3P0A

x-ray structure of pentameric hiv-1 ca

• Total interactions analyzed: 190
• Total true interactions: 30
• Strongest Interaction:
  • Chains: I-L
  • Int. Res.: 15
  • Norm. En. per Res.: -0.1905
• Hub Node: C(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	0.0	0.0	-3.2377	-3.2377	46	0	0	643	0	0	0
A-E	0.0	0.0	-2.3217	-2.3217	46	0	0	590	0	0	0
B-C	0.0	0.0	-3.1748	-3.1748	42	0	0	565	0	0	0
B-K	0.0	0.0	-0.0003	-0.0003	2	0	0	1	0	0	0
C-D	0.0	0.0	-2.2787	-2.2787	47	0	0	543	0	0	0
C-I	0.0	0.0	5.7723	5.7723	30	6	0	494	0	0	0
C-R	0.0	0.0	2.1021	2.1021	26	28	0	892	0	0	0
C-S	0.0	0.0	-0.065	-0.065	5	0	0	21	0	0	0
D-E	0.0	0.0	-2.9289	-2.9289	40	0	0	621	0	0	0
D-R	0.0	0.0	-0.0055	-0.0055	2	0	0	5	0	0	0
F-G	0.0	0.0	-1.8994	-1.8994	41	0	0	468	0	0	0
F-J	0.0	0.0	-3.3342	-3.3342	48	0	0	677	0	0	0
G-H	0.0	0.0	-2.6376	-2.6376	38	0	0	542	0	0	0
H-I	0.0	0.0	-2.5468	-2.5468	46	0	0	562	0	0	0
H-Q	0.0	0.0	-0.001	-0.001	5	0	0	3	0	0	0
I-J	0.0	0.0	-3.6261	-3.6261	49	0	0	678	0	0	0
I-L	0.0	0.0	-2.8579	-2.8579	15	0	0	297	0	0	0
I-M	0.0	0.0	-0.0383	-0.0383	3	0	0	16	0	0	0
J-L	0.0	0.0	-0.006	-0.006	2	0	0	5	0	0	0
K-L	0.0	0.0	-2.3788	-2.3788	45	0	0	558	0	0	0
K-O	0.0	0.0	-2.3214	-2.3214	41	0	0	566	0	0	0
L-M	0.0	0.0	-2.8718	-2.8718	45	0	0	619	0	0	0
L-R	0.0	0.0	24.8382	24.8382	32	6	0	464	0	0	0
M-N	0.0	0.0	-2.3496	-2.3496	42	0	0	565	0	0	0
N-O	0.0	0.0	-3.6559	-3.6559	54	0	0	697	0	0	0
P-Q	0.0	0.0	-2.3959	-2.3959	38	0	0	512	0	0	0
P-T	0.0	0.0	-2.8762	-2.8762	46	0	0	647	0	0	0
Q-R	0.0	0.0	-2.4993	-2.4993	40	0	0	519	0	0	0
R-S	0.0	0.0	-3.277	-3.277	50	0	0	637	0	0	0
S-T	0.0	0.0	-2.6013	-2.6013	48	0	0	594	0	0	0

Interface residues

• A-B: ALA14B, ALA22A, ALA42A, ALA64B, ALA65B, ARG162A, ARG167A, ASN21B, ASN57B, ASP163A, ASP166A, ASP51B, CYS17B, CYS19A, GLN63B, GLN67B, GLU212A, GLU35A, GLU45A, GLU71B, GLY60B, GLY61B, HIS62B, ILE15B, LEU18A, LEU18B, LEU211A, LEU43A, LYS170A, LYS30A, MET144B, MET39A, MET68B, PHE168A, PRO38A, SER16B, SER33A, THR210A, THR216A, THR54B, THR58B, TYR164A, TYR169A, VAL165A, VAL36A, VAL59B
• A-E: ALA14A, ALA22E, ALA42E, ALA64A, ARG162E, ARG167E, ARG173E, ASN21A, ASN57A, ASP166E, CYS17A, CYS19E, GLN63A, GLN67A, GLU212E, GLU35E, GLU45E, GLU71A, GLY60A, GLY61A, HIS62A, ILE15A, ILE37E, LEU18A, LEU18E, LEU20A, LEU211E, LEU43E, LYS170E, MET144A, MET39E, MET68A, PRO34E, PRO38E, SER16A, SER33E, THR210E, THR216E, THR54A, THR58A, TRP23E, TYR169E, VAL165E, VAL26E, VAL36E, VAL59A
• B-C: ALA22B, ALA42B, ALA64C, ALA65C, ARG162B, ARG167B, ASN21C, ASN57C, ASP163B, ASP166B, CYS17C, CYS19B, GLN63C, GLN67C, GLU212B, GLU35B, GLU71C, GLY60C, GLY61C, HIS62C, ILE15C, LEU18B, LEU18C, LEU20C, LEU211B, LEU43B, LYS170B, MET144C, MET39B, MET66C, MET68C, PHE168B, PRO34B, PRO38B, THR210B, THR216B, THR54C, THR58C, TYR164B, TYR169B, VAL165B, VAL59C
