2XUV

the structure of hdeb

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: C-D
  • Int. Res.: 82
  • Norm. En. per Res.: -4.3476
• Hub Node: A(3)

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	-68.3867	0.0	-274.306	-342.6927	81	7	9	11129	0	6	13
A-C	0.0	5.3961	-38.7621	-33.366	23	0	0	1457	0	0	6
A-D	0.0	24.3862	-21.3107	3.0755	21	1	0	723	0	0	10
B-C	0.0	0.0	-0.0063	-0.0063	2	0	0	5	0	0	0
B-D	0.0	5.3051	-32.6654	-27.3603	23	0	0	1270	0	0	5
C-D	-81.3719	0.0	-275.13	-356.5019	82	9	9	11365	0	8	15

Interface residues

• A-B: ALA34A, ALA34B, ALA49A, ALA49B, ALA54A, ALA54B, ASN31B, ASN46A, ASN46B, ASN73A, ASN73B, ASP44A, ASP44B, ASP68A, ASP68B, ASP76A, ASP76B, GLN40A, GLN40B, GLU32A, GLU32B, GLU41A, GLU41B, GLU60A, GLU60B, GLU61A, GLU61B, GLY66A, GLY66B, GLY67A, GLY67B, HIS59A, HIS59B, ILE80A, ILE80B, LEU45A, LEU45B, LEU58A, LEU58B, LEU72A, LEU72B, LEU95A, LEU95B, MET37A, MET37B, MET50A, MET50B, MET57A, MET57B, PHE42A, PHE42B, PRO47A, PRO47B, PRO52A, PRO52B, SER33A, SER33B, THR38A, THR38B, THR51A, THR51B, THR62A, THR62B, THR69A, THR69B, THR71A, THR71B, TRP55A, TRP55B, TRP56A, TRP56B, TYR64A, TYR64B, TYR96A, TYR96B, VAL53A, VAL53B, VAL63A, VAL63B, VAL70A, VAL70B
• A-C: ALA49C, ASN46C, ASN90A, ASP44A, ASP44C, CYS39A, CYS87A, GLN40A, GLN40C, GLN92A, GLU41A, GLU41C, GLU85A, ILE43A, ILE43C, ILE84A, LEU45C, MET50C, PHE42C, PRO47C, PRO91A, THR38A, TYR86A
• A-D: ALA49A, ALA49D, ASN46A, ASN46D, ASP44A, ASP44D, GLN40A, GLN40D, GLU32A, GLU32D, GLU41A, GLU41D, ILE43A, ILE43D, LEU45A, LEU45D, MET37D, PHE42A, PRO47A, PRO47D, THR38A
• B-C: ASN46B, ASN46C
• B-D: ALA49B, ASN46B, ASN90D, ASP44B, ASP44D, CYS39D, CYS87D, GLN40B, GLN40D, GLN92D, GLU41B, GLU41D, GLU85D, ILE43B, ILE43D, ILE84D, LEU45B, MET50B, PHE42B, PRO47B, PRO91D, THR38D, TYR86D
• C-D: ALA34C, ALA34D, ALA49C, ALA49D, ALA54C, ALA54D, ASN46C, ASN46D, ASN73C, ASN73D, ASP36C, ASP36D, ASP44C, ASP44D, ASP68C, ASP68D, ASP76C, ASP76D, GLN40C, GLN40D, GLU32C, GLU32D, GLU41C, GLU41D, GLU60C, GLU60D, GLU61C, GLU61D, GLY66C, GLY66D, GLY67C, GLY67D, HIS59C, HIS59D, ILE80C, ILE80D, LEU45C, LEU45D, LEU58C, LEU58D, LEU72C, LEU72D, LEU95C, LEU95D, MET37C, MET37D, MET50C, MET50D, MET57C, MET57D, PHE42C, PHE42D, PRO47C, PRO47D, PRO52C, PRO52D, SER33C, SER33D, THR38C, THR38D, THR51C, THR51D, THR62C, THR62D, THR69C, THR69D, THR71C, THR71D, TRP55C, TRP55D, TRP56C, TRP56D, TYR64C, TYR64D, TYR96C, TYR96D, VAL53C, VAL53D, VAL63C, VAL63D, VAL70C, VAL70D