1NPP

crystal structure of aquifex aeolicus nusg in p2(1)

• Total interactions analyzed: 6
• Total true interactions: 4
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 131
  • Norm. En. per Res.: -2.7696
• 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	-45.7244	11.7603	-328.857	-362.8211	131	31	11	13634	3	18	24
A-C	-19.8306	-41.6105	-136.083	-197.5241	73	16	1	5897	2	40	35
B-C	-6.9592	-31.3432	-13.1015	-51.4039	20	0	0	717	1	11	13
C-D	-22.3699	6.6292	-155.147	-170.8878	71	17	8	7204	0	10	17

Interface residues

• A-B: ALA15A, ALA15B, ALA50B, ARG161A, ARG161B, ARG186B, ARG202A, ARG202B, ARG223A, ARG234A, ARG234B, ASN132B, ASN179B, ASN182B, ASN210A, ASN210B, ASP241A, GLN178A, GLN178B, GLN17A, GLN17B, GLN183B, GLN200B, GLU174A, GLU175A, GLU175B, GLU176A, GLU176B, GLU19A, GLU221A, GLU239A, GLU239B, GLU246B, GLY137A, GLY166A, GLY206A, GLY206B, GLY213A, GLY233A, GLY233B, ILE134A, ILE134B, ILE139A, ILE139B, ILE141B, ILE180A, ILE180B, ILE184A, ILE184B, ILE204A, ILE229A, ILE229B, ILE231A, ILE231B, ILE248A, ILE248B, ILE47B, LEU140A, LEU140B, LEU16A, LEU16B, LEU172A, LEU172B, LEU181A, LEU181B, LYS12A, LYS133A, LYS173A, LYS173B, LYS189B, LYS222A, LYS224A, LYS247B, MET164A, MET164B, MET209A, MET209B, MET235A, MET235B, PHE135A, PHE135B, PHE160A, PHE208A, PHE208B, PHE211A, PHE211B, PHE232A, PHE232B, PRO136A, PRO136B, PRO162A, PRO162B, PRO169A, PRO171A, PRO171B, PRO190B, PRO207A, PRO207B, PRO20A, PRO237B, PRO49A, PRO49B, SER191B, SER230A, SER230B, THR212A, THR212B, THR236A, THR236B, TRP13A, TRP13B, TYR138A, TYR138B, TYR14A, TYR14B, VAL163A, VAL163B, VAL165A, VAL165B, VAL170A, VAL170B, VAL177A, VAL177B, VAL188B, VAL18A, VAL193B, VAL201B, VAL203A, VAL203B, VAL238B, VAL48B
• A-C: ALA72A, ALA72C, ARG186A, ARG186C, ARG202A, ARG223A, ARG73C, ARG87C, ASN179A, ASN179C, ASN182C, ASN210A, ASN71A, ASN71C, ASN90A, ASN90C, ASP243A, ASP74C, GLN178C, GLN183A, GLN183C, GLN244A, GLU174C, GLU175A, GLU175C, GLU176A, GLU194A, GLU196A, GLU205A, GLU246A, GLU45C, GLU89A, GLU89C, GLU92C, GLU97C, GLY187A, GLY187C, GLY206A, GLY70A, GLY70C, GLY91C, ILE180C, ILE184C, ILE204A, ILE248A, ILE75C, ILE88C, LEU181C, LYS112C, LYS173A, LYS185C, LYS189A, LYS192A, LYS192C, LYS247A, LYS69A, LYS69C, LYS94C, MET209A, PHE195A, PHE211A, PHE242A, PHE86C, PRO109C, PRO190A, SER191A, THR85C, VAL188A, VAL193A, VAL203A, VAL245A, VAL95C, VAL96C
• B-C: ARG186B, ASN179B, ASN179C, ASN182B, ASN182C, GLN178B, GLN178C, GLN183B, GLU10C, GLU174B, GLU174C, GLU175B, GLU175C, GLU176C, GLY233B, LYS142C, LYS173C, LYS185B, LYS192C, MET235B
• C-D: ALA15C, ALA72D, ARG161C, ARG202D, ARG223C, ARG234C, ARG234D, ARG73D, ARG87D, ASN179C, ASN210D, ASN71D, ASP241C, GLN178C, GLN17C, GLN200D, GLU174C, GLU175C, GLU176C, GLU19C, GLU221C, GLU89D, GLY137C, GLY166C, GLY167C, GLY206D, GLY233D, ILE134C, ILE139C, ILE180C, ILE184C, ILE229D, ILE231D, LEU140C, LEU16C, LEU172C, LEU181C, LYS12C, LYS173C, LYS222C, LYS224C, MET164C, MET209D, MET235D, PHE135C, PHE160C, PHE208D, PHE211D, PHE232D, PRO136C, PRO162C, PRO169C, PRO171C, PRO207D, PRO20C, PRO237D, PRO49C, SER230D, THR212D, THR236D, TRP13C, TYR138C, TYR14C, VAL163C, VAL165C, VAL170C, VAL177C, VAL18C, VAL203D, VAL238D, VAL245D