E, GLY133B, GLY188B, GLY188E, GLY18E, GLY19E, GLY207E, GLY221B, HIS145B, HIS145E, HIS171B, ILE160E, ILE162B, ILE163B, ILE16E, ILE17B, ILE17E, LEU186B, LEU200E, LYS116E, LYS131B, LYS166B, MET135B, MET135E, PRO132B, PRO223B, PRO24E, PRO28E, SER185B, SER26E, THR134B, THR161B, THR23E, TYR29E, VAL138E, VAL158E, VAL167B, VAL22E
• C-D: ALA97C, ALA97D, ARG165C, ARG165D, ARG170C, ARG170D, ARG99C, ASN169C, ASN169D, ASN173C, ASN173D, ASN179C, ASN179D, ASP164C, ASP164D, ASP170C, ASP170D, ASP95C, ASP95D, CYS168C, CYS168D, CYS93C, CYS93D, GLU100C, GLU100D, GLY177C, GLY177D, HIS234C, HIS234D, ILE176C, ILE176D, LYS166C, LYS166D, LYS232C, LYS232D, LYS233C, LYS233D, MET178C, MET178D, MET180C, MET180D, PHE173C, PHE173D, PHE215C, PRO174C, PRO174D, PRO92C, PRO92D, PRO96C, PRO96D, SER232C, SER232D, THR98C, THR98D, TYR172C, TYR172D, TYR91C, TYR91D, TYR94C, TYR94D, VAL167C, VAL167D, VAL175C, VAL175D
• D-E: ALA112E, ARG38D, ARG63D, ARG75E, ASN115E, ASN61D, ASP37D, GLN107D, GLN65D, GLN81E, GLU110D, GLU76D, GLU76E, GLU77E, GLY69E, HIS25E, ILE114E, ILE67D, ILE82D, ILE82E, LEU108D, LEU35D, LEU60D, LEU68E, LEU84D, LYS113E, LYS116E, LYS49E, LYS62D, LYS80E, LYS86D, LYS87D, MET83D, PRO24E, PRO78E, SER64D, THR109D, THR119E, THR79E, TYR117E, VAL118E, VAL66D, VAL85D
• E-F: ALA97E, ALA97F, ARG165E, ARG165F, ARG170E, ARG170F, ASN169E, ASN169F, ASN173E, ASN173F, ASN179E, ASN179F, ASP164E, ASP164F, ASP170E, ASP170F, ASP95E, ASP95F, CYS168E, CYS168F, CYS93E, CYS93F, GLU100E, GLU100F, GLY177E, GLY177F, HIS234E, HIS234F, ILE176E, ILE176F, LYS166E, LYS166F, LYS232E, LYS232F, LYS233E, LYS233F, MET178E, MET178F, MET180E, MET180F, PHE173E, PHE173F, PRO174E, PRO174F, PRO92E, PRO92F, PRO96E, PRO96F, SER232E, SER232F, THR98E, THR98F, TYR172E, TYR172F, TYR91E, TYR91F, TYR94E, TYR94F, VAL167E, VAL167F, VAL175E, VAL175F