3P87

structure of human pcna bound to rnaseh2b pip box peptide

• Total interactions analyzed: 66
• Total true interactions: 30
• Strongest Interaction:
  • Chains: A-G
  • Int. Res.: 55
  • Norm. En. per Res.: -4.1143
• Hub Node: A(7)

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-G	-37.4586	26.4977	-215.325	-226.2859	55	8	8	7310	1	7	6
A-B	0.0	0.0	-0.0124	-0.0124	2	0	0	11	0	0	0
A-C	-82.1797	0.3921	-173.453	-255.2406	68	9	0	6679	0	25	26
A-D	0.0	22.3778	-87.4387	-65.0609	42	1	2	2788	0	14	22
A-J	-12.43	-2.8448	-56.9071	-72.1819	26	5	0	1923	0	8	4
A-E	-92.713	-0.5731	-175.612	-268.898	68	10	0	6846	0	25	27
A-F	0.0	36.4624	-9.9172	26.5452	4	0	0	128	0	0	3
G-D	-13.0603	-2.7624	-54.7926	-70.6153	25	3	0	1866	0	8	3
G-J	-13.8154	9.1891	-18.8899	-23.5163	14	2	0	740	0	2	2
B-H	-26.8	26.233	-214.017	-214.584	56	9	8	7520	1	9	9
B-C	0.0	21.6089	-87.8303	-66.2214	42	1	2	2766	0	15	22
B-I	-20.8597	-2.8176	-62.7505	-86.4278	29	3	0	2067	0	10	9
B-D	-77.3235	0.1143	-163.069	-240.2782	66	8	0	6506	0	25	25
B-E	0.0	37.255	-9.802	27.453	4	0	0	126	0	0	3
B-F	-82.9312	0.8541	-166.771	-248.848	68	6	0	6511	0	25	26
H-C	-13.9865	-2.8495	-61.6685	-78.5046	29	3	0	2063	0	10	9
H-I	0.0	9.3047	-16.9447	-7.64	14	1	0	698	0	2	2
C-I	-36.4411	26.2402	-213.319	-223.5199	56	8	8	7554	1	9	9
C-D	0.0	38.5265	-9.9121	28.6144	4	0	0	122	0	0	3
C-E	-81.446	-0.0793	-176.408	-257.9333	68	8	0	6725	0	25	27
C-F	0.0	0.0	-0.0059	-0.0059	2	0	0	5	0	0	0
D-J	-38.7713	26.1041	-212.145	-224.8122	55	8	8	7320	1	7	6
D-E	0.0	0.0	-0.0082	-0.0082	2	0	0	7	0	0	0
D-F	-86.0988	-0.4512	-161.4	-247.95	67	8	0	6478	0	25	26
E-K	-26.9915	26.1024	-215.469	-216.3582	57	7	8	7530	1	9	9
E-F	0.0	21.8272	-82.4362	-60.609	43	1	2	2669	0	14	22
E-L	-11.4671	-2.837	-51.1938	-65.4978	25	3	0	1818	0	8	3
K-F	-17.0856	-2.8312	-59.2674	-79.1842	28	3	0	1989	0	10	8
K-L	-13.919	9.0023	-16.8131	-21.7298	13	1	0	685	0	2	2
F-L	-39.332	26.2198	-212.291	-225.4032	55	8	8	7296	1	7	6

Interface residues

• A-G: ALA157A, ALA208A, ALA231A, ALA252A, ARG210A, ASP156A, ASP232A, ASP298G, ASP41A, GLN125A, GLN131A, GLN38A, GLU124A, GLU130A, GLU256A, GLY127A, GLY293G, HIS44A, ILE128A, ILE255A, ILE297G, LEU126A, LEU209A, LEU212A, LEU235A, LEU251A, LEU47A, LYS254A, LYS291G, LYS295G, MET294G, MET40A, PHE207A, PHE215A, PHE300G, PHE301G, PRO129A, PRO234A, PRO253A, SER292G, SER296G, SER39A, SER43A, SER46A, THR206A, THR299G, TYR133A, TYR211A, TYR249A, TYR250A, VAL158A, VAL233A, VAL236A, VAL45A, VAL48A
