3K2C

crystal structure of peptidyl-prolyl cis-trans isomerase from encephalitozoon cuniculi at 1.9 a resolution

• Total interactions analyzed: 6
• Total true interactions: 5
• Strongest Interaction:
  • Chains: A-C
  • Int. Res.: 80
  • Norm. En. per Res.: -3.8063
• 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	0.0	0.0	-0.2215	-0.2215	8	0	0	68	0	3	3
A-C	-52.2227	-38.5377	-213.744	-304.5044	80	9	0	7726	4	19	21
B-C	0.0	-18.9469	-75.3481	-94.295	50	1	0	3102	0	45	29
B-D	-43.8955	-12.157	-202.491	-258.5435	85	7	0	7352	2	19	20
C-D	0.0	0.0	-0.3337	-0.3337	12	0	0	69	0	10	4

Interface residues

• A-B: ALA72B, ASN74B, GLN154B, GLU134A, LYS26A, LYS97A, THR76B, THR96A
• A-C: ALA-7C, ALA104A, ALA2C, ARG164C, ARG22C, ARG58A, ASN105A, ASN111A, ASN74A, ASP126A, ASP12C, ASP165C, ASP69A, CYS106A, CYS166C, GLN-4C, GLN-6C, GLN114A, GLN123A, GLN66A, GLU-8C, GLU127A, GLU137C, GLU151A, GLU44C, GLU92A, GLY-1C, GLY-3C, GLY107A, GLY112A, GLY167C, GLY170C, GLY21C, GLY62A, GLY67A, GLY75A, GLY77A, GLY78A, HIS129A, HIS57A, HIS95A, ILE117A, ILE23C, ILE60A, LEU-9C, LEU125A, LEU169C, LEU20C, LYS121A, LYS128A, LYS52C, LYS85A, LYS94A, MET103A, MET1C, MET64A, PHE115A, PHE116A, PHE63A, PRO-2C, SER0C, SER102A, SER113A, SER152A, SER171C, SER19C, THR-10C, THR-5C, THR110A, THR118A, THR122A, THR76A, THR96A, TRP124A, TYR10C, TYR14C, VAL141C, VAL168C, VAL24C, VAL65A
• B-C: ALA15B, ALA15C, ARG160B, ARG160C, ARG164B, ARG164C, ASN16B, ASN16C, ASP69B, GLU162B, GLU162C, GLU17B, GLU17C, GLU18B, GLU18C, GLU49B, GLU49C, GLY158B, GLY158C, GLY48B, GLY48C, GLY50B, GLY53B, GLY53C, HIS73B, HIS73C, ILE161B, ILE161C, LYS156B, LYS156C, LYS157B, LYS157C, LYS47B, LYS47C, LYS52B, LYS52C, PRO46B, PRO46C, SER54B, THR55B, THR55C, THR71B, THR71C, TYR14C, TYR159B, TYR159C, TYR70B, TYR70C, VAL155B, VAL155C
• B-D: ALA104D, ALA2B, ALA5B, ARG164B, ARG22B, ARG58D, ASN105D, ASN111D, ASN74D, ASN8B, ASN90D, ASP126D, ASP12B, ASP165B, ASP69D, CYS106D, CYS166B, GLN-4B, GLN114D, GLN123D, GLN66D, GLU127D, GLU137B, GLU151D, GLU17B, GLU18B, GLU84D, GLU92D, GLY-1B, GLY-3B, GLY107D, GLY112D, GLY167B, GLY21B, GLY67D, GLY75D, GLY77D, GLY78D, GLY7B, HIS109D, HIS129D, HIS57D, HIS95D, ILE117D, ILE23B, ILE60D, LEU125D, LEU169B, LEU20B, LEU93D, LYS121D, LYS128D, LYS144B, LYS52B, LYS85D, LYS94D, MET103D, MET1B, MET64D, PHE115D, PHE116D, PHE63D, PHE86D, PHE91D, PRO-2B, SER0B, SER102D, SER113D, SER19B, SER6B, THR-5B, THR110D, THR118D, THR122D, THR76D, THR96D, TRP124D, TYR10B, TYR14B, VAL13B, VAL141B, VAL168B, VAL24B, VAL65D, VAL9B
• C-D: ALA72C, ASN74C, ASP30D, GLN154C, GLU134D, GLU92D, LYS157C, LYS97D, SER152C, THR76C, VAL136D, VAL155C