3O4A

crystal structure of symfoil-2: de novo designed beta-trefoil architecture with symmetric primary structure

• Total interactions analyzed: 6
• Total true interactions: 5
• Strongest Interaction:
  • Chains: B-C
  • Int. Res.: 36
  • Norm. En. per Res.: -3.1296
• 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	-16.7387	-20.2501	-49.7769	-86.7657	37	4	0	1926	0	16	20
A-C	0.0	9.0965	-1.2384	7.8581	20	0	0	263	0	20	25
B-C	-17.3418	-16.9138	-78.4112	-112.6669	36	4	0	3012	3	15	16
B-D	0.0	20.2564	-9.9613	10.295	24	0	0	604	0	20	16
C-D	0.0	1.0975	-16.253	-15.1555	24	3	0	825	0	12	8

Interface residues

• A-B: ARG125A, ARG125B, ASP124A, ASP124B, ASP127A, ASP127B, GLN128A, GLN128B, GLN131A, GLN131B, GLU18A, GLU18B, GLU90A, GLU90B, GLU94A, GLU94B, GLY91A, GLY91B, GLY92A, GLY92B, GLY93B, HIS129A, HIS129B, ILE130A, ILE130B, LEU96A, LEU96B, PRO89A, PRO89B, SER126A, SER126B, SER88A, SER88B, THR17A, THR17B, TYR108A, TYR108B
• A-C: ARG110A, ARG110C, ARG123A, ARG123C, ASN112A, ASN112C, ASP124A, ASP124C, ASP127A, ASP127C, GLN128A, GLN128C, HIS129A, HIS129C, PRO113A, PRO113C, SER126A, SER126C, THR123A, THR123C
• B-C: ARG35B, ARG35C, ARG37B, ASN112B, ASN112C, ASP114B, ASP114C, ASP127C, ASP36B, GLN128B, GLN128C, GLN21B, GLN21C, GLU18B, GLU18C, GLU94B, GLU94C, GLY20B, GLY20C, HIS129B, HIS129C, ILE111B, ILE111C, LYS15B, LYS15C, PRO113B, PRO113C, SER126C, SER16B, SER16C, THR17B, THR17C, THR19B, THR19C, TYR22B, TYR22C
• B-D: ARG24B, ARG24D, ARG35B, ARG35D, ARG37B, ARG37D, ASP114D, ASP28B, ASP28D, ASP32D, ASP36B, ASP36D, ASP39B, ASP39D, GLN21B, GLN21D, GLN40B, GLY115D, GLY33B, HIS41B, SER38B, SER38D, THR34B, THR34D
• C-D: ARG35C, ARG35D, ARG37C, ARG37D, ASP36D, GLN133D, GLU137C, GLU137D, GLY20C, GLY20D, ILE42C, ILE42D, LEU13C, LEU13D, LYS15C, LYS15D, PRO136C, PRO136D, SER135C, SER135D, SER38C, SER38D, TYR22C, TYR22D