3P05

x-ray structure of pentameric hiv-1 ca

• Total interactions analyzed: 10
• Total true interactions: 6
• Strongest Interaction:
  • Chains: A-D
  • Int. Res.: 2
  • Norm. En. per Res.: -0.0002
• Hub Node: A(3)

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	-41.3706	-1.7101	585.211	542.1303	109	12	5	9944	3	26	27
A-D	0.0	0.0	-0.0003	-0.0003	2	0	0	1	0	0	3
A-E	-19.2759	-20.086	338.127	298.765	107	11	4	9844	3	23	27
B-C	-55.5218	-33.3996	633.311	544.3895	103	18	4	9676	4	24	28
C-D	-32.4885	5.3685	536.022	508.902	122	17	6	10958	2	24	27
D-E	-39.7103	-4.2213	577.019	533.0874	112	16	5	9896	3	26	27

Interface residues

• A-B: ALA14B, ALA174A, ALA209A, ALA217A, ALA31B, ALA42A, ALA64B, ALA65B, ARG143B, ARG162A, ARG167A, ARG173A, ARG18A, ARG18B, ASN183A, ASN53B, ASN57B, ASN74B, ASP163A, ASP166A, ASP51B, CYS218A, CYS21A, CYS21B, CYS22A, CYS22B, GLN13B, GLN179A, GLN219A, GLN50B, GLN63B, GLN67B, GLU212A, GLU213A, GLU28B, GLU29A, GLU35A, GLU45A, GLU71B, GLU75B, GLY137B, GLY46A, GLY60B, GLY61B, HIS12B, HIS62B, ILE141B, ILE15A, ILE15B, ILE37A, LEU111B, LEU172A, LEU190A, LEU20A, LEU20B, LEU211A, LEU43A, LEU56B, LEU69B, LYS140B, LYS170A, LYS182A, LYS25A, LYS25B, LYS30A, LYS70B, MET144B, MET214A, MET215A, MET39A, MET55B, MET66B, MET68B, PHE161A, PHE168A, PHE32B, PHE40A, PRO147B, PRO17B, PRO1A, PRO34A, PRO38A, SER146B, SER16A, SER16B, SER33A, SER41A, SER44A, THR107B, THR171A, THR186A, THR19A, THR19B, THR210A, THR216A, THR54B, THR58B, THR72B, TRP23A, TRP23B, TYR145B, TYR164A, TYR169A, VAL165A, VAL24B, VAL26A, VAL27B, VAL36A, VAL59B
• A-D: ARG18A, ARG18D
• A-E: ALA14A, ALA174E, ALA209E, ALA217E, ALA31A, ALA42E, ALA64A, ALA65A, ARG143A, ARG162E, ARG167E, ARG173E, ARG18A, ARG18E, ASN183E, ASN53A, ASN57A, ASN74A, ASP163E, ASP166E, ASP51A, CYS218E, CYS21A, CYS21E, CYS22A, CYS22E, GLN179E, GLN219E, GLN50A, GLN63A, GLN67A, GLU212E, GLU213E, GLU28A, GLU29E, GLU35E, GLU45E, GLU71A, GLU75A, GLY137A, GLY60A, GLY61A, HIS12A, HIS62A, ILE141A, ILE15A, ILE37E, LEU111A, LEU172E, LEU190E, LEU20A, LEU20E, LEU211E, LEU43E, LEU56A, LEU69A, LYS140A, LYS170E, LYS182E, LYS25A, LYS25E, LYS30E, LYS70A, MET144A, MET214E, MET215E, MET39E, MET55A, MET66A, MET68A, PHE161E, PHE168E, PHE32A, PHE40E, PRO147A, PRO17A, PRO17E, PRO34E, PRO38E, SER146A, SER16A, SER16E, SER33E, SER41E, SER44E, THR148A, THR171E, THR186E, THR19A, THR19E, THR210E, THR216E, THR54A, THR58A, THR72A, TRP23A, TRP23E, TYR145A, TYR164E, TYR169E, VAL142A, VAL165E, VAL24A, VAL26E, VAL27A, VAL36E, VAL59A
