3HPG

visna virus integrase (residues 1-219) in complex with ledgf ibd: examples of open integrase dimer-dimer interfaces

• Total interactions analyzed: 66
• Total true interactions: 26
• Strongest Interaction:
  • Chains: E-K
  • Int. Res.: 23
  • Norm. En. per Res.: -4.8882
• Hub Node: A(6)

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	0.0	-26.2118	-286.061	-312.2728	141	13	13	13617	4	22	22
A-E	0.0	0.0	-31.0904	-31.0904	17	3	0	1050	0	3	1
A-F	-14.6122	-44.3808	-339.342	-398.335	156	23	0	14714	2	39	48
A-G	-28.0251	2.7542	-64.4684	-89.7393	23	3	1	2171	0	2	2
A-H	-7.7709	-1.0906	-55.5012	-64.3627	30	4	4	2839	0	8	8
A-L	0.0	-2.5639	-0.5178	-3.0818	13	0	0	128	0	11	7
B-F	0.0	0.0	-42.2003	-42.2003	28	4	1	1557	0	3	1
B-G	-12.3926	-1.1246	-63.1525	-76.6698	34	8	5	3433	0	9	9
B-H	-39.9199	3.839	-76.9254	-113.0063	25	4	1	2298	0	2	2
C-D	-9.4217	-30.588	-339.905	-379.9148	167	25	13	16141	5	33	39
C-E	0.0	0.0	-30.0693	-30.0693	17	1	0	1067	0	3	1
C-I	-30.7558	2.8076	-68.7325	-96.6807	23	3	1	2266	0	2	3
C-J	-10.8439	-1.7203	-67.7825	-80.3467	32	6	3	3067	0	8	8
C-K	0.0	0.0	-5.905	-5.905	10	0	0	291	0	3	0
D-E	-13.1511	-48.6486	-299.861	-361.6606	125	22	0	13419	3	39	47
D-F	0.0	0.0	-29.2951	-29.2951	16	2	0	1022	0	3	1
D-I	0.0	-7.035	-58.8232	-65.8582	32	3	4	2923	0	9	7
D-J	-34.8448	3.8044	-72.421	-103.4614	23	7	1	2263	0	2	2
D-K	0.0	-0.7928	-0.4833	-1.2761	7	0	0	107	0	11	3
E-F	-11.0005	-29.6975	-319.826	-360.5241	163	19	15	15594	3	24	33
E-J	0.0	0.0	-0.4076	-0.4076	6	0	0	97	0	9	3
E-K	-41.5679	3.8428	-74.7031	-112.4282	23	5	1	2234	0	2	2
E-L	-8.7824	-1.4307	-60.708	-70.9211	32	2	4	2993	0	8	8
F-G	0.0	-0.8544	-0.8099	-1.6643	10	0	0	149	0	12	5
F-K	-7.4291	-1.1177	-64.3283	-72.8751	34	3	5	3127	0	7	8
F-L	-29.8673	3.9794	-77.8012	-103.6891	23	9	1	2386	0	2	2

Interface residues

• A-B: ALA108A, ALA108B, ALA111A, ALA111B, ALA173A, ALA173B, ALA177A, ALA177B, ALA179A, ALA179B, ALA88A, ALA88B, ARG100A, ARG100B, ARG209A, ARG209B, ARG30A, ARG90A, ARG90B, ASN172A, ASN172B, ASN186A, ASN186B, ASN204A, ASN204B, ASN4B, ASP199A, ASP199B, GLN102A, GLN102B, GLN207A, GLN207B, GLN208A, GLN208B, GLN97A, GLN97B, GLU175A, GLU175B, GLU206A, GLU206B, GLU89A, GLU89B, GLU98A, GLU98B, GLY136A, GLY136B, GLY180A, GLY180B, GLY194A, GLY194B, GLY27B, HIS23A, ILE137A, ILE137B, ILE183A, ILE183B, ILE187A, ILE187B, ILE200A, ILE200B, ILE202A, ILE202B, ILE210A, ILE210B, ILE28B, ILE5B, ILE86A, ILE86B, LEU131A, LEU131B, LEU135A, LEU135B, LEU167A, LEU167B, LEU178A, LEU178B, LEU182A, LEU182B, LEU185B, LEU193A, LEU193