• A-B: LYS117A, LYS117B
• A-C: ALA100A, ALA105A, ALA171C, ALA194C, ALA82A, ARG146C, ARG149C, ASN107A, ASN177C, ASN179C, ASN71A, ASN84A, ASP113A, ASP150C, ASP86A, CYS81A, GLN108A, GLN184C, GLU109A, GLU115A, GLU143C, GLU174C, GLU85A, GLY155C, GLY166C, GLY173C, GLY176C, GLY178C, GLY83A, HIS153C, ILE147C, ILE154C, ILE180C, ILE78A, LEU101A, LEU118A, LEU151C, LEU175C, LEU182C, LEU79A, LEU99A, LYS110A, LYS117A, LYS13A, LYS168C, LYS181C, LYS77A, LYS80A, MET116A, MET119A, MET75A, PHE103A, PHE169C, PRO140C, SER112A, SER152C, SER170C, SER172C, SER183C, SER74A, SER76A, THR73A, THR98A, TYR114A, VAL102A, VAL111A, VAL167C, VAL195C
• A-D: ALA252A, ALA252D, ARG210A, ARG210D, ASP122A, ASP122D, ASP41A, ASP41D, GLN125A, GLN125D, GLU124A, GLU124D, GLU174A, GLU174D, GLU256A, GLU256D, GLU25A, GLU25D, HIS44A, HIS44D, ILE255A, ILE255D, LEU121A, LEU121D, LEU126A, LEU126D, LYS117A, LYS117D, LYS254A, LYS254D, MET40A, MET40D, SER42A, SER42D, SER43A, SER43D, TYR211A, TYR211D, VAL123A, VAL123D, VAL45A, VAL45D
• A-J: ASP120A, ASP122A, ASP298J, ASP41A, GLU124A, GLU25A, GLY293J, GLY69A, HIS44A, ILE255A, ILE297J, LEU121A, LEU126A, LYS291J, LYS295J, MET119A, MET294J, MET40A, PHE300J, SER292J, SER296J, SER42A, SER43A, THR299J, VAL123A, VAL45A
• A-E: ALA100E, ALA105E, ALA171A, ALA194A, ALA82E, ARG146A, ARG149A, ASN107E, ASN177A, ASN179A, ASN71E, ASN84E, ASP113E, ASP150A, ASP86E, CYS81E, GLN108E, GLN184A, GLU109E, GLU115E, GLU143A, GLU174A, GLU85E, GLY155A, GLY166A, GLY173A, GLY176A, GLY178A, GLY83E, HIS153A, ILE147A, ILE154A, ILE180A, ILE78E, LEU101E, LEU118E, LEU151A, LEU175A, LEU182A, LEU79E, LEU99E, LYS110E, LYS117E, LYS13E, LYS168A, LYS181A, LYS77E, LYS80E, MET116E, MET119E, MET75E, PHE103E, PHE169A, PRO140A, SER112E, SER152A, SER170A, SER172A, SER183A, SER74E, SER76E, THR73E, THR98E, TYR114E, VAL102E, VAL111E, VAL167A, VAL195A
• A-F: GLU174A, GLU174F, LEU175A, LEU175F
• G-D: ASP120D, ASP122D, ASP298G, GLU124D, GLU25D, GLY293G, GLY69D, HIS44D, ILE255D, ILE297G, LEU121D, LEU126D, LYS291G, LYS295G, MET119D, MET294G, MET40D, PHE300G, SER292G, SER296G, SER42D, SER43D, THR299G, VAL123D, VAL45D
• G-J: ASP298G, ASP298J, ILE297G, ILE297J, LYS295G, LYS295J, MET294G, MET294J, PHE301G, PHE301J, SER296G, SER296J, THR299G, THR299J
