3GPQ

crystal structure of macro domain of chikungunya virus in complex with rna

• Total interactions analyzed: 15
• Total true interactions: 5
• Strongest Interaction:
  • Chains: B-C
  • Int. Res.: 53
  • Norm. En. per Res.: -2.363
• 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	-10.086	-3.9478	-52.9803	-67.0141	42	3	0	2589	1	15	20
A-C	-2.9514	-6.6678	-64.5818	-74.201	52	2	0	3159	0	8	9
A-D	0.0	-8.9861	-2.1589	-11.145	11	0	0	287	0	8	10
B-C	-22.27	0.1789	-103.149	-125.2402	53	10	0	3965	6	22	18
B-D	0.0	6.5488	-6.8932	-0.3444	15	0	0	445	0	9	8

Interface residues

• A-B: ALA12B, ALA36A, ARG144B, ARG5B, ARG8B, ASN14B, ASN47A, ASP10B, ASP15B, CYS60A, GLN157B, GLU149B, GLU16B, GLU43A, GLY61A, ILE156B, LEU28A, LYS13B, LYS146B, LYS150B, LYS35A, LYS39A, LYS40A, LYS40B, LYS46A, LYS7B, MET59A, MET9B, PHE45A, PRO29A, PRO42A, SER153B, SER44A, THR62A, TRP41A, TYR142B, TYR38A, TYR63A, VAL140B, VAL37A, VAL58A, VAL6B
• A-C: ALA105A, ALA12A, ALA23C, ALA49C, ARG5A, ARG8A, ASN14A, ASN24C, ASN72C, ASN75C, ASP10A, ASP15A, CYS18A, CYS60A, GLU16A, GLU17A, GLU43A, GLU80C, GLU84C, GLY116C, GLY117C, GLY27C, GLY61A, GLY70C, GLY81C, ILE11A, LEU28C, LYS13A, LYS39A, LYS40A, LYS7A, MET9A, PHE73C, PRO25C, PRO42A, PRO51C, PRO64A, PRO71C, SER74C, SER77C, THR50C, THR62A, TRP41A, TYR114C, TYR142A, TYR63A, TYR76C, VAL113C, VAL140A, VAL19A, VAL52C, VAL69C
• A-D: ARG8D, ARG98A, ASN47A, ASP15D, LEU99A, LYS13D, LYS146D, LYS46A, LYS7D, LYS94A, MET9D
• B-C: ALA12B, ALA86C, ARG120C, ARG83C, ASN102B, ASN126C, ASN14B, ASP119C, ASP15B, ASP82C, CYS18B, CYS60B, GLN123C, GLU16B, GLU17B, GLU43B, GLU78C, GLU80C, GLU84C, GLY100B, GLY117C, GLY61B, GLY81C, HIS127C, ILE11B, LEU125C, LEU128C, LEU85C, LYS118C, LYS13B, LYS39B, LYS40B, MET59B, PHE73C, PRO42B, PRO64B, SER103B, SER124C, SER44B, SER74C, SER77C, SER79C, THR122C, THR130C, THR62B, TRP41B, TYR38B, TYR63B, TYR76C, VAL101B, VAL19B, VAL37B, VAL65B
• B-D: ARG5B, ARG8D, ASP145D, GLN157B, GLU147D, GLU154B, ILE156B, LYS146D, LYS150B, LYS150D, LYS151D, MET158B, SER153B, THR160B, VAL6B