• B-C: ALA14C, ALA174B, ALA209B, ALA217B, ALA31C, ALA42B, ALA64C, ALA65C, ARG143C, ARG162B, ARG167B, ARG173B, ARG18B, ARG18C, ASN183B, ASN53C, ASN57C, ASN74C, ASP163B, ASP166B, ASP51C, CYS218B, CYS21B, CYS21C, CYS22B, CYS22C, GLN179B, GLN219B, GLN50C, GLN63C, GLN67C, GLU212B, GLU213B, GLU28C, GLU29B, GLU35B, GLU45B, GLU71C, GLU75C, GLY137C, GLY60C, GLY61C, HIS12C, HIS62C, ILE141C, ILE15C, ILE37B, LEU172B, LEU190B, LEU20B, LEU20C, LEU211B, LEU43B, LEU56C, LEU69C, LYS140C, LYS170B, LYS182B, LYS25B, LYS25C, LYS30B, LYS70C, MET144C, MET214B, MET215B, MET39B, MET55C, MET66C, MET68C, PHE161B, PHE168B, PHE32C, PHE40B, PRO147C, PRO17B, PRO17C, PRO34B, PRO38B, SER146C, SER16B, SER16C, SER33B, SER41B, SER44B, THR171B, THR186B, THR19B, THR210B, THR216B, THR54C, THR58C, THR72C, TRP23B, TRP23C, TYR145C, TYR164B, TYR169B, VAL165B, VAL24C, VAL26B, VAL27C, VAL36B, VAL59C
• C-D: ALA14D, ALA174C, ALA209C, ALA217C, ALA31D, ALA42C, ALA64D, ALA65D, ARG143D, ARG162C, ARG167C, ARG173C, ARG18C, ARG18D, ASN183C, ASN53D, ASN57D, ASN5C, ASN5D, ASN74D, ASP163C, ASP166C, ASP51D, CYS218C, CYS21C, CYS21D, CYS22C, CYS22D, GLN13D, GLN179C, GLN219C, GLN4C, GLN4D, GLN50D, GLN63D, GLN67D, GLN7C, GLN9C, GLN9D, GLU212C, GLU213C, GLU28D, GLU29C, GLU35C, GLU45C, GLU71D, GLU75D, GLY137D, GLY46C, GLY60D, GLY61D, GLY8C, HIS12D, HIS62D, ILE141D, ILE15C, ILE15D, ILE37C, LEU111D, LEU172C, LEU190C, LEU20C, LEU20D, LEU211C, LEU43C, LEU56D, LEU69D, LEU6C, LYS140D, LYS170C, LYS182C, LYS25C, LYS25D, LYS30C, LYS70D, MET10D, MET144D, MET214C, MET215C, MET39C, MET55D, MET66D, MET68D, PHE161C, PHE168C, PHE32D, PHE40C, PRO147D, PRO17C, PRO17D, PRO34C, PRO38C, SER146D, SER16C, SER16D, SER33C, SER41C, SER44C, THR148D, THR171C, THR186C, THR19C, THR19D, THR210C, THR216C, THR54D, THR58D, THR72D, TRP23C, TRP23D, TYR145D, TYR164C, TYR169C, VAL11D, VAL142D, VAL165C, VAL24D, VAL26C, VAL36C, VAL3C, VAL3D, VAL59D
• D-E: ALA14E, ALA174D, ALA209D, ALA217D, ALA31E, ALA42D, ALA64E, ALA65E, ARG143E, ARG162D, ARG167D, ARG173D, ARG18D, ARG18E, ASN183D, ASN53E, ASN57E, ASN5D, ASN74E, ASP163D, ASP166D, CYS218D, CYS21D, CYS21E, CYS22D, CYS22E, GLN112E, GLN13E, GLN179D, GLN219D, GLN4D, GLN50E, GLN63E, GLN67E, GLU212D, GLU213D, GLU28E, GLU29D, GLU29E, GLU35D, GLU45D, GLU71E, GLU75E, GLY60E, GLY61E, HIS12E, HIS62E, ILE141E, ILE15D, ILE15E, ILE37D, LEU172D, LEU190D, LEU20D, LEU20E, LEU211D, LEU43D, LEU56E, LEU69E, LYS140E, LYS170D, LYS182D, LYS25D, LYS25E, LYS30D, LYS70E, MET144E, MET214D, MET215D, MET39D, MET55E, MET66E, MET68E, PHE161D, PHE168D, PHE32E, PHE40D, PRO147E, PRO17D, PRO17E, PRO1D, PRO34D, PRO38D, SER146E, SER16D, SER16E, SER33D, SER41D, SER44D, THR107E, THR171D, THR186D, THR19D, THR19E, THR210D, THR216D, THR54E, THR58E, THR72E, TRP23D, TRP23E, TYR145E, TYR164D, TYR169D, VAL165D, VAL24D, VAL24E, VAL26D, VAL27E, VAL36D, VAL3D, VAL59E