• B-K: ALA204B, THR200K
• C-D: ALA14D, ALA22C, ALA42C, ALA64D, ALA65D, ARG162C, ARG167C, ARG173C, ASN21D, ASN57D, ASP163C, ASP166C, CYS17D, CYS19C, GLN63D, GLN67D, GLU212C, GLU35C, GLU45C, GLU71D, GLY60D, GLY61D, HIS62D, ILE15D, ILE37C, LEU18C, LEU18D, LEU211C, LEU43C, LYS170C, LYS30C, MET144D, MET39C, MET68D, PHE168C, PRO34C, PRO38C, SER33C, SER41C, THR210C, THR216C, THR54D, THR58D, TYR169C, VAL165C, VAL36C, VAL59D
• C-I: ARG154C, ARG154I, ARG167C, ARG167I, ASN195C, ASN195I, ASP152C, ASP152I, ASP197C, ASP197I, GLN155C, GLN155I, GLU159C, GLU159I, GLY156C, GLY156I, ILE153C, ILE153I, LYS158C, LYS158I, PRO157C, PRO157I, PRO196C, PRO196I, SER149C, SER149I, THR148C, THR148I, TYR164C, TYR164I
• C-R: ALA177R, ALA184C, ALA184R, ALA185C, ALA185R, ASN183C, ASN183R, GLN179C, GLN179R, GLU180C, GLU180R, GLU187C, GLU187R, LEU151C, LEU189C, LEU189R, LYS182C, LYS182R, SER178C, SER178R, THR186C, THR186R, THR188C, THR188R, VAL181C, VAL181R
• C-S: ARG82S, HIS84C, LEU83C, LEU83S, TRP80C
• D-E: ALA22D, ALA42D, ALA64E, ALA65E, ARG162D, ARG167D, ASN21E, ASN57E, ASP163D, ASP166D, CYS17E, CYS19D, GLN63E, GLN67E, GLU212D, GLU35D, GLU71E, GLY60E, GLY61E, HIS62E, LEU18D, LEU18E, LEU20E, LEU211D, LEU43D, LYS170D, LYS30D, MET144E, MET39D, MET68E, PRO38D, SER16E, THR210D, THR216D, THR54E, THR58E, TYR169D, VAL165D, VAL36D, VAL59E
• D-R: LEU83D, LEU83R
• F-G: ALA14G, ALA22F, ALA42F, ALA64G, ARG162F, ARG167F, ARG173F, ASN21G, ASN57G, ASP163F, ASP166F, CYS17G, CYS19F, GLN63G, GLN67G, GLU212F, GLU35F, GLU45F, GLY60G, GLY61G, HIS62G, ILE15G, ILE37F, LEU18F, LEU18G, LEU211F, LEU43F, LYS170F, LYS30F, MET39F, MET68G, PHE168F, PRO34F, PRO38F, SER33F, THR54G, THR58G, TYR169F, VAL165F, VAL36F, VAL59G
• F-J: ALA14F, ALA22J, ALA42J, ALA64F, ALA65F, ARG162J, ARG167J, ASN21F, ASN57F, ASP163J, ASP166J, CYS17F, CYS19J, GLN63F, GLN67F, GLU212J, GLU35J, GLU45J, GLU71F, GLY60F, GLY61F, HIS62F, ILE15F, LEU18F, LEU18J, LEU20F, LEU211J, LEU43J, LYS170J, MET144F, MET39J, MET68F, PHE168J, PRO34J, PRO38J, SER16F, SER33J, THR210J, THR216J, THR54F, THR58F, TRP23J, TYR164J, TYR169J, VAL165J, VAL26J, VAL36J, VAL59F
• G-H: ALA22G, ALA42G, ALA64H, ALA65H, ARG162G, ARG167G, ASN21H, ASN57H, ASP163G, ASP166G, CYS17H, CYS19G, GLN63H, GLN67H, GLU212G, GLU35G, GLU71H, GLY60H, GLY61H, HIS62H, LEU18G, LEU18H, LEU20H, LEU211G, LEU43G, LYS170G, LYS30G, MET144H, MET39G, MET68H, PRO38G, THR210G, THR216G, THR54H, THR58H, TYR169G, VAL165G, VAL59H