• B-H: ALA157B, ALA208B, ALA231B, ALA252B, ARG210B, ASP156B, ASP232B, ASP290H, ASP298H, ASP41B, GLN125B, GLN131B, GLN38B, GLU124B, GLU130B, GLU256B, GLY127B, GLY293H, HIS44B, ILE128B, ILE255B, ILE297H, LEU126B, LEU209B, LEU212B, LEU235B, LEU251B, LEU47B, LYS254B, LYS291H, LYS295H, MET294H, MET40B, PHE207B, PHE215B, PHE300H, PHE301H, PRO129B, PRO234B, PRO253B, SER292H, SER296H, SER39B, SER43B, SER46B, THR206B, THR299H, TYR133B, TYR211B, TYR249B, TYR250B, VAL158B, VAL233B, VAL236B, VAL45B, VAL48B
• B-C: ALA252B, ALA252C, ARG210B, ARG210C, ASP122B, ASP122C, ASP41B, ASP41C, GLN125B, GLN125C, GLU124B, GLU124C, GLU174B, GLU174C, GLU256B, GLU256C, GLU25B, GLU25C, HIS44B, HIS44C, ILE255B, ILE255C, LEU121B, LEU121C, LEU126B, LEU126C, LYS117B, LYS117C, LYS254B, LYS254C, MET40B, MET40C, SER42B, SER42C, SER43B, SER43C, TYR211B, TYR211C, VAL123B, VAL123C, VAL45B, VAL45C
• B-I: ASN24B, ASN71B, ASP120B, ASP122B, ASP290I, ASP298I, ASP41B, GLU124B, GLU25B, GLY293I, GLY69B, HIS44B, ILE255B, ILE297I, LEU121B, LEU126B, LYS291I, LYS295I, MET119B, MET294I, MET40B, PHE300I, SER292I, SER296I, SER42B, SER43B, THR299I, VAL123B, VAL45B
• B-D: ALA100B, ALA105B, ALA171D, ALA194D, ALA82B, ARG146D, ARG149D, ASN177D, ASN179D, ASN71B, ASN84B, ASP113B, ASP150D, ASP86B, CYS81B, GLN108B, GLN184D, GLU109B, GLU115B, GLU143D, GLU174D, GLU85B, GLY155D, GLY173D, GLY176D, GLY178D, GLY83B, HIS153D, ILE147D, ILE154D, ILE180D, ILE78B, LEU101B, LEU118B, LEU151D, LEU175D, LEU182D, LEU79B, LEU99B, LYS110B, LYS117B, LYS13B, LYS168D, LYS181D, LYS77B, LYS80B, MET116B, MET119B, MET75B, PHE103B, PHE169D, PRO140D, SER112B, SER152D, SER170D, SER172D, SER183D, SER74B, SER76B, THR73B, THR98B, TYR114B, VAL102B, VAL111B, VAL167D, VAL195D
• B-E: GLU174B, GLU174E, LEU175B, LEU175E
• B-F: ALA100F, ALA105F, ALA171B, ALA194B, ALA82F, ARG146B, ARG149B, ASN107F, ASN177B, ASN179B, ASN71F, ASN84F, ASP113F, ASP150B, ASP86F, CYS81F, GLN108F, GLN184B, GLU109F, GLU115F, GLU143B, GLU174B, GLU85F, GLY155B, GLY166B, GLY173B, GLY176B, GLY178B, GLY83F, HIS153B, ILE147B, ILE154B, ILE180B, ILE78F, LEU101F, LEU118F, LEU151B, LEU175B, LEU182B, LEU79F, LEU99F, LYS110F, LYS117F, LYS13F, LYS168B, LYS181B, LYS77F, LYS80F, MET116F, MET119F, MET75F, PHE103F, PHE169B, PRO140B, SER112F, SER152B, SER170B, SER172B, SER183B, SER74F, SER76F, THR73F, THR98F, TYR114F, VAL102F, VAL111F, VAL167B, VAL195B
