2YJL

structural characterization of a secretin pilot protein from the type iii secretion system (t3ss) of pseudomonas aeruginosa

• Total interactions analyzed: 3
• Total true interactions: 3
• Strongest Interaction:
  • Chains: B-C
  • Int. Res.: 54
  • Norm. En. per Res.: -3.9684
• 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	-20.8623	-63.5484	-133.046	-217.4566	57	5	4	5315	4	13	12
A-C	-3.3214	0.0	-4.3399	-7.6613	5	0	0	199	0	1	0
B-C	-22.1638	-57.8338	-134.296	-214.2936	54	3	4	5407	4	13	11

Interface residues

• A-B: ALA106B, ALA111A, ALA112A, ALA51A, ALA51B, ALA87A, ALA87B, ARG123B, ARG46B, ARG48B, ARG56B, ARG82A, ARG91B, ASP81A, GLN108B, GLN109A, GLN109B, GLN54B, GLN58B, GLU116A, GLU79A, GLU84A, GLU86A, GLU86B, GLU93B, GLY113A, GLY55B, GLY85A, GLY85B, ILE60B, LEU78A, LEU83A, LEU88A, LEU90B, LYS26A, MET57A, MET57B, PRO25A, SER105B, SER24A, THR28A, THR59B, THR92B, TRP107B, TYR50B, TYR89A, TYR89B, VAL102B, VAL110A, VAL114A, VAL27A, VAL29A, VAL52A, VAL52B, VAL53A, VAL53B, VAL80A
• A-C: ALA112A, ARG56C, ASP115A, GLY113A, VAL114A
• B-C: ALA106C, ALA111B, ALA112B, ALA51C, ALA87B, ALA87C, ARG123C, ARG46C, ARG48C, ARG56C, ARG82B, ARG91C, ASP81B, GLN108C, GLN109B, GLN109C, GLN54C, GLN58C, GLU116B, GLU79B, GLU84B, GLU86B, GLU86C, GLU93C, GLY113B, GLY55C, GLY85B, GLY85C, ILE60C, LEU78B, LEU83B, LEU88B, LEU90C, LYS26B, MET57C, PRO25B, SER105C, SER24B, THR28B, THR59C, THR92C, TRP107C, TYR50C, TYR89B, TYR89C, VAL102C, VAL110B, VAL114B, VAL27B, VAL29B, VAL52B, VAL52C, VAL53C, VAL80B