3GPG

crystal structure of macro domain of chikungunya virus

• Total interactions analyzed: 6
• Total true interactions: 5
• Strongest Interaction:
  • Chains: B-C
  • Int. Res.: 51
  • Norm. En. per Res.: -3.2778
• Hub Node: A(2)

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	-18.493	-16.6313	-52.5419	-87.6662	33	1	0	2618	3	19	20
A-C	0.0	4.6818	-60.09	-55.4082	46	2	0	3181	0	13	17
B-C	-33.621	-46.0356	-87.5099	-167.1665	51	7	0	3677	6	19	19
B-D	0.0	0.0	-0.0982	-0.0982	4	0	0	32	0	1	2
C-D	-26.7696	1.5319	-211.945	-237.1827	75	10	1	7766	0	21	21

Interface residues

• A-B: ALA36A, ARG144B, ARG5B, ARG8B, ASN14B, ASN47A, ASP10B, ASP15B, CYS60A, GLU149B, GLU43A, GLY61A, LYS13B, LYS146B, LYS150B, LYS35A, LYS39A, LYS40A, LYS40B, LYS46A, LYS7B, MET9B, PHE45A, PRO29A, PRO42A, SER153B, SER44A, SER48A, TRP41A, TYR142B, TYR38A, VAL37A, VAL6B
• A-C: ALA12A, ALA49C, ARG144A, ARG26C, ARG5A, ARG8A, ASN14A, ASN24C, ASN47C, ASN72C, ASN75C, ASP10A, ASP15A, CYS143A, GLU149A, GLU16A, GLU17A, GLU80C, GLU84C, GLY27C, GLY53C, GLY81C, LEU28C, LYS13A, LYS146A, LYS39A, LYS40A, LYS7A, MET9A, PHE73C, PRO25C, PRO51C, PRO71C, SER74C, SER77C, THR50C, TRP41A, TYR114C, TYR142A, TYR63A, TYR76C, VAL113C, VAL140A, VAL52C, VAL69C, VAL6A
• B-C: ALA12B, ALA86C, ARG120C, ARG83C, ARG90C, ASN102B, ASN126C, ASN14B, ASN75C, ASP119C, ASP15B, ASP82C, CYS18B, CYS60B, GLN123C, GLU16B, GLU17B, GLU43B, GLU78C, GLU80C, GLY100B, GLY61B, GLY81C, HIS127C, ILE11B, LEU125C, LEU85C, LYS118C, LYS13B, LYS39B, LYS40B, MET59B, PHE73C, PRO42B, PRO64B, SER103B, SER124C, SER44B, SER77C, SER79C, THR122C, THR130C, THR62B, TRP41B, TYR38B, TYR63B, TYR76C, VAL101B, VAL19B, VAL37B, VAL65B
• B-D: ASP31D, GLY32D, LYS46B, VAL113D
• C-D: ALA131C, ALA137C, ALA1C, ALA23D, ALA49D, ALA55D, ALA93C, ARG159C, ARG26D, ARG5C, ARG90C, ARG98C, ASN102C, ASN24D, ASN47D, ASN72D, ASN75D, ASP133C, ASP136C, ASP138C, GLU78D, GLU80D, GLU84D, GLU91C, GLU91D, GLU95C, GLU95D, GLY100C, GLY27D, GLY30D, GLY53D, GLY70D, GLY81D, HIS-1C, HIS0C, HIS67D, ILE156C, LEU128C, LEU28D, LEU99C, LYS56D, LYS94C, LYS94D, MET132C, PHE129C, PHE73D, PRO25D, PRO29D, PRO2C, PRO51D, PRO71D, SER103C, SER134C, SER3C, SER48D, SER74D, SER77D, THR130C, THR135C, THR50D, THR54D, THR57D, THR97C, TYR114D, TYR38D, TYR4C, TYR76D, TYR89C, VAL104C, VAL113D, VAL139C, VAL52D, VAL69D, VAL92C, VAL96C