• H-C: ASN24C, ASN71C, ASP120C, ASP122C, ASP290H, ASP298H, ASP41C, GLU124C, GLU25C, GLY293H, GLY69C, HIS44C, ILE255C, ILE297H, LEU121C, LEU126C, LYS291H, LYS295H, MET119C, MET294H, MET40C, PHE300H, SER292H, SER296H, SER42C, SER43C, THR299H, VAL123C, VAL45C
• H-I: ASP298H, ASP298I, ILE297H, ILE297I, LYS295H, LYS295I, MET294H, MET294I, PHE301H, PHE301I, SER296H, SER296I, THR299H, THR299I
• C-I: ALA157C, ALA208C, ALA231C, ALA252C, ARG210C, ASP156C, ASP232C, ASP290I, ASP298I, ASP41C, GLN125C, GLN131C, GLN38C, GLU124C, GLU130C, GLU256C, GLY127C, GLY293I, HIS44C, ILE128C, ILE255C, ILE297I, LEU126C, LEU209C, LEU212C, LEU235C, LEU251C, LEU47C, LYS254C, LYS291I, LYS295I, MET294I, MET40C, PHE207C, PHE215C, PHE300I, PHE301I, PRO129C, PRO234C, PRO253C, SER292I, SER296I, SER39C, SER43C, SER46C, THR206C, THR299I, TYR133C, TYR211C, TYR249C, TYR250C, VAL158C, VAL233C, VAL236C, VAL45C, VAL48C
• C-D: GLU174C, GLU174D, LEU175C, LEU175D
• C-E: ALA100C, ALA105C, ALA171E, ALA194E, ALA82C, ARG146E, ARG149E, ASN107C, ASN177E, ASN179E, ASN71C, ASN84C, ASP113C, ASP150E, ASP86C, CYS81C, GLN108C, GLN184E, GLU109C, GLU115C, GLU143E, GLU174E, GLU85C, GLY155E, GLY166E, GLY173E, GLY176E, GLY178E, GLY83C, HIS153E, ILE147E, ILE154E, ILE180E, ILE78C, LEU101C, LEU118C, LEU151E, LEU175E, LEU182E, LEU79C, LEU99C, LYS110C, LYS117C, LYS13C, LYS168E, LYS181E, LYS77C, LYS80C, MET116C, MET119C, MET75C, PHE103C, PHE169E, PRO140E, SER112C, SER152E, SER170E, SER172E, SER183E, SER74C, SER76C, THR73C, THR98C, TYR114C, VAL102C, VAL111C, VAL167E, VAL195E
• C-F: LYS117C, LYS117F
• D-J: ALA157D, ALA208D, ALA231D, ALA252D, ARG210D, ASP156D, ASP232D, ASP298J, ASP41D, GLN125D, GLN131D, GLN38D, GLU124D, GLU130D, GLU256D, GLY127D, GLY293J, HIS44D, ILE128D, ILE255D, ILE297J, LEU126D, LEU209D, LEU212D, LEU235D, LEU251D, LEU47D, LYS254D, LYS291J, LYS295J, MET294J, MET40D, PHE207D, PHE215D, PHE300J, PHE301J, PRO129D, PRO234D, PRO253D, SER292J, SER296J, SER39D, SER43D, SER46D, THR206D, THR299J, TYR133D, TYR211D, TYR249D, TYR250D, VAL158D, VAL233D, VAL236D, VAL45D, VAL48D
• D-E: LYS117D, LYS117E
