2KYV

hybrid solution and solid-state nmr structure ensemble of phospholamban pentamer

• Total interactions analyzed: 10
• Total true interactions: 10
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 70
  • Norm. En. per Res.: -3.6096
• Hub Node: A(4)

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	-13.4475	6.2577	-245.485	-252.6748	70	23	14	9819	0	1	1
A-C	0.0	0.0	-1.4018	-1.4018	23	0	0	444	0	0	0
A-D	0.0	0.0	-1.373	-1.373	23	0	0	441	0	0	0
A-E	-13.073	6.2123	-244.821	-251.6817	70	23	14	9771	0	1	1
B-C	-13.4236	6.233	-244.303	-251.4936	70	23	14	9780	0	1	1
B-D	0.0	0.0	-1.3934	-1.3934	23	0	0	443	0	0	0
B-E	0.0	0.0	-1.396	-1.396	23	0	0	443	0	0	0
C-D	-13.4308	6.2472	-243.931	-251.1146	70	23	14	9788	0	1	1
C-E	0.0	0.0	-1.3979	-1.3979	23	0	0	446	0	0	0
D-E	-13.5243	6.2383	-244.43	-251.716	70	23	14	9786	0	1	1

Interface residues

• A-B: ALA15B, ALA24A, ALA24B, ARG14B, ARG25A, ARG25B, ASN27A, ASN27B, ASN30A, ASN30B, ASN34A, ASN34B, CYS36A, CYS36B, CYS41A, CYS41B, CYS46A, CYS46B, GLN22A, GLN22B, GLN23A, GLN23B, GLN26A, GLN26B, GLN29A, GLN29B, GLU19B, ILE18B, ILE33A, ILE33B, ILE38A, ILE38B, ILE40A, ILE40B, ILE45A, ILE45B, ILE47A, ILE47B, ILE48A, ILE48B, LEU28A, LEU28B, LEU31A, LEU31B, LEU37A, LEU37B, LEU39A, LEU39B, LEU42A, LEU42B, LEU43A, LEU43B, LEU44A, LEU44B, LEU51A, LEU51B, LEU52A, LEU52B, MET20A, MET20B, MET50B, PHE32A, PHE32B, PHE35A, PHE35B, PRO21B, SER16B, THR17B, VAL49A, VAL49B
• A-C: ARG25C, ASN30A, ASN34A, CYS36C, GLN23A, GLN23C, GLN26A, GLN26C, GLN29A, GLN29C, ILE33A, ILE33C, ILE40A, ILE40C, ILE47A, ILE47C, LEU37A, LEU37C, LEU43C, LEU44A, LEU44C, LEU51A, LEU51C
• A-D: ARG25A, ASN30D, ASN34D, CYS36A, GLN23A, GLN23D, GLN26A, GLN26D, GLN29A, GLN29D, ILE33A, ILE33D, ILE40A, ILE40D, ILE47A, ILE47D, LEU37A, LEU37D, LEU43A, LEU44A, LEU44D, LEU51A, LEU51D
• A-E: ALA15A, ALA24A, ALA24E, ARG14A, ARG25A, ARG25E, ASN27A, ASN27E, ASN30A, ASN30E, ASN34A, ASN34E, CYS36A, CYS36E, CYS41A, CYS41E, CYS46A, CYS46E, GLN22A, GLN22E, GLN23A, GLN23E, GLN26A, GLN26E, GLN29A, GLN29E, GLU19A, ILE18A, ILE33A, ILE33E, ILE38A, ILE38E, ILE40A, ILE40E, ILE45A, ILE45E, ILE47A, ILE47E, ILE48A, ILE48E, LEU28A, LEU28E, LEU31A, LEU31E, LEU37A, LEU37E, LEU39A, LEU39E, LEU42A, LEU42E, LEU43A, LEU43E, LEU44A, LEU44E, LEU51A, LEU51E, LEU52A, LEU52E, MET20A, MET20E, MET50A, PHE32A, PHE32E, PHE35A, PHE35E, PRO21A, SER16A, THR17A, VAL49A, VAL49E