• H-I: ALA14I, ALA22H, ALA42H, ALA64I, ALA65I, ARG162H, ARG167H, ARG173H, ASN21I, ASN57I, ASP163H, ASP166H, CYS17I, CYS19H, GLN63I, GLN67I, GLU212H, GLU35H, GLU45H, GLU71I, GLY60I, GLY61I, HIS62I, ILE15I, ILE37H, LEU18H, LEU18I, LEU20I, LEU211H, LEU43H, LYS170H, MET144I, MET39H, MET68I, PHE168H, PRO34H, PRO38H, SER33H, THR210H, THR216H, THR54I, THR58I, TYR169H, VAL165H, VAL36H, VAL59I
• H-Q: ALA204H, ALA204Q, ASP197Q, ILE201Q, THR200H
• I-J: ALA14J, ALA22I, ALA42I, ALA64J, ALA65J, ARG162I, ARG167I, ASN21J, ASN57J, ASP163I, ASP166I, ASP51J, CYS17J, CYS19I, GLN63J, GLN67J, GLU212I, GLU35I, GLU45I, GLY60J, GLY61J, HIS62J, ILE15J, ILE37I, LEU18I, LEU18J, LEU20I, LEU20J, LEU211I, LEU43I, LYS170I, LYS30I, MET144J, MET39I, MET68J, PHE168I, PRO38I, SER16I, SER16J, SER33I, SER41I, THR216I, THR54J, THR58J, TYR169I, VAL165I, VAL26I, VAL36I, VAL59J
• I-L: ALA177I, ALA177L, ALA184I, ALA184L, ALA185I, GLN179I, GLN179L, GLU180I, GLU180L, LEU151L, SER178I, SER178L, THR188I, VAL181I, VAL181L
• I-M: ARG82M, LEU83I, LEU83M
• J-L: ARG82J, LEU83L
• K-L: ALA14L, ALA22K, ALA42K, ALA64L, ARG162K, ARG167K, ARG173K, ASN21L, ASN57L, ASP166K, CYS17L, CYS19K, GLN63L, GLN67L, GLU212K, GLU35K, GLU45K, GLU71L, GLY60L, GLY61L, HIS62L, ILE15L, ILE37K, LEU172K, LEU18K, LEU18L, LEU211K, LEU43K, LYS170K, MET144L, MET39K, MET68L, PHE168K, PRO34K, PRO38K, SER16L, SER33K, THR210K, THR216K, THR54L, THR58L, TYR169K, VAL165K, VAL36K, VAL59L
• K-O: ALA22O, ALA42O, ALA64K, ALA65K, ARG162O, ARG167O, ASN21K, ASN57K, ASP163O, ASP166O, CYS17K, CYS19O, GLN63K, GLN67K, GLU212O, GLU35O, GLU71K, GLY60K, GLY61K, HIS62K, ILE141K, ILE15K, LEU18K, LEU18O, LEU211O, LEU43O, LYS170O, LYS30O, MET144K, MET39O, MET68K, PRO38O, THR210O, THR216O, THR54K, THR58K, TYR164O, TYR169O, VAL165O, VAL36O, VAL59K
• L-M: ALA14M, ALA22L, ALA42L, ALA64M, ALA65M, ARG162L, ARG167L, ASN21M, ASN57M, ASP166L, CYS17M, CYS19L, GLN63M, GLN67M, GLU212L, GLU35L, GLU45L, GLU71M, GLY60M, GLY61M, HIS62M, LEU18L, LEU18M, LEU20L, LEU20M, LEU211L, LEU43L, LYS170L, LYS30L, MET144M, MET39L, MET68M, PHE168L, PRO38L, SER16L, SER16M, SER33L, THR210L, THR216L, THR54M, THR58M, TYR169L, VAL165L, VAL36L, VAL59M
• L-R: ARG154L, ARG154R, ARG167L, ARG167R, ASN195L, ASN195R, ASP152L, ASP152R, ASP197L, ASP197R, GLN155L, GLN155R, GLU159L, GLU159R, GLY156L, GLY156R, ILE153L, ILE153R, LEU151L, LYS158L, LYS158R, PRO147L, PRO157L, PRO157R, PRO196L, PRO196R, SER149L, SER149R, THR148L, THR148R, TYR164L, TYR164R
