3IOT

huntingtin amino-terminal region with 17 gln residues - crystal c92-b

• Total interactions analyzed: 3
• Total true interactions: 3
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 77
  • Norm. En. per Res.: -1.3302
• 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	-3.9627	0.0	-98.4593	-102.422	77	5	3	4982	0	9	10
A-C	-7.0549	0.0	-122.475	-129.5299	100	21	4	7089	0	9	10
B-C	-2.6863	0.0	-121.334	-124.0203	97	7	3	6332	0	12	12

Interface residues

• A-B: ALA186B, ALA268A, ALA269A, ALA338B, ALA350B, ALA359B, ALA360B, ALA362B, ALA363B, ALA364B, ALA368B, ALA369B, ALA370B, ALA372B, ALA380A, ALA51A, ALA52A, ALA71A, ALA77A, ARG344B, ARG354B, ASN100A, ASN185B, ASN267A, ASN349B, ASN367B, ASP184B, ASP358B, ASP55A, GLN355B, GLN365B, GLN388A, GLN49A, GLN72A, GLU382A, GLY353B, GLY54A, GLY74A, ILE178A, LEU361B, LEU374A, LEU374B, LEU377A, LEU377B, LEU384A, LEU75A, LEU76A, LYS102A, LYS179B, LYS189B, LYS273A, LYS376A, LYS376B, LYS379A, LYS385A, MET371B, MET378A, PHE381A, PHE381B, PHE387A, PRO334A, PRO48A, SER270A, SER383A, SER386A, SER73A, THR345B, THR356B, THR366B, THR373A, THR373B, THR53A, TYR341B, TYR70A, TYR99A, VAL357B, VAL50A
• A-C: ALA186A, ALA268C, ALA269C, ALA342A, ALA351A, ALA359A, ALA360A, ALA362A, ALA363A, ALA368A, ALA369A, ALA370A, ALA372A, ALA380C, ALA51C, ALA52C, ALA71C, ALA77C, ARG344A, ARG354A, ASN100C, ASN185A, ASN267C, ASN349A, ASN367A, ASP184A, ASP358A, ASP55C, GLN152A, GLN355A, GLN365A, GLN388C, GLN389C, GLN390C, GLN391C, GLN393C, GLN399C, GLN400C, GLN401C, GLN402C, GLN403C, GLN404C, GLN49C, GLN72C, GLU375C, GLU382A, GLU382C, GLY353A, GLY54C, GLY74C, ILE178C, ILE348A, LEU361A, LEU374A, LEU374C, LEU377A, LEU377C, LEU384A, LEU384C, LEU75C, LEU76C, LYS102C, LYS179A, LYS179C, LYS189A, LYS376C, LYS379A, LYS379C, LYS385A, LYS385C, MET371A, MET378A, MET378C, PHE381A, PHE381C, PHE387C, PRO334C, PRO405C, PRO406C, PRO407C, PRO408C, PRO48C, SER270C, SER352A, SER383A, SER383C, SER386A, SER386C, SER73C, THR345A, THR356A, THR366A, THR373A, THR373C, THR53C, TYR341A, TYR70C, TYR99C, VAL357A, VAL50C
• B-C: ALA268B, ALA269B, ALA342C, ALA346C, ALA359C, ALA360C, ALA362C, ALA363C, ALA368C, ALA369C, ALA370C, ALA372B, ALA372C, ALA380B, ALA51B, ALA52B, ALA71B, ALA77B, ARG344C, ARG354C, ASN100B, ASN267B, ASN349C, ASN367C, ASP184C, ASP207C, ASP358C, ASP55B, GLN152C, GLN355C, GLN365C, GLN388B, GLN389B, GLN390B, GLN391B, GLN396B, GLN404C, GLN49B, GLN72B, GLU375B, GLU375C, GLU382B, GLU78B, GLY353C, GLY54B, GLY69B, GLY74B, ILE178B, ILE348C, LEU361C, LEU374C, LEU377B, LEU377C, LEU384B, LEU75B, LEU76B, LYS179B, LYS179C, LYS189C, LYS273B, LYS376B, LYS376C, LYS379B, LYS385B, MET371C, MET378B, PHE381B, PHE387B, PRO154C, PRO334B, PRO405C, PRO406C, PRO407C, PRO408C, PRO409C, PRO410C, PRO411C, PRO412C, PRO413C, PRO414C, PRO48B, SER383B, SER386B, SER73B, THR345C, THR356C, THR366C, THR373B, THR373C, THR53B, TYR341C, TYR70B, TYR99B, VAL343C, VAL347C, VAL357C, VAL50B