3P83

structure of the pcna:rnase hii complex from archaeoglobus fulgidus.

• Total interactions analyzed: 15
• Total true interactions: 12
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 60
  • Norm. En. per Res.: -4.6552
• Hub Node: A(4)

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	-111.4117	-15.0474	-152.85	-279.3091	60	16	7	5957	2	24	32
A-C	-83.3532	-17.4315	-150.601	-251.3857	59	11	7	5665	1	25	31
A-D	-82.9426	-36.5333	-205.276	-324.7519	81	14	8	7749	2	20	17
A-E	0.0	-0.8694	-0.0512	-0.9207	12	0	0	26	0	22	15
B-C	-74.505	-8.3969	-118.132	-201.0339	56	11	6	4882	2	24	28
B-E	-29.9759	-88.0183	-104.937	-222.9313	56	10	3	4817	9	31	45
B-F	-59.8533	12.4872	-211.378	-258.7441	72	10	8	7827	0	16	14
C-D	0.0	0.0	-0.0052	-0.0052	3	0	0	6	0	0	0
C-E	-39.9204	-20.2369	-152.861	-213.0184	70	7	6	5905	2	33	23
D-E	-40.4315	-77.3429	-165.695	-283.4693	70	7	0	6212	8	58	58
D-F	0.0	0.0	-0.3059	-0.3059	2	0	0	56	0	1	3
E-F	-9.3533	-4.137	-92.9226	-106.4129	68	2	2	4283	1	40	33

