2ACF

nmr structure of sars-cov non-structural protein nsp3a (sars1) from sars coronavirus

• Total interactions analyzed: 6
• Total true interactions: 5
• Strongest Interaction:
  • Chains: B-D
  • Int. Res.: 50
  • Norm. En. per Res.: -2.4756
• 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-C	0.0	-0.3765	-2.968	-3.3445	12	0	0	260	0	7	4
A-D	0.0	7.4996	-56.8927	-49.3931	40	0	2	2749	1	13	11
B-C	-24.0459	-12.1551	-85.4193	-121.6203	52	5	1	4210	4	18	23
B-D	0.0	-25.5208	-98.2603	-123.7811	50	2	1	3894	0	14	3
C-D	0.0	0.0	-11.4629	-11.4629	22	1	0	892	0	1	2

Interface residues

• A-C: ARG330C, ASN197C, ASN299C, CB9.68228-9.17722, GLU296C, HIS180A, HIS180A5, HIS181A, HIS182A, SER300C, THR331C, VAL329C
• A-D: ALA242A, ALA341D, ASN254A, ASN353D, ASP248A, ASP249A, ASP349D, ASP352D, CYS263A, GLN345D, GLU246A, GLU344D, GLY255A, HIS268A, ILE200D, ILE251A, LEU192D, LEU194D, LEU225A, LEU253A, LEU264A, LEU265A, LEU351D, LEU354D, LYS193D, LYS245A, LYS252A, LYS273A, LYS340D, MET243A, MET348D, PRO356D, SER247A, SER262A, SER266A, THR195D, TYR250A, TYR343D, TYR350D, VAL347D
• B-C: ALA238B, ALA242B, ARG357C, ASN197C, ASN236B, ASN240B, ASN269B, ASN353C, ASP196C, ASP248B, ASP249B, ASP349C, ASP352C, CYS202C, GLN210B, GLN244B, GLN345C, GLU246B, GLU344C, GLY190C, GLY228B, GLY241B, HIS227B, HIS268B, ILE200C, LEU192C, LEU194C, LEU270B, LEU351C, LEU354C, LYS193C, LYS201C, LYS226B, LYS237B, LYS245B, LYS252B, LYS340C, LYS355C, MET243B, MET348C, PRO356C, SER247B, SER266B, THR189C, THR195C, THR239B, TYR191C, TYR343C, TYR350C, VAL326C, VAL346C, VAL347C
• B-D: ALA221B, ALA221D, ALA284B, ALA284D, ASN222B, ASN222D, ASN281B, ASN281D, ASN283B, ASN283D, ASP287B, ASP287D, GLN244D, GLU286B, GLU286D, GLY228B, GLY228D, GLY229B, GLY229D, GLY230B, GLY230D, GLY285B, GLY285D, GLY312B, GLY312D, GLY315B, GLY315D, HIS224B, HIS224D, HIS227B, HIS227D, ILE223B, ILE223D, ILE288B, ILE313B, ILE313D, LEU225B, LEU225D, LEU282B, LEU282D, LEU290B, LEU290D, LYS226B, LYS226D, PHE314B, PHE314D, VAL259B, VAL259D, VAL278B, VAL278D
• C-D: ASN186C, ASN213C, ASP287D, GLN187C, GLN289D, GLN320D, GLN323D, GLN327D, GLY190C, ILE288D, LYS201C, LYS272C, LYS292D, LYS355D, MET183C, MET215C, PHE188C, PRO184C, PRO356D, THR189C, VAL185C, VAL324D