1UKP

crystal structure of soybean beta-amylase mutant substituted at surface region

• Total interactions analyzed: 6
• Total true interactions: 5
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 54
  • Norm. En. per Res.: -2.7572
• 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	-39.5307	-3.3572	-106.0	-148.8879	54	4	0	4840	0	20	18
A-D	0.0	14.6869	-73.4007	-58.7138	62	4	2	3716	2	31	26
B-C	-5.9667	15.4372	-71.0365	-61.5661	61	3	2	3705	2	31	25
B-D	0.0	0.0	-49.2223	-49.2223	43	6	1	2348	0	2	8
C-D	0.0	4.9606	-23.3332	-18.3726	37	0	0	1472	3	24	19

Interface residues

• A-B: ALA44A, ALA45A, ARG399B, ARG43A, ARG481B, ASN404B, ASN405B, ASN406B, ASP31A, ASP33A, ASP487B, ASP490B, CYS82A, GLN401B, GLN41A, GLN77A, GLN80A, GLU30A, GLU37A, GLU488B, GLU81A, GLY34A, GLY402B, GLY407B, GLY495B, GLY83A, LEU173A, LEU396B, LEU39A, LEU40A, LEU411B, LEU42A, LEU486B, LEU78A, LEU84A, LYS36A, LYS410B, LYS435A, LYS492B, MET491B, PHE29A, PHE431A, PHE483B, PRO32A, PRO400B, PRO409B, PRO482B, PRO484B, SER171A, THR489B, TRP485B, TYR447A, VAL403B, VAL79A
• A-D: ALA284D, ALA465D, ARG148D, ARG162D, ARG334D, ASN104A, ASN164D, ASN24A, ASN27A, ASN282D, ASN430A, ASN98A, ASP101A, ASP156D, ASP167D, ASP26A, ASP279D, ASP31A, ASP423A, ASP424A, CYS288D, GLN194A, GLN427A, GLU152D, GLU163D, GLU170D, GLU280D, GLU30A, GLY100A, GLY147D, GLY21A, GLY287D, GLY34A, GLY97A, HIS336D, ILE102A, ILE105A, LEU169D, LEU20A, LEU286D, LEU461D, LYS159D, LYS283D, LYS428A, LYS467D, LYS65D, MET165D, PHE168D, PHE285D, PRO460D, PRO463D, PRO466D, SER166D, SER171D, SER422A, SER462D, SER464D, VAL103A, VAL23A, VAL25A, VAL28A, VAL99A
• B-C: ALA284B, ALA465B, ARG148B, ARG162B, ARG334B, ASN104C, ASN164B, ASN24C, ASN27C, ASN282B, ASN430C, ASN98C, ASP101C, ASP156B, ASP167B, ASP26C, ASP279B, ASP31C, ASP423C, ASP424C, CYS288B, GLN194C, GLN427C, GLU152B, GLU163B, GLU170B, GLU280B, GLU30C, GLY100C, GLY147B, GLY21C, GLY287B, GLY34C, GLY97C, HIS336B, ILE102C, ILE105C, LEU169B, LEU20C, LEU286B, LEU461B, LYS159B, LYS283B, LYS428C, LYS467B, LYS65B, MET165B, PHE168B, PHE285B, PRO460B, PRO463B, PRO466B, SER166B, SER171B, SER422C, SER462B, SER464B, VAL103C, VAL25C, VAL28C, VAL99C
• B-D: ALA219D, ALA220D, ALA222D, ALA224D, ALA457B, ARG223D, ARG334D, ASN405B, ASN406B, ASN450B, ASN455B, ASN6B, ASP275D, ASP279D, GLN276D, GLN452B, GLU228D, GLU471D, GLY225D, GLY407B, HIS226D, HIS456B, ILE458B, ILE468D, ILE470D, LEU9B, LYS218D, LYS289B, LYS291B, LYS453B, LYS467D, MET7B, PHE261D, PRO227D, PRO408B, PRO451B, PRO460B, PRO466D, PRO469D, SER462B, THR459B, TYR454B, VAL221D
• C-D: ARG126D, ASN118C, ASN251D, ASP113C, ASP233D, ASP234D, GLN109C, GLN66C, GLU116C, GLU228D, GLU230D, GLU257D, GLY246D, GLY252D, GLY259D, GLY63C, HIS119C, HIS146C, HIS226D, ILE114C, LEU112C, LEU61C, LYS249D, LYS258D, LYS62C, PHE247D, PRO106C, PRO227D, PRO64C, SER117C, SER250D, THR253D, THR256D, TRP110C, TRP229D, TYR254D, VAL255D