1VKD

crystal structure of a predicted glycosidase (tm1225) from thermotoga maritima msb8 at 2.10 a resolution

• Total interactions analyzed: 15
• Total true interactions: 5
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 100
  • Norm. En. per Res.: -3.9657
• 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	-55.5858	-26.1194	-314.867	-396.5722	100	9	2	11426	2	32	32
A-D	-20.0288	-34.8287	-54.6507	-109.5082	36	1	0	2133	3	18	18
C-D	-48.2667	-21.5052	-321.377	-391.1489	101	8	2	11600	2	31	32
D-F	0.0	15.6749	-68.4212	-52.7463	51	2	0	3149	0	24	26
E-F	-45.974	-10.9076	-326.106	-382.9876	104	8	2	11743	1	32	33

Interface residues

• A-B: ALA146A, ALA146B, ARG152A, ARG152B, ARG170A, ARG170B, ARG197A, ARG197B, ARG202A, ARG202B, ASN145A, ASN145B, ASN151A, ASN151B, ASN169A, ASN169B, ASN174A, ASN174B, ASN195A, ASN195B, ASP123A, ASP123B, ASP124A, ASP124B, ASP173A, ASP173B, ASP181A, ASP181B, ASP189A, ASP189B, GLU186A, GLU186B, GLY126A, GLY126B, GLY175A, GLY175B, GLY180A, GLY180B, GLY194A, GLY194B, GLY201A, GLY201B, HIS125A, HIS125B, HIS192A, HIS192B, HIS196A, HIS196B, ILE129A, ILE129B, ILE182A, ILE182B, ILE191A, ILE191B, LEU143A, LEU168A, LEU168B, LEU184A, LEU184B, LYS164A, LYS164B, PHE150A, PHE150B, PHE179A, PHE179B, PHE183A, PHE183B, PHE198A, PHE198B, PRO127A, PRO144A, PRO144B, PRO149A, PRO149B, PRO171A, PRO171B, PRO178A, PRO178B, PRO188A, PRO188B, SER172A, SER172B, SER185A, SER185B, SER187A, SER187B, THR128A, THR128B, THR177A, THR177B, TRP193A, TRP193B, TYR147A, TYR147B, TYR165A, TYR165B, VAL148A, VAL148B, VAL199A, VAL199B
• A-D: ARG159A, ARG260D, ARG262D, ARG323D, ASN162A, ASN206D, ASN324D, ASP250A, ASP252A, ASP253A, ASP319D, CB8.0071519.53161, GLU221A, GLU224A, GLY225A, HIS0A, HIS0A5, ILE161A, LEU251A, LEU258A, LEU258D, LYS256D, LYS2A, LYS322D, LYS7A, PHE320D, PHE4A, SER223A, SER325D, THR222A, TRP226A, TYR205D, TYR259D, TYR263D, VAL321D, VAL3A
• C-D: ALA146C, ALA146D, ARG152C, ARG152D, ARG170C, ARG170D, ARG197C, ARG197D, ARG202C, ARG202D, ASN145C, ASN145D, ASN151C, ASN151D, ASN169C, ASN169D, ASN174C, ASN174D, ASN195C, ASN195D, ASP123C, ASP123D, ASP124C, ASP124D, ASP173C, ASP173D, ASP181C, ASP181D, ASP189C, ASP189D, GLU186C, GLU186D, GLY126C, GLY126D, GLY175C, GLY175D, GLY180C, GLY180D, GLY194C, GLY194D, GLY201C, GLY201D, HIS125C, HIS125D, HIS192C, HIS192D, HIS196C, HIS196D, ILE129C, ILE129D, ILE182C, ILE182D, ILE191C, ILE191D, LEU143C, LEU143D, LEU168C, LEU184C, LEU184D, LYS164C, LYS164D, PHE150C, PHE150D, PHE179C, PHE179D, PHE183C, PHE183D, PHE198C, PHE198D, PRO127C, PRO127D, PRO144C, PRO144D, PRO149C, PRO149D, PRO171C, PRO171D, PRO178C, PRO178D, PRO188C, PRO188D, SER172C, SER172D, SER185C, SER185D, SER187C, SER187D, THR128C, THR128D, THR177C, THR177D, TRP193C, TRP193D, TYR147C, TYR147D, TYR165C, TYR165D, VAL148C, VAL148D, VAL199C, VAL199D
• D-F: ASN53F, ASN95F, ASP114F, ASP136F, ASP93F, GLN100D, GLN90D, GLN90F, GLU113F, GLU6F, GLU85D, GLU87D, GLU88D, GLU97D, GLU97F, GLY41D, GLY54F, GLY96D, GLY96F, HIS64D, ILE84D, ILE89D, LYS111F, LYS135F, LYS138D, LYS138F, LYS40D, PHE137F, PHE140D, PHE140F, PHE70D, PHE99D, PRO101D, PRO39D, PRO86D, PRO98D, PRO98F, SER102D, THR115F, THR134F, THR139D, THR139F, TRP91D, TRP91F, TYR116F, TYR52F, VAL141F, VAL38D, VAL92D, VAL92F, VAL94F
• E-F: ALA146E, ALA146F, ARG152E, ARG152F, ARG170E, ARG170F, ARG197E, ARG197F, ARG202E, ARG202F, ASN145E, ASN145F, ASN151E, ASN151F, ASN169E, ASN169F, ASN174E, ASN174F, ASN195E, ASN195F, ASP123E, ASP123F, ASP124E, ASP124F, ASP173E, ASP173F, ASP181E, ASP181F, ASP189E, ASP189F, GLU186E, GLU186F, GLY126E, GLY126F, GLY175E, GLY175F, GLY180E, GLY180F, GLY194E, GLY194F, GLY201E, GLY201F, HIS125E, HIS125F, HIS192E, HIS192F, HIS196E, HIS196F, ILE129E, ILE129F, ILE182E, ILE182F, ILE191E, ILE191F, LEU143E, LEU143F, LEU168E, LEU168F, LEU184E, LEU184F, LYS164E, LYS164F, PHE150E, PHE150F, PHE179E, PHE179F, PHE183E, PHE183F, PHE198E, PHE198F, PHE99E, PHE99F, PRO127E, PRO127F, PRO144E, PRO144F, PRO149E, PRO149F, PRO171E, PRO171F, PRO178E, PRO178F, PRO188E, PRO188F, SER172E, SER172F, SER185E, SER185F, SER187E, SER187F, THR128E, THR128F, THR177E, THR177F, TRP193E, TRP193F, TYR147E, TYR147F, TYR165E, TYR165F, VAL148E, VAL148F, VAL199E, VAL199F