1W2T

beta-fructosidase from thermotoga maritima in complex with raffinose

• Total interactions analyzed: 15
• Total true interactions: 8
• Strongest Interaction:
  • Chains: A-E
  • Int. Res.: 45
  • Norm. En. per Res.: -4.7057
• 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-C	-26.5133	30.6963	-84.9512	-80.7681	58	7	0	3578	5	50	60
A-D	-6.9745	-14.1217	-28.3741	-49.4702	44	0	0	1058	1	37	47
A-E	-36.2494	-59.6339	-115.871	-211.7543	45	10	2	4318	6	29	37
B-C	-20.56	9.821	-116.447	-127.186	70	6	0	4630	2	52	65
B-E	0.0	-3.565	-0.8857	-4.4508	19	0	0	189	0	6	15
C-D	-6.0333	-7.2466	-51.2391	-64.5189	33	1	1	1876	2	15	29
D-E	-18.3915	23.6868	-264.769	-259.4737	123	3	10	12588	0	41	41
E-F	-37.427	-0.3964	-117.447	-155.2704	68	6	0	4645	2	55	67

Interface residues

• A-C: ALA377A, ARG149C, ARG196C, ARG230A, ARG230C, ARG351A, ARG351C, ASN226C, ASN287A, ASN287C, ASN288A, ASN288C, ASN395A, ASP201C, ASP352A, ASP352C, ASP375A, ASP375C, GLU199A, GLU199C, GLU219A, GLU219C, GLU222C, GLU228A, GLU228C, GLU289A, GLU289C, GLU333A, GLU353A, GLU353C, GLU374A, GLU374C, GLU376A, GLY218C, GLY223C, ILE355A, LEU220C, LEU225C, LEU354A, LYS200A, LYS200C, LYS221A, LYS221C, LYS224C, LYS229A, LYS229C, LYS349A, LYS370A, LYS370C, MET217C, SER350A, SER371A, THR348A, THR372A, THR372C, VAL227C, VAL373A, VAL373C
• A-D: ARG143A, ARG143D, ARG196A, ARG196D, ARG250A, ARG250D, ASN145A, ASN145D, ASN287A, ASN287D, ASP249A, ASP249D, ASP296A, ASP296D, ASP82A, ASP82D, GLU147A, GLU147D, GLU199A, GLU199D, GLU286A, GLU286D, GLY146A, GLY146D, GLY198A, GLY198D, GLY247A, GLY247D, GLY26A, GLY26D, GLY83A, GLY83D, LYS25A, LYS25D, LYS293A, LYS293D, PHE23A, PHE23D, SER144D, THR248A, THR248D, TYR28D, VAL285A, VAL285D
• A-E: ALA310A, ALA310E, ALA377A, ARG302A, ARG302E, ARG304E, ARG380A, ASN379A, ASP318E, CYS328A, GLN419A, GLU308A, GLU308E, GLU329A, GLU423A, GLU423E, GLU426E, LEU299A, LEU316E, LEU317E, LEU422A, LEU422E, LYS303E, LYS305A, LYS305E, LYS311A, LYS320E, LYS421A, LYS421E, PHE307A, PHE307E, PHE315A, PHE330A, PHE425A, PHE425E, SER312A, SER331A, THR309A, THR309E, THR378A, VAL306E, VAL319E, VAL327A, VAL420A, VAL424E