B, LEU24A, LEU85A, LEU85B, LYS105A, LYS105B, LYS188A, LYS188B, LYS190A, LYS190B, LYS205A, LYS205B, LYS92A, LYS92B, MET104A, MET104B, MET109A, MET109B, MET170A, MET170B, MET198A, MET198B, PHE110A, PHE110B, PHE171A, PHE171B, PHE174A, PHE174B, PHE201A, PHE201B, PHE203A, PHE203B, PHE26B, PRO112A, PRO112B, PRO29A, PRO29B, SER176A, SER176B, SER196A, SER196B, THR103A, THR103B, THR181A, THR181B, THR184A, THR184B, THR195A, THR195B, TRP106A, TRP106B, TRP63A, TRP63B, TYR107A, TYR107B, TYR134A, TYR134B, TYR87A, TYR87B, VAL101A, VAL101B
• A-E: ALA108E, ASN13A, GLU10A, GLU11A, GLY136E, HIS12A, HIS16A, LEU130E, LEU131E, LEU135E, LYS133E, LYS14A, MET104E, MET132E, TRP15A, TYR107E, TYR134E
• A-F: ALA151A, ALA151F, ALA177A, ALA177F, ALA179A, ALA179F, ALA19A, ARG155A, ARG155F, ARG189A, ARG189F, ARG30A, ARG58F, ASN13A, ASN13F, ASN146F, ASN162A, ASN162F, ASN204A, ASN204F, ASN46A, ASN46F, ASN82A, ASN82F, ASP18A, ASP18F, ASP41A, ASP41F, CYS40A, CYS40F, CYS43A, CYS43F, GLN116A, GLN148A, GLN148F, GLN158A, GLN158F, GLN17A, GLN17F, GLN207F, GLN44A, GLN44F, GLU10A, GLU10F, GLU11A, GLU11F, GLU165A, GLU165F, GLU25A, GLU25F, GLU45A, GLU45F, GLU80A, GLY180A, GLY180F, GLY191A, GLY191F, GLY192A, GLY192F, GLY194A, GLY194F, GLY59A, GLY59F, GLY84A, GLY84F, HIS12A, HIS12F, HIS16A, HIS16F, HIS23A, HIS23F, HIS62A, ILE143F, ILE183A, ILE183F, ILE187A, ILE187F, ILE200A, ILE200F, ILE60A, ILE60F, LEU152A, LEU164A, LEU167A, LEU167F, LEU182A, LEU182F, LEU185A, LEU185F, LEU193A, LEU193F, LEU22A, LEU22F, LEU24A, LEU24F, LYS14A, LYS14F, LYS161A, LYS161F, LYS166A, LYS166F, LYS188A, LYS188F, LYS190A, LYS190F, LYS47A, LYS47F, MET170A, MET170F, MET48A, MET48F, PHE171A, PHE171F, PHE201F, PHE203A, PHE203F, PHE26A, PHE26F, PRO144F, PRO147F, PRO169A, PRO169F, PRO197A, PRO197F, PRO49F, SER149A, SER176A, SER176F, SER196A, SER196F, SER21A, SER21F, SER83A, SER83F, THR159A, THR159F, THR163A, THR163F, THR181A, THR181F, THR184A, THR184F, THR195A, THR195F, THR81A, TRP145F, TRP15A, TRP15F, VAL153A, VAL20A, VAL20F, VAL37A, VAL37F, VAL42A, VAL42F, VAL79A
• A-G: ALA173A, ALA177A, ALA179A, ARG372G, ASN172A, ASN361G, ASN367G, ASP366G, GLU175A, ILE168A, ILE365G, LEU167A, LEU363G, LEU368G, LYS360G, LYS364G, LYS402G, MET170A, PHE171A, PHE174A, PRO169A, SER176A, SER362G
• A-H: ARG100A, ARG372H, ASN361H, ASN367H, ASN371H, ASP366H, ASP369H, GLN102A, GLN97A, GLU126A, GLU98A, GLY96A, ILE365H, LEU130A, LEU131A, LEU135A, LEU368H, LYS133A, LYS364H, MET104A, PHE406H, SER127A, SER362H, SER409H, THR103A, THR128A, TYR134A, VAL101A, VAL370H, VAL408H
