3HPH

closed tetramer of visna virus integrase (residues 1-219) in complex with ledgf ibd

• Total interactions analyzed: 28
• Total true interactions: 16
• Strongest Interaction:
  • Chains: B-F
  • Int. Res.: 22
  • Norm. En. per Res.: -5.0117
• Hub Node: A(5)

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	-11.814	-33.068	-292.723	-337.6049	144	8	13	13958	1	25	25
A-C	-11.952	0.0	-33.5679	-45.5199	20	3	0	1192	0	3	1
A-D	0.0	0.0	-0.2234	-0.2234	4	0	0	36	0	0	0
A-E	-42.5591	-19.601	-79.3938	-141.554	44	6	1	3251	0	21	14
A-F	-16.5911	1.7198	-85.3675	-100.2388	39	8	6	3985	0	9	7
B-C	-29.7911	-34.1496	-334.734	-398.6747	142	11	3	14852	2	32	52
B-D	-11.8399	0.0	-33.4887	-45.3286	20	3	0	1196	0	3	1
B-E	-8.8876	-0.0346	-82.1372	-91.0593	37	2	6	3876	0	8	7
B-F	-38.4579	4.053	-75.8526	-110.2575	22	4	1	2387	0	2	4
B-G	0.0	-34.1796	-22.7544	-56.934	29	2	0	1478	1	22	12
C-D	-13.7506	-34.8948	-286.642	-335.2874	148	7	13	13908	1	25	25
C-F	-2.4233	-36.9472	-24.4848	-63.8553	28	3	0	1601	1	22	12
C-G	-36.0614	4.0349	-71.9839	-104.0104	23	4	1	2365	0	2	4
C-H	-21.0059	-0.395	-82.6234	-104.0243	37	4	6	3918	0	8	7
D-G	-22.137	1.9412	-84.0899	-104.2857	40	8	7	4040	0	9	7
D-H	-52.2102	-11.7124	-80.4053	-144.3279	45	7	1	3193	0	21	14