• B-C: ARG143B, ARG143C, ARG149B, ARG149C, ARG196B, ARG196C, ARG250C, ASN112C, ASN142C, ASN145B, ASN145C, ASP169B, ASP169C, ASP170B, ASP170C, ASP201B, ASP249B, ASP249C, ASP82B, ASP82C, GLU111C, GLU147B, GLU147C, GLU177B, GLU199B, GLU199C, GLU219B, GLU222B, GLU80B, GLU80C, GLY146B, GLY146C, GLY198B, GLY198C, GLY223B, GLY247C, GLY83B, GLY83C, HIS173B, ILE197B, ILE22C, LEU165B, LEU171C, LEU220B, LYS175B, LYS200B, LYS221B, LYS25C, LYS81B, LYS81C, LYS84B, LYS84C, MET109C, PHE172C, PHE23C, PHE246C, PHE86B, PHE86C, SER110C, SER144B, SER144C, SER168B, THR167B, THR248C, TRP148B, TRP148C, TRP174B, TRP24C, TYR176B, VAL79C
• B-E: ARG337E, ASP120B, ASP67B, ASP68B, GLU335E, GLU341E, GLU69B, HIS71B, ILE412E, LEU316E, LYS102B, LYS118B, LYS311E, LYS416E, LYS99B, SER312E, THR314E, THR70B, VAL117B
• C-D: ALA377C, ARG143D, ARG351C, ASN145D, ASN379C, ASN418C, ASP169D, ASP170D, ASP375C, GLN419C, GLU147D, GLU177D, GLU333C, GLU376C, GLY146D, GLY332C, HIS173D, LYS175D, LYS349C, LYS421C, LYS81D, PHE172D, PHE330C, SER144D, SER168D, SER331C, THR167D, THR378C, TRP148D, TRP174D, TYR119D, TYR176D, VAL124D
• D-E: ALA49D, ALA49E, ALA63D, ALA63E, ARG270D, ARG270E, ARG37D, ARG37E, ARG58D, ARG58E, ASN112D, ASN112E, ASN274D, ASN35D, ASN35E, ASN429D, ASN429E, ASN43D, ASN5D, ASN5E, ASP115D, ASP115E, ASP52D, ASP52E, ASP67D, CYS45D, CYS45E, GLU111D, GLU271D, GLU271E, GLU321D, GLU321E, GLU69D, GLU69E, GLY113D, GLY113E, GLY13D, GLY13E, GLY26D, GLY26E, GLY272D, GLY272E, GLY47D, GLY47E, HIS29D, HIS29E, HIS48D, HIS48E, HIS56D, HIS56E, HIS59D, HIS59E, ILE11D, ILE11E, ILE430D, ILE430E, LEU114D, LEU114E, LEU1D, LEU1E, LEU432D, LEU432E, LEU60D, LEU60E, LYS118D, LYS25D, LYS25E, LYS269D, LYS27D, LYS27E, LYS38D, LYS38E, LYS3D, LYS3E, MET85D, MET85E, PHE116D, PHE116E, PHE2D, PHE2E, PHE8D, PHE8E, PHE9D, PHE9E, PRO10D, PRO10E, PRO36D, PRO36E, PRO39D, PRO39E, PRO4D, PRO4E, PRO61D, PRO61E, SER110D, SER110E, SER387E, SER51D, SER51E, THR12D, THR12E, TRP24D, TRP24E, TRP273D, TRP273E, TRP431D, TRP431E, TRP57D, TRP57E, TYR28D, TYR28E, TYR32D, TYR32E, TYR34D, TYR34E, TYR65D, TYR65E, VAL117D, VAL117E, VAL50D, VAL50E, VAL62D, VAL62E
• E-F: ARG143E, ARG143F, ARG149E, ARG149F, ARG196E, ARG196F, ARG250F, ASN142F, ASN145E, ASN145F, ASP169E, ASP169F, ASP170E, ASP170F, ASP201E, ASP249E, ASP249F, ASP82E, ASP82F, GLU111F, GLU147E, GLU147F, GLU177E, GLU199E, GLU199F, GLU219E, GLU222E, GLU282F, GLU80E, GLU80F, GLY146E, GLY146F, GLY198E, GLY198F, GLY247F, GLY26F, GLY83E, GLY83F, HIS173E, ILE197F, ILE22F, LEU165E, LEU171F, LEU220E, LYS175E, LYS221E, LYS25F, LYS81E, LYS81F, LYS84E, LYS84F, PHE172E, PHE23F, PHE246E, PHE246F, PHE86F, SER110F, SER144E, SER144F, SER168E, THR167E, THR248F, TRP148E, TRP148F, TRP174E, TYR119E, TYR176E, VAL79F