• A-L: ARG405L, ASN13A, ASP41A, GLU10A, GLU9A, HIS16A, ILE365L, LYS14A, LYS402L, LYS407L, TRP15A, VAL408L, VAL42A
• B-F: ALA108B, ARG209B, ASN13F, GLN207B, GLN211B, GLN212B, GLU10F, GLU11F, GLY136B, GLY191F, GLY192F, GLY194F, HIS12F, HIS16F, ILE210B, LEU130B, LEU131B, LEU135B, LEU193F, LYS133B, LYS14F, MET104B, MET132B, PRO29B, THR31B, TRP15F, TYR107B, TYR134B
• B-G: ARG100B, ARG372G, ASN367G, ASN371G, ASP366G, ASP369G, GLN102B, GLN129B, GLN97B, GLU126B, GLU98B, GLY96B, ILE365G, ILE412G, LEU130B, LEU131B, LEU135B, LEU363G, LEU368G, LYS133B, LYS364G, MET104B, MET132B, PHE406G, PHE99B, SER127B, SER362G, SER409G, THR103B, THR128B, TYR134B, VAL101B, VAL370G, VAL408G
• B-H: ALA173B, ALA177B, ALA179B, ARG372H, ASN172B, ASN361H, ASN367H, ASP366H, ASP369H, GLU175B, GLY180B, ILE168B, ILE365H, LEU167B, LEU363H, LEU368H, LYS360H, LYS364H, LYS402H, MET170B, PHE171B, PHE174B, PRO169B, SER176B, SER362H
• C-D: ALA108C, ALA108D, ALA111C, ALA111D, ALA173C, ALA173D, ALA177C, ALA177D, ALA179C, ALA179D, ALA32C, ALA32D, ALA33C, ALA33D, ALA88C, ALA88D, ARG100C, ARG100D, ARG209C, ARG209D, ARG30C, ARG30D, ARG90C, ARG90D, ASN13D, ASN172C, ASN172D, ASN186C, ASN186D, ASN204C, ASN204D, ASN4D, ASP199C, ASP199D, ASP35C, ASP35D, CYS40D, GLN102C, GLN102D, GLN207C, GLN207D, GLN208C, GLN208D, GLN211C, GLN212C, GLN38C, GLN38D, GLN39C, GLN39D, GLN44C, GLN97C, GLN97D, GLU175C, GLU175D, GLU206C, GLU206D, GLU34C, GLU34D, GLU3D, GLU89C, GLU89D, GLU98C, GLU98D, GLU9D, GLY136C, GLY136D, GLY180C, GLY180D, GLY194C, GLY194D, HIS23C, HIS23D, ILE137C, ILE137D, ILE183C, ILE183D, ILE187C, ILE187D, ILE200C, ILE200D, ILE202C, ILE202D, ILE210C, ILE210D, ILE28C, ILE28D, ILE36D, ILE5D, ILE86C, ILE86D, LEU131C, LEU131D, LEU135C, LEU135D, LEU167C, LEU167D, LEU178C, LEU178D, LEU182C, LEU182D, LEU193C, LEU193D, LEU22D, LEU85C, LEU85D, LYS105C, LYS105D, LYS188C, LYS188D, LYS190C, LYS190D, LYS205C, LYS205D, LYS92C, LYS92D, MET104C, MET104D, MET109C, MET109D, MET170C, MET170D, MET198C, MET198D, PHE110C, PHE110D, PHE171C, PHE171D, PHE174C, PHE174D, PHE201C, PHE201D, PHE203C, PHE203D, PRO112C, PRO112D, PRO29C, PRO29D, PRO6D, SER176C, SER176D, SER196C, SER196D, THR103C, THR103D, THR181C, THR181D, THR184C, THR184D, THR195C, THR195D, THR31C, THR31D, TRP106C, TRP106D, TRP63C, TRP63D, TYR107C, TYR107D, TYR134C, TYR134D, TYR87C, TYR87D, VAL101C, VAL101D, VAL20C, VAL2D, VAL37D
• C-E: ALA108C, ASN13E, GLU10E, GLU11E, GLY136C, HIS12E, HIS16E, LEU130C, LEU131C, LEU135C, LYS133C, LYS14E, MET104C, MET132C, TRP15E, TYR107C, TYR134C
