1X12

structure of mutant pyrrolidone carboxyl peptidase (e192d) from a hyperthermophile, pyrococcus furiosus

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: B-C
  • Int. Res.: 73
  • Norm. En. per Res.: -5.3891
• 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	0.0	-26.4511	-26.4511	20	6	0	963	0	2	7
A-C	0.0	-1.0013	-174.691	-175.6923	78	3	8	8091	0	14	21
A-D	-46.5553	-184.0493	-143.23	-373.8346	70	12	5	6137	14	28	10
B-C	-43.3943	-206.152	-143.855	-393.4012	73	18	5	6291	14	27	11
B-D	-14.0255	-1.1027	-183.857	-198.9852	78	11	8	8498	0	12	20
C-D	0.0	0.0	-28.9251	-28.9251	21	7	0	1025	0	3	7

Interface residues

• A-B: ALA88B, ARG89A, ARG89B, GLN182A, GLN182B, GLY179A, GLY179B, GLY181A, GLY181B, ILE178A, ILE178B, ILE90A, ILE90B, LYS177A, LYS177B, LYS180A, LYS180B, LYS97A, LYS97B, VAL183A
• A-C: ALA131A, ALA131C, ALA75A, ALA75C, ARG127A, ARG127C, ARG73A, ARG73C, ASP176A, ASP176C, GLN173A, GLN173C, GLN182A, GLN182C, GLU126A, GLU126C, GLU172A, GLU172C, GLU190A, GLU190C, GLY128A, GLY128C, GLY179A, GLY179C, GLY72A, GLY72C, HIS125A, HIS125C, ILE129A, ILE129C, ILE133A, ILE133C, ILE170A, ILE170C, ILE174A, ILE174C, ILE175A, ILE175C, ILE178A, ILE178C, ILE76A, ILE76C, LEU124A, LEU124C, LYS122A, LYS122C, LYS177A, LYS177C, MET121A, MET121C, MET187A, MET187C, MET191A, MET191C, PRO130A, PRO130C, PRO168A, PRO168C, PRO171A, PRO171C, PRO184A, PRO184C, PRO185A, PRO185C, SER186A, SER186C, SER188A, SER188C, SER74A, SER74C, SER77A, SER77C, TYR132A, TYR132C, TYR189A, TYR189C, VAL183A, VAL183C
• A-D: ALA107A, ALA107D, ALA110A, ALA110D, ALA137A, ALA137D, ALA82A, ALA82D, ALA85A, ALA85D, ALA88A, ALA88D, ARG73A, ARG80A, ARG80D, ASN135A, ASN135D, ASN143A, ASN143D, ASN84A, ASN84D, ASP100A, ASP100D, ASP87A, ASP87D, GLU101A, GLU101D, GLU99A, GLU99D, GLY138A, GLY138D, ILE103A, ILE103D, ILE117A, ILE117D, ILE133A, ILE133D, ILE81A, ILE81D, ILE86A, ILE86D, ILE98D, LEU139A, LEU139D, LEU150A, LEU150D, LYS118A, LYS118D, MET121A, MET121D, PHE112A, PHE112D, PRO102A, PRO102D, PRO108A, PRO108D, SER113A, SER113D, SER134A, SER134D, SER136A, SER136D, THR109A, THR109D, TYR111A, TYR111D, TYR147A, TYR147D, VAL83A, VAL83D
• B-C: ALA107B, ALA107C, ALA110B, ALA110C, ALA137B, ALA137C, ALA82B, ALA82C, ALA85B, ALA85C, ALA88B, ALA88C, ARG73C, ARG80B, ARG80C, ARG89C, ASN135B, ASN135C, ASN143B, ASN143C, ASN84B, ASN84C, ASP100B, ASP100C, ASP87B, ASP87C, GLU101B, GLU101C, GLU99B, GLU99C, GLY138B, GLY138C, ILE103B, ILE103C, ILE117B, ILE117C, ILE133B, ILE133C, ILE81B, ILE81C, ILE86B, ILE86C, ILE98C, LEU139B, LEU139C, LEU150B, LEU150C, LYS118B, LYS118C, LYS97C, MET121B, MET121C, PHE112B, PHE112C, PRO102B, PRO102C, PRO108B, PRO108C, SER113B, SER113C, SER134B, SER134C, SER136B, SER136C, THR109B, THR109C, TYR111B, TYR111C, TYR132B, TYR147B, TYR147C, VAL83B, VAL83C
• B-D: ALA131B, ALA131D, ALA75B, ALA75D, ARG127B, ARG127D, ARG73B, ARG73D, ASP176B, ASP176D, GLN173B, GLN173D, GLN182B, GLN182D, GLU126B, GLU126D, GLU172B, GLU172D, GLU190B, GLU190D, GLY128B, GLY128D, GLY179B, GLY179D, GLY72B, GLY72D, HIS125B, HIS125D, ILE129B, ILE129D, ILE133B, ILE133D, ILE170B, ILE170D, ILE174B, ILE174D, ILE175B, ILE175D, ILE178B, ILE178D, ILE76B, ILE76D, LEU124B, LEU124D, LYS122B, LYS122D, LYS177B, LYS177D, MET121B, MET121D, MET187B, MET187D, MET191B, MET191D, PRO130B, PRO130D, PRO168B, PRO168D, PRO171B, PRO171D, PRO184B, PRO184D, PRO185B, PRO185D, SER186B, SER186D, SER188B, SER188D, SER74B, SER74D, SER77B, SER77D, TYR132B, TYR132D, TYR189B, TYR189D, VAL183B, VAL183D
• C-D: ALA88D, ARG89C, ARG89D, GLN182C, GLN182D, GLY179C, GLY179D, GLY181C, GLY181D, ILE178C, ILE178D, ILE90C, ILE90D, LYS177C, LYS177D, LYS180C, LYS180D, LYS97C, LYS97D, VAL183C, VAL183D