• M-N: ALA14N, ALA22M, ALA42M, ALA64N, ARG162M, ARG167M, ASN21N, ASN57N, ASP163M, ASP166M, CYS17N, CYS19M, GLN63N, GLN67N, GLU212M, GLU35M, GLU71N, GLY60N, GLY61N, HIS62N, ILE15N, LEU18M, LEU18N, LEU20N, LEU211M, LEU43M, LYS170M, MET144N, MET39M, MET68N, PRO34M, PRO38M, SER16N, SER33M, THR210M, THR216M, THR54N, THR58N, TYR169M, VAL165M, VAL36M, VAL59N
• N-O: ALA14O, ALA22N, ALA42N, ALA64O, ALA65O, ARG162N, ARG167N, ASN21O, ASN57O, ASP163N, ASP166N, ASP51O, CYS17O, CYS19N, GLN63O, GLN67O, GLU212N, GLU35N, GLU45N, GLU71O, GLY60O, GLY61O, HIS62O, ILE15O, ILE37N, LEU18N, LEU18O, LEU20N, LEU20O, LEU211N, LEU43N, LYS170N, LYS30N, MET144O, MET215N, MET39N, MET55O, MET68O, PHE168N, PRO34N, PRO38N, SER16O, SER33N, THR210N, THR216N, THR54O, THR58O, TRP23N, TYR164N, TYR169N, VAL165N, VAL26N, VAL36N, VAL59O
• P-Q: ALA22P, ALA42P, ALA64Q, ALA65Q, ARG162P, ARG167P, ASN21Q, ASN57Q, ASP163P, ASP166P, CYS17Q, CYS19P, GLN63Q, GLN67Q, GLU212P, GLU35P, GLU71Q, GLY60Q, GLY61Q, HIS62Q, LEU18P, LEU18Q, LEU211P, LEU43P, LYS170P, LYS30P, MET144Q, MET39P, MET68Q, PRO38P, SER33P, THR216P, THR54Q, THR58Q, TYR169P, VAL165P, VAL36P, VAL59Q
• P-T: ALA14P, ALA22T, ALA42T, ALA64P, ALA65P, ARG162T, ARG167T, ARG173T, ASN21P, ASN57P, ASP163T, ASP166T, CYS17P, CYS19T, GLN63P, GLN67P, GLU212T, GLU35T, GLU45T, GLU71P, GLY60P, GLY61P, HIS62P, ILE15P, ILE37T, LEU18P, LEU18T, LEU20P, LEU211T, LEU43T, LYS170T, MET144P, MET39T, MET68P, PHE168T, PRO34T, PRO38T, SER16P, SER33T, THR210T, THR54P, THR58P, TYR169T, VAL165T, VAL36T, VAL59P
• Q-R: ALA22Q, ALA42Q, ALA64R, ALA65R, ARG162Q, ARG167Q, ASN21R, ASN57R, ASP163Q, ASP166Q, CYS17R, CYS19Q, GLN63R, GLN67R, GLU212Q, GLU35Q, GLU71R, GLY60R, GLY61R, HIS62R, LEU18Q, LEU18R, LEU20R, LEU211Q, LEU43Q, LYS170Q, MET39Q, MET68R, PHE168Q, PRO34Q, PRO38Q, SER33Q, THR210Q, THR54R, THR58R, THR72R, TYR169Q, VAL165Q, VAL36Q, VAL59R
• R-S: ALA14S, ALA22R, ALA42R, ALA64S, ALA65S, ARG162R, ARG167R, ARG173R, ASN21S, ASN57S, ASP163R, ASP166R, CYS17S, CYS19R, GLN63S, GLN67S, GLU212R, GLU35R, GLU45R, GLU71S, GLY60S, GLY61S, HIS62S, ILE15S, ILE37R, LEU18R, LEU18S, LEU211R, LEU43R, LYS170R, LYS30R, MET144S, MET39R, MET68S, PHE168R, PRO34R, PRO38R, SER16S, SER33R, THR210R, THR216R, THR54S, THR58S, TRP23R, TYR164R, TYR169R, VAL165R, VAL26R, VAL36R, VAL59S
• S-T: ALA14T, ALA22S, ALA42S, ALA64T, ALA65T, ARG162S, ARG167S, ASN21T, ASN57T, ASP163S, ASP166S, CYS17T, CYS19S, GLN63T, GLN67T, GLU212S, GLU35S, GLU71T, GLY60T, GLY61T, HIS62T, ILE15T, LEU18S, LEU18T, LEU20T, LEU211S, LEU43S, LYS170S, LYS25S, LYS30S, MET144T, MET39S, MET68T, PHE168S, PRO38S, SER16T, SER33S, THR210S, THR216S, THR54T, THR58T, TRP23S, TYR164S, TYR169S, VAL165S, VAL26S, VAL36S, VAL59T