• C-I: ALA173C, ALA177C, ALA179C, ARG372I, ASN172C, ASN361I, ASN367I, ASP366I, GLU175C, ILE168C, ILE365I, LEU167C, LEU363I, LEU368I, LYS360I, LYS364I, LYS402I, MET170C, PHE171C, PHE174C, PRO169C, SER176C, SER362I
• C-J: ARG100C, ARG372J, ASN361J, ASN367J, ASN371J, ASP366J, ASP369J, GLN102C, GLN97C, GLU126C, GLU98C, GLY96C, ILE365J, LEU130C, LEU131C, LEU135C, LEU363J, LEU368J, LYS133C, LYS364J, MET104C, PHE406J, PHE99C, SER127C, SER362J, SER409J, THR103C, THR128C, TYR134C, VAL101C, VAL370J, VAL408J
• C-K: ALA32C, ARG404K, ARG405K, ASN4C, GLU9C, ILE36C, ILE5C, LYS401K, PRO29C, PRO6C
• D-E: ALA151E, ALA177D, ALA177E, ALA179D, ALA179E, ARG155D, ARG155E, ARG189D, ARG189E, ARG30E, ASN13D, ASN13E, ASN162D, ASN162E, ASN46D, ASN46E, ASP18D, ASP18E, ASP41D, ASP41E, CYS40D, CYS40E, CYS43D, CYS43E, GLN148D, GLN158D, GLN158E, GLN17D, GLN17E, GLN44D, GLN44E, GLU10D, GLU10E, GLU11D, GLU11E, GLU165D, GLU165E, GLU25D, GLU25E, GLU45D, GLU45E, GLY180D, GLY180E, GLY191D, GLY191E, GLY192D, GLY192E, GLY194D, GLY194E, GLY27E, HIS12D, HIS12E, HIS16D, HIS16E, HIS23D, HIS23E, ILE183D, ILE183E, ILE187D, ILE187E, LEU164D, LEU164E, LEU167D, LEU167E, LEU182D, LEU182E, LEU185D, LEU185E, LEU193D, LEU193E, LEU22D, LEU22E, LEU24D, LEU24E, LYS14D, LYS14E, LYS161D, LYS161E, LYS166D, LYS166E, LYS188D, LYS188E, LYS190D, LYS190E, LYS47D, LYS47E, MET170D, MET170E, MET48D, MET48E, PHE171D, PHE171E, PHE26D, PHE26E, PRO169D, PRO169E, PRO197D, PRO197E, PRO49D, PRO49E, SER176D, SER176E, SER196D, SER196E, SER21D, SER21E, THR159D, THR159E, THR163D, THR163E, THR181D, THR181E, THR184D, THR184E, THR195D, THR195E, TRP15D, TRP15E, TYR70D, VAL20D, VAL20E, VAL37D, VAL37E, VAL42D, VAL42E
• D-F: ALA108F, ASN13D, GLU10D, GLU11D, GLY136F, HIS16D, LEU130F, LEU131F, LEU135F, LYS133F, LYS14D, MET104F, MET132F, TRP15D, TYR107F, TYR134F
• D-I: ARG100D, ARG372I, ASN367I, ASN371I, ASP366I, ASP369I, GLN102D, GLN97D, GLU126D, GLU98D, GLY96D, ILE365I, LEU130D, LEU131D, LEU135D, LEU363I, LEU368I, LYS133D, LYS364I, MET104D, MET132D, PHE406I, PHE99D, SER127D, SER362I, SER409I, THR103D, THR128D, TYR134D, VAL101D, VAL370I, VAL408I
• D-J: ALA173D, ALA177D, ALA179D, ARG372J, ASN172D, ASN361J, ASN367J, ASP366J, GLU175D, ILE168D, ILE365J, LEU167D, LEU363J, LEU368J, LYS360J, LYS364J, LYS402J, MET170D, PHE171D, PHE174D, PRO169D, SER176D, SER362J
• D-K: ASN13D, GLU10D, ILE365K, LYS14D, LYS402K, LYS407K, TRP15D
