3RNZ

crystal structure of bacillus amyloliquefaciens pyroglutamyl peptidase i

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: C-D
  • Int. Res.: 69
  • Norm. En. per Res.: -2.6311
• 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	0.0	-3.312	-177.892	-181.204	70	3	0	7591	0	12	17
A-C	0.0	0.0	-0.0934	-0.0934	6	0	0	38	0	0	3
A-D	-8.8136	-17.4547	-155.818	-182.0863	74	3	16	6633	4	12	15
B-C	-11.2085	-22.8872	-148.433	-182.5287	76	7	15	6503	4	11	15
B-D	0.0	0.0	-0.2466	-0.2466	2	0	0	56	0	0	3
C-D	-6.7184	-0.1805	-174.646	-181.5449	69	8	0	7504	0	12	14

Interface residues

• A-B: ALA133A, ALA133B, ALA134A, ALA134B, ALA181A, ALA181B, ARG27A, ARG75A, ARG75B, ASP187A, ASP187B, GLN175A, GLN175B, GLN178A, GLN178B, GLN77A, GLN77B, GLU124B, GLU129A, GLU129B, GLU174A, GLU174B, GLY130A, GLY130B, GLY74A, GLY74B, HIS188A, HIS188B, ILE126A, ILE126B, ILE131A, ILE131B, ILE172A, ILE172B, ILE189B, ILE78A, ILE78B, LEU177A, LEU177B, LEU184A, LEU184B, LEU186A, LEU186B, LYS127A, LYS127B, LYS128A, LYS128B, LYS179A, LYS179B, MET76A, MET76B, PRO132A, PRO132B, PRO170A, PRO170B, PRO173A, PRO173B, PRO182A, PRO182B, SER180A, SER180B, SER183A, SER183B, SER185A, SER185B, THR176A, THR176B, THR79A, VAL123A, VAL123B
• A-C: ARG91A, ARG91C, GLN178A, ILE92A, LYS179A, LYS179C
• A-D: ALA111A, ALA111D, ALA112A, ALA112D, ALA134D, ALA139A, ALA139D, ALA84A, ALA84D, ALA90A, ALA90D, ARG75A, ARG75D, ARG82A, ARG82D, ARG91A, ARG91D, ASN145A, ASN145D, ASN86A, ASN86D, ASN88A, ASN88D, ASP104A, ASP104D, GLU103A, GLU103D, GLU208A, GLU89A, GLU89D, GLY102A, GLY102D, GLY109A, GLY109D, GLY140A, GLY140D, ILE105A, ILE105D, ILE119A, ILE119D, ILE207A, ILE207D, ILE85A, ILE85D, LEU87A, LEU87D, LYS120A, LYS120D, PRO100A, PRO100D, PRO110A, PRO110D, SER106A, SER106D, SER136A, SER136D, THR138A, THR138D, THR141A, THR141D, TRP114A, TRP114D, TYR113A, TYR113D, TYR137A, TYR137D, TYR149A, TYR149D, VAL101A, VAL101D, VAL135A, VAL135D, VAL83A, VAL83D
• B-C: ALA111B, ALA111C, ALA112B, ALA112C, ALA134C, ALA139B, ALA139C, ALA84B, ALA84C, ALA90B, ALA90C, ARG75B, ARG75C, ARG82B, ARG82C, ARG91B, ARG91C, ASN145B, ASN145C, ASN86B, ASN86C, ASN88B, ASN88C, ASP104B, ASP104C, GLN99C, GLU103B, GLU103C, GLU208B, GLU89B, GLU89C, GLY102B, GLY102C, GLY109B, GLY109C, GLY140B, GLY140C, ILE105B, ILE105C, ILE119B, ILE119C, ILE207B, ILE207C, ILE85B, ILE85C, LEU87B, LEU87C, LYS120B, LYS120C, PRO100B, PRO100C, PRO110B, PRO110C, SER106B, SER106C, SER136B, SER136C, THR138B, THR138C, THR141B, THR141C, THR209B, TRP114B, TRP114C, TYR113B, TYR113C, TYR137B, TYR137C, TYR149B, TYR149C, VAL101B, VAL101C, VAL135B, VAL135C, VAL83B, VAL83C
• B-D: ARG91D, LYS179B
• C-D: ALA133C, ALA133D, ALA134C, ALA134D, ALA181C, ALA181D, ARG75C, ARG75D, ASP187C, ASP187D, GLN175C, GLN175D, GLN178C, GLN178D, GLN77C, GLN77D, GLU124C, GLU124D, GLU129C, GLU129D, GLU174C, GLU174D, GLY130C, GLY130D, GLY74C, GLY74D, HIS188C, HIS188D, ILE126C, ILE126D, ILE131C, ILE131D, ILE172C, ILE172D, LEU177C, LEU177D, LEU184C, LEU184D, LEU186C, LEU186D, LYS127C, LYS127D, LYS128C, LYS128D, LYS179C, LYS179D, LYS191D, MET76C, MET76D, PRO132C, PRO132D, PRO170C, PRO170D, PRO173C, PRO173D, PRO182C, PRO182D, SER180C, SER180D, SER183C, SER183D, SER185C, SER185D, THR176C, THR176D, THR79C, THR79D, VAL123C, VAL123D