3QTE

crystal structure of human alpha-defensin 6 (h27w mutant)

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: B-C
  • Int. Res.: 32
  • Norm. En. per Res.: -5.3642
• 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	-36.3246	0.0	-58.1761	-94.5007	36	8	1	2645	0	0	0
A-C	0.0	0.0	-50.6484	-50.6484	22	4	1	1816	0	1	0
A-D	-2.6603	0.0	-17.0563	-19.7166	14	0	0	661	0	0	0
B-C	-53.0996	0.0	-118.554	-171.6536	32	4	0	3625	0	0	0
B-D	0.0	0.0	-0.0164	-0.0164	4	0	0	12	0	0	2
C-D	0.0	0.0	-23.5314	-23.5314	22	1	0	1158	0	1	1

Interface residues

• A-B: ARG28A, ARG28B, ASN26A, ASN26B, CYS20A, CYS20B, CYS30A, CYS31A, CYS31B, CYS4A, CYS4B, CYS6A, CYS6B, GLY18A, GLY18B, GLY24A, GLY24B, HIS5A, HIS5B, ILE25A, ILE25B, MET23A, MET23B, PHE29A, PHE29B, SER16A, THR19A, THR19B, THR21A, THR21B, TRP27A, TRP27B, TYR17A, TYR17B, VAL22A, VAL22B
• A-C: ALA1C, ARG8A, CYS10C, CYS30C, CYS31C, CYS4C, CYS6A, GLU14C, GLY18C, GLY24A, ILE25A, LEU32C, MET23A, PHE29C, PHE2C, SER16C, THR21A, THR3C, TRP27A, TYR15C, TYR17C, VAL22A
• A-D: ARG7A, ASN26D, CYS4A, CYS6A, GLU14A, GLY24D, HIS5A, ILE25D, MET23D, THR21D, THR3A, TRP27A, TYR11A, VAL22D
• B-C: ALA1B, ALA1C, ARG28B, ARG7B, ARG7C, CYS20B, CYS20C, CYS30B, CYS30C, CYS31B, CYS31C, CYS4B, CYS4C, CYS6B, CYS6C, GLY18B, GLY18C, HIS5B, HIS5C, LEU32B, LEU32C, PHE29B, PHE29C, PHE2B, PHE2C, SER16B, THR19B, THR19C, THR3B, THR3C, TYR17B, TYR17C
• B-D: ARG28D, CYS4B, PHE2B, THR3B
• C-D: ALA1C, ARG28D, ARG7C, ARG8D, ASN26D, CYS20D, CYS31C, CYS4C, GLU14C, GLY18D, HIS5C, LEU32C, PHE29D, PHE2C, SER16D, SER9D, THR13C, THR19D, THR3C, TRP27D, TYR15C, TYR17D