3T5I

structure of fully modified farnesylated rheb peptide in complex with pde6d

• Total interactions analyzed: 15
• Total true interactions: 7
• Strongest Interaction:
  • Chains: B-A
  • Int. Res.: 53
  • Norm. En. per Res.: -3.9119
• 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
B-A	-59.7897	-17.0267	-130.514	-207.3304	53	8	0	4928	2	26	22
B-C	0.0	0.0	-0.0016	-0.0016	3	0	0	5	0	0	0
A-C	0.0	0.0	-0.0003	-0.0003	2	0	0	1	0	2	1
A-D	0.0	0.0	-19.5645	-19.5645	29	2	1	1537	0	2	3
A-R	-5.8393	0.0	-41.0408	-46.8801	24	2	0	1889	0	0	0
C-D	-46.2898	-3.3834	-110.291	-159.9642	54	15	0	4672	1	27	22
D-Q	-33.6335	0.0	-44.0559	-77.6894	24	5	0	1956	0	0	0

Interface residues

• B-A: ALA111B, ALA112B, ALA120A, ALA58B, ARG61B, ARG75B, ASP136B, ASP137B, ASP24A, CYS56A, CYS86B, GLN116A, GLN78B, GLN85B, GLU110B, GLU114A, GLU26A, GLU77B, GLU88B, GLU89B, GLU93B, GLY95B, ILE109B, ILE53A, LEU108B, LEU54A, LEU76B, LEU87B, LYS51A, LYS52A, LYS55A, LYS57A, LYS73B, LYS79B, LYS83A, MET117A, MET118A, PHE134B, PHE82A, PHE91B, PHE92B, PHE94B, PRO113A, PRO119A, SER107B, SER115A, SER121A, THR27A, TRP90B, TYR81B, VAL122A, VAL59B, VAL80B
• B-C: ARG144B, LYS132B, SER2C
• A-C: ALA3C, LYS51A
• A-D: ARG23A, ARG23D, ASN21A, ASN21D, ASN64A, ASN64D, ASP24D, GLN33A, GLN33D, GLU62A, GLU62D, GLY28A, GLY28D, ILE30A, ILE30D, LEU31A, LEU31D, LYS29A, LYS29D, THR104A, THR104D, THR27A, THR27D, THR35A, THR35D, TRP19A, TRP19D, TRP32A, TRP32D
• A-R: ARG61A, GLN116A, GLU114A, GLU88A, ILE128A, ILE129A, ILE53A, LEU123A, LEU147A, LEU22A, LEU54A, LEU87A, MET117A, MET118A, PHE82A, SER12R, SER13R, TRP90A, TYR149A, TYR81A, VAL127A, VAL49A, VAL59A, VAL80A
• C-D: ALA111C, ALA112C, ALA120D, ALA58C, ARG61C, ARG75C, ASP136C, ASP137C, ASP24D, CYS56D, CYS86C, GLN116D, GLN78C, GLN85C, GLU110C, GLU114D, GLU26D, GLU77C, GLU88C, GLU89C, GLU93C, GLY84C, GLY95C, ILE109C, ILE53D, LEU108C, LEU54D, LEU76C, LEU87C, LYS132C, LYS29D, LYS51D, LYS52D, LYS55D, LYS57D, LYS73C, LYS79C, LYS83D, MET117D, MET118D, PHE134C, PHE91C, PHE92C, PRO113D, PRO119D, SER107C, SER115D, SER121D, THR27D, TRP90C, TYR81C, VAL122D, VAL59C, VAL80C
• D-Q: ARG61D, GLN116D, GLU114D, GLU88D, GLU89D, ILE128D, ILE129D, ILE53D, LEU123D, LEU147D, LEU54D, LEU87D, MET117D, MET118D, PHE82D, SER12Q, SER13Q, TRP90D, TYR149D, TYR81D, VAL127D, VAL49D, VAL59D, VAL80D