Interface residues

• A-B: ALA109A, ALA141B, ALA143B, ALA144B, ALA145B, ALA165B, ARG162B, ARG73A, ASP146B, ASP168B, ASP170B, ASP70A, ASP76A, ASP85A, GLU105A, GLU137B, GLU164B, GLU180B, GLY102A, GLY167B, HIS175B, ILE111A, ILE142B, ILE148B, ILE163B, ILE172B, ILE74A, ILE77A, ILE81A, LEU110A, LEU181B, LEU97A, LYS100A, LYS107A, LYS140B, LYS147B, LYS166B, LYS79A, LYS98A, MET133B, MET176B, PHE101A, PHE161B, PHE174B, PHE75A, SER103A, SER149B, SER171B, SER78A, SER80A, SER82A, SER95A, THR177B, THR96A, TYR106A, VAL104A, VAL108A, VAL169B, VAL173B, VAL99A
• A-C: ALA109C, ALA141A, ALA143A, ALA144A, ALA145A, ALA165A, ARG162A, ARG73C, ASP146A, ASP168A, ASP170A, ASP70C, ASP72C, ASP76C, ASP85C, GLU105C, GLU137A, GLU164A, GLU180A, GLY102C, GLY167A, HIS175A, ILE111C, ILE142A, ILE148A, ILE163A, ILE172A, ILE74C, ILE77C, ILE81C, LEU110C, LEU181A, LEU97C, LYS100C, LYS107C, LYS140A, LYS147A, LYS79C, LYS98C, MET133A, MET176A, PHE101C, PHE161A, PHE174A, PHE75C, SER103C, SER171A, SER78C, SER80C, SER82C, SER95C, THR177A, THR96C, TYR106C, VAL104C, VAL108C, VAL169A, VAL173A, VAL99C
• A-D: ALA179D, ALA239A, ALA38A, ALA42A, ALA45A, ALA74D, ALA75D, ARG117A, ARG121A, ARG182D, ARG190D, ARG198D, ARG241A, ASN196D, ASN218A, ASN43A, ASP150A, ASP168A, ASP196A, ASP203D, ASP204D, ASP40A, ASP70D, GLN151A, GLN199D, GLU124A, GLU126A, GLU176D, GLU243A, GLU71D, GLY167A, GLY181D, ILE122A, ILE178D, ILE183D, ILE237A, ILE242A, ILE48A, LEU125A, LEU127A, LEU174D, LEU197D, LEU202D, LEU21A, LEU238A, LYS118A, LYS166A, LYS175D, LYS192D, LYS200D, MET189D, MET192A, MET46A, MET73D, PHE193A, PHE201A, PHE205D, PRO120A, PRO123A, PRO220A, PRO240A, PRO41A, SER180D, SER191A, SER194A, SER195D, SER244A, THR193D, THR201D, THR217A, TRP177D, TYR197A, TYR219A, TYR236A, VAL169A, VAL194D, VAL195A, VAL221A, VAL39A, VAL44A, VAL47A
• A-E: ARG45E, ASP146A, ASP150A, ASP168A, ASP196A, ASP28E, LYS131E, LYS147A, LYS32E, LYS40E, LYS79A, PRO41A
• B-C: ALA109B, ALA141C, ALA143C, ALA144C, ALA145C, ALA165C, ARG162C, ARG73B, ASP168C, ASP170C, ASP70B, ASP72B, ASP76B, GLU105B, GLU137C, GLU164C, GLU180C, GLY102B, GLY167C, HIS175C, ILE111B, ILE148C, ILE163C, ILE172C, ILE74B, ILE77B, ILE81B, LEU110B, LEU97B, LYS100B, LYS107B, LYS140C, LYS147C, LYS166C, LYS79B, LYS98B, MET133C, MET176C, PHE101B, PHE161C, PHE174C, PHE75B, SER103B, SER171C, SER78B, SER80B, SER82B, SER95B, THR177C, THR96B, TYR106B, VAL104B, VAL108B, VAL169C, VAL173C, VAL99B
• B-E: ALA20B, ALA42B, ALA45B, ARG109E, ARG112E, ARG121E, ARG16B, ARG241B, ARG73B, ASP104E, ASP146B, ASP150B, ASP196B, ASP40B, ASP70B, ASP72B, ASP76B, GLN151B, GLU108E, GLU113E, GLU115E, GLU116E, GLU125E, GLU200B, GLU24B, HIS126E, ILE106E, ILE18B, ILE74B, ILE77B, LEU198B, LEU21B, LEU238B, LYS199B, LYS203B, LYS79B, LYS83E, MET71B, PHE201B, PHE75B, PRO107E, PRO41B, SER111E, SER149B, SER194B, SER23B, THR15B, TYR197B, TYR236B, VAL105E, VAL122E, VAL123E, VAL195B, VAL19B, VAL22B, VAL44B
• B-F: ALA179F, ALA239B, ALA38B, ALA42B, ALA45B, ARG121B, ARG198F, ARG222B, ARG241B, ASN196F, ASN218B, ASN43B, ASP150B, ASP168B, ASP196B, ASP203F, ASP204F, ASP40B, GLN151B, GLN199F, GLU124B, GLU126B, GLU176F, GLU243B, GLY181F, ILE122B, ILE178F, ILE183F, ILE237B, ILE242B, ILE48B, LEU125B, LEU127B, LEU197F, LEU198B, LEU202F, LEU21B, LEU238B, LYS175F, LYS192F, LYS200F, MET189F, MET192B, MET46B, PHE193B, PHE201B, PHE205F, PRO120B, PRO123B, PRO220B, PRO240B, PRO41B, SER149B, SER180F, SER191B, SER194B, SER195F, SER244B, THR193F, THR201F, THR217B, TRP177F, TRP191F, TYR197B, TYR219B, TYR236B, VAL194F, VAL195B, VAL221B, VAL39B, VAL44B, VAL47B
• C-D: ALA74D, ALA75D, ARG73C
• C-E: ALA165E, ALA239C, ALA38C, ALA42C, ALA45C, ARG117C, ARG121C, ARG169E, ARG171E, ARG198E, ARG222C, ARG241C, ASN218C, ASN43C, ASP150C, ASP167E, ASP196C, ASP203E, ASP204E, ASP37E, ASP40C, ASP72C, ASP76C, GLN151C, GLN199E, GLU124C, GLU126C, GLU243C, ILE122C, ILE237C, ILE242C, ILE48C, LEU125C, LEU127C, LEU197E, LEU202E, LEU21C, LEU238C, LYS127E, LYS147C, LYS175E, LYS192E, LYS200E, LYS203C, LYS40E, LYS79C, MET192C, MET46C, PHE193C, PHE201C, PHE205E, PRO120C, PRO123C, PRO168E, PRO220C, PRO240C, PRO41C, SER166E, SER194C, THR201E, THR217C, TYR197C, TYR219C, TYR236C, VAL105E, VAL195C, VAL221C, VAL39C, VAL44C, VAL47C
• D-E: ALA124D, ALA50E, ALA74D, ALA75D, ARG109D, ARG112D, ARG121D, ARG146E, ARG148E, ARG152E, ARG171D, ARG190D, ARG29E, ARG45E, ARG46E, ARG54E, ARG72D, ASN196D, ASN79D, ASP104D, ASP159E, GLN43E, GLU108D, GLU113D, GLU115D, GLU116D, GLU145E, GLU147E, GLU149E, GLU151E, GLU155E, GLU47E, GLU48E, GLU51E, GLU52E, GLU80D, GLY11D, GLY158E, GLY44E, HIS126D, ILE106D, ILE150E, ILE78D, ILE81D, LEU110D, LEU153E, LEU33E, LEU49E, LYS10D, LYS143E, LYS154E, LYS192D, LYS32E, LYS55E, LYS63E, LYS76D, LYS83D, MET73D, PRO103D, PRO107D, SER102D, SER111D, SER195D, SER42E, THR77D, TRP191D, VAL105D, VAL122D, VAL123D, VAL144E
• D-F: LYS127D, LYS131F
• E-F: ALA165F, ALA23E, ALA3E, ALA87E, ARG109F, ARG112E, ARG121E, ARG171F, ARG190F, ARG29E, ARG54E, ARG58E, ASN196F, ASN79F, ASP104F, ASP167F, ASP26E, CYS12F, CYS24E, CYS57E, GLN199F, GLU108F, GLU113E, GLU115E, GLU116E, GLU60E, GLU96E, GLY119E, GLY11F, GLY163F, GLY9F, HIS126F, ILE106F, ILE117E, ILE53E, ILE56E, LEU0E, LEU114E, LEU120E, LEU197F, LEU91E, LEU93E, LYS10F, LYS127F, LYS175F, LYS2E, LYS55E, LYS94E, MET1E, PRO103F, PRO107F, PRO168F, SER102F, SER162F, SER166F, SER195F, SER25E, THR118E, THR193F, THR201F, THR59E, THR77F, TYR164F, VAL105F, VAL122E, VAL13F, VAL194F, VAL22E