• E-F: ALA108E, ALA108F, ALA111E, ALA111F, ALA173E, ALA173F, ALA177E, ALA177F, ALA179E, ALA179F, ALA32E, ALA32F, ALA33E, ALA33F, ALA88E, ALA88F, ARG100E, ARG100F, ARG209E, ARG209F, ARG30E, ARG30F, ARG90E, ARG90F, ASN172E, ASN172F, ASN186E, ASN186F, ASN204E, ASN204F, ASP199E, ASP199F, ASP35E, ASP35F, GLN102E, GLN102F, GLN207E, GLN207F, GLN208E, GLN208F, GLN211F, GLN212E, GLN212F, GLN39E, GLN39F, GLN97E, GLN97F, GLU175E, GLU175F, GLU206E, GLU206F, GLU34E, GLU3E, GLU3F, GLU89E, GLU89F, GLU98E, GLU98F, GLY136E, GLY136F, GLY180E, GLY180F, GLY194E, GLY194F, GLY27E, GLY27F, HIS23E, HIS23F, ILE137E, ILE183E, ILE183F, ILE187E, ILE187F, ILE200E, ILE200F, ILE202E, ILE202F, ILE210E, ILE210F, ILE28E, ILE28F, ILE36E, ILE5E, ILE5F, ILE86E, ILE86F, LEU131E, LEU131F, LEU135E, LEU135F, LEU167E, LEU167F, LEU178E, LEU178F, LEU182E, LEU182F, LEU185E, LEU185F, LEU193E, LEU193F, LEU85E, LEU85F, LYS105E, LYS105F, LYS188E, LYS188F, LYS190E, LYS190F, LYS205E, LYS205F, LYS92E, LYS92F, MET104E, MET104F, MET109E, MET109F, MET170E, MET170F, MET198E, MET198F, PHE110E, PHE110F, PHE171E, PHE171F, PHE174E, PHE174F, PHE201E, PHE201F, PHE203E, PHE203F, PRO112E, PRO112F, PRO29E, PRO29F, PRO6F, SER176E, SER176F, SER196E, SER196F, THR103E, THR103F, THR181E, THR181F, THR184E, THR184F, THR195E, THR195F, THR31E, THR31F, TRP106E, TRP106F, TRP63E, TRP63F, TYR107E, TYR107F, TYR134E, TYR134F, TYR87E, TYR87F, VAL101E, VAL101F, VAL2E, VAL2F
• E-J: ASN13E, GLU10E, ILE365J, LYS14E, LYS407J, TRP15E
• E-K: ALA173E, ALA177E, ALA179E, ARG372K, ASN172E, ASN361K, ASN367K, ASP366K, GLU175E, ILE168E, ILE365K, LEU167E, LEU363K, LEU368K, LYS360K, LYS364K, LYS402K, MET170E, PHE171E, PHE174E, PRO169E, SER176E, SER362K
• E-L: ARG100E, ARG372L, ASN361L, ASN367L, ASN371L, ASP366L, ASP369L, GLN102E, GLN97E, GLU126E, GLU98E, GLY96E, ILE365L, LEU130E, LEU131E, LEU135E, LEU363L, LEU368L, LYS133E, LYS364L, MET104E, PHE406L, PHE99E, SER127E, SER362L, SER409L, THR103E, THR128E, TYR134E, VAL101E, VAL370L, VAL408L
• F-G: ARG405G, ASN13F, GLU10F, GLU9F, ILE365G, LYS14F, LYS402G, LYS407G, TRP15F, VAL408G
• F-K: ARG100F, ARG372K, ASN367K, ASN371K, ASP366K, ASP369K, GLN102F, GLN129F, GLN97F, GLU126F, GLU98F, GLY96F, ILE365K, ILE412K, LEU130F, LEU131F, LEU135F, LEU363K, LEU368K, LYS133F, LYS364K, MET104F, MET132F, PHE406K, PHE99F, SER127F, SER362K, SER409K, THR103F, THR128F, TYR134F, VAL101F, VAL370K, VAL408K
• F-L: ALA173F, ALA177F, ALA179F, ARG372L, ASN172F, ASN361L, ASN367L, ASP366L, GLU175F, ILE168F, ILE365L, LEU167F, LEU363L, LEU368L, LYS360L, LYS364L, LYS402L, MET170F, PHE171F, PHE174F, PRO169F, SER176F, SER362L