3BDX

crystal structure of the unstable and highly fibrillogenic pro7ser mutant of the recombinant variable domain 6ajl2

• Total interactions analyzed: 3
• Total true interactions: 3
• Strongest Interaction:
  • Chains: A-C
  • Int. Res.: 65
  • Norm. En. per Res.: -2.5917
• 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	-18.0234	-25.1304	-125.753	-168.9069	66	3	1	5124	2	6	5
A-C	-10.9051	-4.6216	-152.931	-168.4577	65	15	0	5841	0	5	3
B-C	0.0	0.0	-0.7978	-0.7978	7	0	0	83	0	0	0

Interface residues

• A-B: ARG40A, ASN1A, ASN98A, ASN98B, ASP88A, ASP88B, CYS91A, CYS91B, GLN35A, GLN35B, GLN39A, GLN39B, GLN54A, GLN54B, GLN6A, GLN6B, GLN92A, GLN92B, GLU51A, GLU51B, GLY103A, GLY103B, GLY104A, GLY104B, GLY105A, GLY105B, GLY42A, GLY42B, HIS99A, HIS99B, LYS107A, PHE102A, PHE102B, PRO45A, PRO45B, PRO56A, PRO56B, SER43A, SER43B, SER44A, SER44B, SER57B, SER93B, SER97A, SER97B, THR106A, THR106B, THR46A, THR46B, THR47A, THR47B, TYR33A, TYR33B, TYR37A, TYR37B, TYR50A, TYR50B, TYR89A, TYR90A, TYR90B, TYR94A, TYR94B, VAL100A, VAL100B, VAL101A, VAL101B
• A-C: ALA74A, ARG24A, ARG40C, ASN1A, ASN1C, ASN32C, ASN72A, ASN98C, ASP68A, ASP88C, ASP95C, CYS22A, CYS91C, GLN35C, GLN38C, GLN39C, GLN6A, GLN92C, GLU51C, GLY103C, GLY104C, GLY105C, GLY27A, GLY42C, HIS8A, HIS99C, ILE20A, LEU4A, LEU76A, MET3A, PHE102C, PHE2A, PRO41C, PRO45C, SER11A, SER21A, SER25A, SER26A, SER31C, SER43C, SER44C, SER71A, SER73A, SER75A, SER7A, SER93C, SER96C, SER97C, SER9A, THR106A, THR19A, THR23A, THR46C, THR47C, THR5A, TRP36C, TYR33C, TYR37C, TYR90C, TYR94C, VAL100C, VAL101A, VAL101C, VAL10A, VAL48C
• B-C: GLY42C, GLY58B, PRO41C, PRO56B, SER43C, SER44C, SER57B