Interface residues

• A-B: ALA108A, ALA108B, ALA111A, ALA111B, ALA173A, ALA173B, ALA177A, ALA177B, ALA179A, ALA179B, ALA88A, ALA88B, ARG100A, ARG100B, ARG209A, ARG209B, ARG90A, ARG90B, ASN13A, ASN172A, ASN172B, ASN186A, ASN186B, ASN204A, ASN204B, ASP199A, ASP199B, ASP61A, GLN102A, GLN102B, GLN207A, GLN207B, GLN208A, GLN208B, GLN212A, GLN212B, GLN213A, GLN213B, GLN97A, GLN97B, GLU10A, GLU11A, GLU175A, GLU175B, GLU206A, GLU206B, GLU89A, GLU89B, GLU98A, GLU98B, GLY136A, GLY136B, GLY180A, GLY180B, GLY194A, GLY194B, HIS12A, HIS16A, ILE137A, ILE183A, ILE183B, ILE187A, ILE187B, ILE200A, ILE200B, ILE202A, ILE202B, ILE210A, ILE210B, ILE86A, ILE86B, LEU130B, LEU131A, LEU131B, LEU135A, LEU135B, LEU167A, LEU167B, LEU178A, LEU178B, LEU182A, LEU182B, LEU193A, LEU193B, LEU85A, LEU85B, LYS105A, LYS105B, LYS133B, LYS14A, LYS188A, LYS188B, LYS190A, LYS190B, LYS205A, LYS205B, LYS92A, LYS92B, MET104A, MET104B, MET109A, MET109B, MET132B, MET170A, MET170B, MET198A, MET198B, PHE110A, PHE110B, PHE171A, PHE171B, PHE174A, PHE174B, PHE201A, PHE201B, PHE203A, PHE203B, PRO112A, PRO112B, SER176A, SER176B, SER196A, SER196B, THR103A, THR103B, THR181A, THR181B, THR184A, THR184B, THR195A, THR195B, TRP106A, TRP106B, TRP15A, TRP63A, TRP63B, TYR107A, TYR107B, TYR134A, TYR134B, TYR87A, TYR87B, VAL101A, VAL101B
• A-C: ALA108A, ARG209A, ASN13C, GLN213A, GLU10C, GLU11C, GLU206A, GLY136A, HIS16C, ILE210A, LEU131A, LEU135A, LEU193C, LYS133A, LYS14C, MET104A, MET132A, TRP15C, TYR107A, TYR134A
• A-D: ARG209A, GLN213A, GLN213D, ILE210A
• A-E: ALA173A, ALA177A, ALA179A, ARG372E, ARG405E, ASN13A, ASN172A, ASN361E, ASN367E, ASP366E, ASP41A, GLU10A, GLU175A, GLU395E, GLU9A, GLY180A, HIS16A, ILE168A, ILE183A, ILE365E, ILE403E, LEU167A, LEU363E, LEU368E, LEU7A, LYS14A, LYS360E, LYS364E, LYS401E, LYS402E, LYS407E, MET170A, MET413E, PHE171A, PHE174A, PHE406E, PRO169A, PRO6A, SER176A, THR398E, THR399E, TRP15A, VAL408E, VAL42A
• A-F: ARG100A, ARG372F, ASN367F, ASN371F, ASP366F, ASP369F, GLN102A, GLN129A, GLN410F, GLN97A, GLU126A, GLU98A, GLY136A, GLY96A, ILE365F, ILE412F, LEU130A, LEU131A, LEU135A, LEU363F, LEU368F, LYS133A, LYS364F, LYS402F, LYS407F, MET104A, MET132A, PHE406F, PHE99A, SER127A, SER362F, SER409F, THR103A, THR128A, THR95A, TYR134A, VAL101A, VAL370F, VAL408F
• B-C: ALA151B, ALA151C, ALA177B, ALA177C, ALA179B, ALA179C, ARG155B, ARG155C, ARG189B, ARG189C, ARG58B, ARG58C, ASN13B, ASN13C, ASN162B, ASN162C, ASN204B, ASN204C, ASN56B, ASN56C, ASN82B, ASN82C, ASP18B, ASP18C, ASP199B, ASP199C, ASP41B, ASP41C, CYS40B, CYS40C, CYS43B, CYS43C, GLN148B, GLN148C, GLN150B, GLN150C, GLN158B, GLN158C, GLN17B, GLN17C, GLN207B, GLN207C, GLN44B, GLN44C, GLU11B, GLU11C, GLU154B, GLU154C, GLU165B, GLU165C, GLU25B, GLU25C, GLY180B, GLY180C, GLY191B, GLY191C, GLY192B, GLY192C, GLY194B, GLY194C, HIS12B, HIS12C, HIS16B, HIS16C, HIS23B, HIS23C, ILE168B, ILE168C, ILE183B, ILE183C, ILE187B, ILE187C, ILE200B, ILE200C, ILE60B, ILE60C, LEU152B, LEU152C, LEU167B, LEU167C, LEU182B, LEU182C, LEU185B, LEU185C, LEU193B, LEU193C, LEU22B, LEU22C, LEU24B, LEU24C, LYS14B, LYS14C, LYS166B, LYS166C, LYS188B, LYS188C, LYS190B, LYS190C, MET170B, MET170C, PHE171B, PHE171C, PHE201B, PHE201C, PHE203B, PHE203C, PHE26B, PHE26C, PRO169B, PRO169C, PRO197B, PRO197C, SER149B, SER149C, SER176B, SER176C, SER196B, SER196C, SER21B, SER21C, SER55B, SER55C, SER83B, SER83C, THR159B, THR159C, THR163B, THR163C, THR181B, THR181C, THR184B, THR184C, THR195B, THR195C, TRP15B, TRP15C, VAL20B, VAL20C, VAL37B, VAL37C, VAL42B, VAL42C
• B-D: ALA108D, ARG209D, ASN13B, GLN213D, GLU10B, GLU11B, GLU206D, GLY136D, HIS16B, ILE210D, LEU131D, LEU135D, LEU193B, LYS133D, LYS14B, MET104D, MET132D, TRP15B, TYR107D, TYR134D