• D-F: ALA100D, ALA105D, ALA171F, ALA194F, ALA82D, ARG146F, ARG149F, ASN177F, ASN179F, ASN71D, ASN84D, ASP113D, ASP150F, ASP86D, CYS81D, GLN108D, GLN184F, GLU109D, GLU115D, GLU143F, GLU174F, GLU85D, GLY155F, GLY166F, GLY173F, GLY176F, GLY178F, GLY83D, HIS153F, ILE147F, ILE154F, ILE180F, ILE78D, LEU101D, LEU118D, LEU151F, LEU175F, LEU182F, LEU79D, LEU99D, LYS110D, LYS117D, LYS13D, LYS168F, LYS181F, LYS77D, LYS80D, MET116D, MET119D, MET75D, PHE103D, PHE169F, PRO140F, SER112D, SER152F, SER170F, SER172F, SER183F, SER74D, SER76D, THR73D, THR98D, TYR114D, VAL102D, VAL111D, VAL167F, VAL195F
• E-K: ALA157E, ALA208E, ALA231E, ALA252E, ARG210E, ASP156E, ASP232E, ASP290K, ASP298K, ASP41E, GLN125E, GLN131E, GLN38E, GLU124E, GLU130E, GLU256E, GLY127E, GLY155E, GLY293K, HIS44E, ILE128E, ILE255E, ILE297K, LEU126E, LEU209E, LEU212E, LEU235E, LEU251E, LEU47E, LYS254E, LYS291K, LYS295K, MET294K, MET40E, PHE207E, PHE215E, PHE300K, PHE301K, PRO129E, PRO234E, PRO253E, SER292K, SER296K, SER39E, SER43E, SER46E, THR206E, THR299K, TYR133E, TYR211E, TYR249E, TYR250E, VAL158E, VAL233E, VAL236E, VAL45E, VAL48E
• E-F: ALA252E, ALA252F, ARG210E, ARG210F, ASN71F, ASP122E, ASP122F, ASP41E, ASP41F, GLN125E, GLN125F, GLU124E, GLU124F, GLU174E, GLU174F, GLU256E, GLU256F, GLU25E, GLU25F, HIS44E, HIS44F, ILE255E, ILE255F, LEU121E, LEU121F, LEU126E, LEU126F, LYS117E, LYS117F, LYS254E, LYS254F, MET40E, MET40F, SER42E, SER42F, SER43E, SER43F, TYR211E, TYR211F, VAL123E, VAL123F, VAL45E, VAL45F
• E-L: ASP120E, ASP122E, ASP298L, GLU124E, GLU25E, GLY293L, GLY69E, HIS44E, ILE255E, ILE297L, LEU121E, LEU126E, LYS291L, LYS295L, MET119E, MET294L, MET40E, PHE300L, SER292L, SER296L, SER42E, SER43E, THR299L, VAL123E, VAL45E
• K-F: ASN24F, ASN71F, ASP120F, ASP122F, ASP290K, ASP298K, GLU124F, GLU25F, GLY293K, GLY69F, HIS44F, ILE255F, ILE297K, LEU121F, LEU126F, LYS291K, LYS295K, MET119F, MET294K, MET40F, PHE300K, SER292K, SER296K, SER42F, SER43F, THR299K, VAL123F, VAL45F
• K-L: ASP298K, ASP298L, ILE297K, ILE297L, LYS295K, LYS295L, MET294K, MET294L, PHE301K, SER296K, SER296L, THR299K, THR299L
• F-L: ALA157F, ALA208F, ALA231F, ALA252F, ARG210F, ASP156F, ASP232F, ASP298L, ASP41F, GLN125F, GLN131F, GLN38F, GLU124F, GLU130F, GLU256F, GLY127F, GLY293L, HIS44F, ILE128F, ILE255F, ILE297L, LEU126F, LEU209F, LEU212F, LEU235F, LEU251F, LEU47F, LYS254F, LYS291L, LYS295L, MET294L, MET40F, PHE207F, PHE215F, PHE300L, PHE301L, PRO129F, PRO234F, PRO253F, SER292L, SER296L, SER39F, SER43F, SER46F, THR206F, THR299L, TYR133F, TYR211F, TYR249F, TYR250F, VAL158F, VAL233F, VAL236F, VAL45F, VAL48F