• B-C: ALA15C, ALA24B, ALA24C, ARG14C, ARG25B, ARG25C, ASN27B, ASN27C, ASN30B, ASN30C, ASN34B, ASN34C, CYS36B, CYS36C, CYS41B, CYS41C, CYS46B, CYS46C, GLN22B, GLN22C, GLN23B, GLN23C, GLN26B, GLN26C, GLN29B, GLN29C, GLU19C, ILE18C, ILE33B, ILE33C, ILE38B, ILE38C, ILE40B, ILE40C, ILE45B, ILE45C, ILE47B, ILE47C, ILE48B, ILE48C, LEU28B, LEU28C, LEU31B, LEU31C, LEU37B, LEU37C, LEU39B, LEU39C, LEU42B, LEU42C, LEU43B, LEU43C, LEU44B, LEU44C, LEU51B, LEU51C, LEU52B, LEU52C, MET20B, MET20C, MET50C, PHE32B, PHE32C, PHE35B, PHE35C, PRO21C, SER16C, THR17C, VAL49B, VAL49C
• B-D: ARG25D, ASN30B, ASN34B, CYS36D, GLN23B, GLN23D, GLN26B, GLN26D, GLN29B, GLN29D, ILE33B, ILE33D, ILE40B, ILE40D, ILE47B, ILE47D, LEU37B, LEU37D, LEU43D, LEU44B, LEU44D, LEU51B, LEU51D
• B-E: ARG25B, ASN30E, ASN34E, CYS36B, GLN23B, GLN23E, GLN26B, GLN26E, GLN29B, GLN29E, ILE33B, ILE33E, ILE40B, ILE40E, ILE47B, ILE47E, LEU37B, LEU37E, LEU43B, LEU44B, LEU44E, LEU51B, LEU51E
• C-D: ALA15D, ALA24C, ALA24D, ARG14D, ARG25C, ARG25D, ASN27C, ASN27D, ASN30C, ASN30D, ASN34C, ASN34D, CYS36C, CYS36D, CYS41C, CYS41D, CYS46C, CYS46D, GLN22C, GLN22D, GLN23C, GLN23D, GLN26C, GLN26D, GLN29C, GLN29D, GLU19D, ILE18D, ILE33C, ILE33D, ILE38C, ILE38D, ILE40C, ILE40D, ILE45C, ILE45D, ILE47C, ILE47D, ILE48C, ILE48D, LEU28C, LEU28D, LEU31C, LEU31D, LEU37C, LEU37D, LEU39C, LEU39D, LEU42C, LEU42D, LEU43C, LEU43D, LEU44C, LEU44D, LEU51C, LEU51D, LEU52C, LEU52D, MET20C, MET20D, MET50D, PHE32C, PHE32D, PHE35C, PHE35D, PRO21D, SER16D, THR17D, VAL49C, VAL49D
• C-E: ARG25E, ASN30C, ASN34C, CYS36E, GLN23C, GLN23E, GLN26C, GLN26E, GLN29C, GLN29E, ILE33C, ILE33E, ILE40C, ILE40E, ILE47C, ILE47E, LEU37C, LEU37E, LEU43E, LEU44C, LEU44E, LEU51C, LEU51E
• D-E: ALA15E, ALA24D, ALA24E, ARG14E, ARG25D, ARG25E, ASN27D, ASN27E, ASN30D, ASN30E, ASN34D, ASN34E, CYS36D, CYS36E, CYS41D, CYS41E, CYS46D, CYS46E, GLN22D, GLN22E, GLN23D, GLN23E, GLN26D, GLN26E, GLN29D, GLN29E, GLU19E, ILE18E, ILE33D, ILE33E, ILE38D, ILE38E, ILE40D, ILE40E, ILE45D, ILE45E, ILE47D, ILE47E, ILE48D, ILE48E, LEU28D, LEU28E, LEU31D, LEU31E, LEU37D, LEU37E, LEU39D, LEU39E, LEU42D, LEU42E, LEU43D, LEU43E, LEU44D, LEU44E, LEU51D, LEU51E, LEU52D, LEU52E, MET20D, MET20E, MET50E, PHE32D, PHE32E, PHE35D, PHE35E, PRO21E, SER16E, THR17E, VAL49D, VAL49E