• B-E: ARG100B, ASN367E, ASN371E, ASP366E, ASP369E, GLN102B, GLN129B, GLN410E, GLN97B, GLU126B, GLU98B, GLY96B, ILE365E, ILE412E, LEU130B, LEU131B, LEU135B, LEU363E, LEU368E, LYS133B, LYS364E, LYS402E, LYS407E, MET104B, MET132B, PHE406E, PHE99B, SER127B, SER362E, SER409E, THR103B, THR128B, THR95B, TYR134B, VAL101B, VAL370E, VAL408E
• B-F: ALA173B, ALA177B, ALA179B, ASN172B, ASN361F, ASN367F, ASP366F, GLU175B, ILE168B, ILE365F, LEU167B, LEU363F, LEU368F, LYS360F, LYS364F, LYS402F, MET170B, PHE171B, PHE174B, PHE406F, PRO169B, SER176B
• B-G: ARG404G, ARG405G, ASN13B, ASP41B, CYS40B, GLN39B, GLU10B, GLU11B, GLU9B, HIS12B, HIS16B, ILE365G, ILE403G, ILE5B, LEU368G, LEU7B, LYS14B, LYS360G, LYS401G, LYS402G, LYS407G, MET413G, PHE406G, PRO6B, THR398G, THR399G, TRP15B, VAL408G, VAL42B
• C-D: ALA108C, ALA108D, ALA111C, ALA111D, ALA173C, ALA173D, ALA177C, ALA177D, ALA179C, ALA179D, ALA88C, ALA88D, ARG100C, ARG100D, ARG209C, ARG209D, ARG90C, ARG90D, ASN13D, ASN172C, ASN172D, ASN186C, ASN186D, ASN204C, ASN204D, ASP199C, ASP199D, ASP61D, GLN102C, GLN102D, GLN207C, GLN207D, GLN208C, GLN208D, GLN212C, GLN212D, GLN213C, GLN213D, GLN97C, GLN97D, GLU10D, GLU11D, GLU175C, GLU175D, GLU206C, GLU206D, GLU25D, GLU89C, GLU89D, GLU98C, GLU98D, GLY136C, GLY136D, GLY180C, GLY180D, GLY194C, GLY194D, GLY27D, HIS12D, HIS16D, ILE137D, ILE183C, ILE183D, ILE187C, ILE187D, ILE200C, ILE200D, ILE202C, ILE202D, ILE210C, ILE210D, ILE86C, ILE86D, LEU130C, LEU131C, LEU131D, LEU135C, LEU135D, LEU167C, LEU167D, LEU178C, LEU178D, LEU182C, LEU182D, LEU193C, LEU193D, LEU24D, LEU85C, LEU85D, LYS105C, LYS105D, LYS133C, LYS14D, LYS188C, LYS188D, LYS190C, LYS190D, LYS205C, LYS205D, LYS92C, LYS92D, MET104C, MET104D, MET109C, MET109D, MET132C, MET170C, MET170D, MET198C, MET198D, PHE110C, PHE110D, PHE171C, PHE171D, PHE174C, PHE174D, PHE201C, PHE201D, PHE203C, PHE203D, PRO112C, PRO112D, SER176C, SER176D, SER196C, SER196D, SER216C, THR103C, THR103D, THR181C, THR181D, THR184C, THR184D, THR195C, THR195D, TRP106C, TRP106D, TRP15D, TRP63C, TRP63D, TYR107C, TYR107D, TYR134C, TYR134D, TYR87C, TYR87D, VAL101C, VAL101D
• C-F: ARG404F, ARG405F, ASN13C, ASP41C, CYS40C, GLN39C, GLU10C, GLU11C, GLU9C, HIS12C, HIS16C, ILE365F, ILE403F, ILE5C, LEU7C, LYS14C, LYS360F, LYS401F, LYS402F, LYS407F, MET413F, PHE406F, PRO6C, THR398F, THR399F, TRP15C, VAL408F, VAL42C
• C-G: ALA173C, ALA177C, ALA179C, ASN172C, ASN361G, ASN367G, ASP366G, GLU175C, ILE168C, ILE183C, ILE365G, LEU167C, LEU363G, LEU368G, LYS360G, LYS364G, LYS402G, MET170C, PHE171C, PHE174C, PHE406G, PRO169C, SER176C
• C-H: ARG100C, ASN367H, ASN371H, ASP366H, ASP369H, GLN102C, GLN129C, GLN410H, GLN97C, GLU126C, GLU98C, GLY96C, ILE365H, ILE412H, LEU130C, LEU131C, LEU135C, LEU363H, LEU368H, LYS133C, LYS364H, LYS402H, LYS407H, MET104C, MET132C, PHE406H, PHE99C, SER127C, SER362H, SER409H, THR103C, THR128C, THR95C, TYR134C, VAL101C, VAL370H, VAL408H
• D-G: ALA125D, ARG100D, ARG372G, ASN367G, ASN371G, ASP366G, ASP369G, GLN102D, GLN129D, GLN410G, GLN97D, GLU126D, GLU98D, GLY136D, GLY96D, ILE365G, ILE412G, LEU130D, LEU131D, LEU135D, LEU363G, LEU368G, LYS133D, LYS364G, LYS402G, LYS407G, MET104D, MET132D, PHE406G, PHE99D, SER127D, SER362G, SER409G, THR103D, THR128D, THR95D, TYR134D, VAL101D, VAL370G, VAL408G
• D-H: ALA173D, ALA177D, ALA179D, ARG372H, ARG405H, ASN13D, ASN172D, ASN361H, ASN367H, ASP366H, ASP41D, CYS40D, GLU10D, GLU175D, GLU395H, GLU9D, GLY180D, HIS16D, ILE168D, ILE183D, ILE365H, ILE403H, LEU167D, LEU363H, LEU368H, LEU7D, LYS14D, LYS360H, LYS364H, LYS401H, LYS402H, LYS407H, MET170D, MET413H, PHE171D, PHE174D, PHE406H, PRO169D, PRO6D, SER176D, THR398H, THR399H, TRP15D, VAL408H, VAL42D