3IE0

crystal structure of s378y mutant ttha0252 from thermus thermophilus hb8

• Total interactions analyzed: 6
• Total true interactions: 4
• Strongest Interaction:
  • Chains: A-D
  • Int. Res.: 139
  • Norm. En. per Res.: -2.5982
• 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	-10.7769	16.7706	-152.217	-146.2233	69	6	3	6604	0	17	27
A-D	-74.9641	-10.6546	-275.534	-361.1528	139	24	3	11789	14	35	26
B-C	-46.0418	-15.4235	-208.254	-269.7193	122	13	3	9172	5	24	21
B-D	0.0	0.0	-2.0155	-2.0155	6	0	0	138	0	6	5

Interface residues

• A-B: ALA245A, ALA245B, ALA286A, ALA286B, ALA296A, ALA296B, ALA299A, ALA299B, ALA303A, ALA303B, ARG244A, ARG244B, ARG284A, ARG284B, ARG302A, ARG302B, ARG320A, ARG320B, ASN301A, ASN301B, ASP250B, GLU289A, GLU289B, GLU292A, GLU292B, GLU295A, GLU295B, GLY215A, GLY287A, GLY287B, GLY305A, GLY305B, HIS293A, HIS293B, ILE247A, ILE247B, LEU212A, LEU288A, LEU288B, LEU300A, LEU300B, LYS217A, LYS217B, LYS298A, LYS298B, MET307A, MET307B, PRO243A, PRO243B, PRO246A, PRO246B, PRO252A, PRO252B, PRO285A, PRO285B, PRO304A, PRO304B, PRO306A, PRO306B, SER297A, SER297B, THR294A, THR294B, TYR248A, TYR248B, VAL290A, VAL290B, VAL291A, VAL291B
• A-D: ALA131A, ALA131D, ALA135A, ALA135D, ALA139A, ALA139D, ALA146A, ALA146D, ALA150A, ALA180A, ALA180D, ALA274A, ALA274D, ARG128A, ARG128D, ARG155A, ARG155D, ARG263A, ARG263D, ARG266A, ARG266D, ARG84A, ARG84D, ASP173A, ASP173D, ASP181A, ASP181D, ASP388A, ASP388D, GLN138A, GLN138D, GLN151A, GLN151D, GLN273A, GLN273D, GLN391A, GLN391D, GLN418A, GLN418D, GLU122A, GLU122D, GLU125A, GLU125D, GLU153A, GLU153D, GLU270A, GLU270D, GLU271A, GLU393A, GLU393D, GLY124A, GLY124D, GLY130A, GLY130D, GLY137A, GLY137D, GLY152A, GLY152D, GLY154A, GLY154D, GLY22A, GLY22D, GLY392A, GLY392D, LEU121A, LEU121D, LEU127A, LEU127D, LEU129A, LEU129D, LEU132A, LEU132D, LEU134A, LEU134D, LEU157A, LEU157D, LEU176A, LEU176D, LEU179A, LEU179D, LEU260A, LEU260D, LEU264A, LEU264D, LEU277A, LEU277D, LEU390A, LEU390D, LEU88A, LEU88D, PHE136A, PHE136D, PHE147A, PHE147D, PHE268A, PHE268D, PHE276A, PHE276D, PRO120A, PRO120D, PRO172A, PRO172D, PRO174A, PRO174D, PRO177A, PRO177D, PRO178A, PRO178D, PRO262A, PRO262D, PRO394A, PRO394D, SER133A, SER133D, SER175A, SER175D, SER259D, SER269A, SER269D, THR156A, THR156D, TRP126A, TRP126D, TRP389A, TRP389D, TYR123A, TYR123D, TYR261A, TYR261D, TYR267A, TYR267D, VAL149A, VAL149D, VAL158A, VAL158D, VAL183A, VAL183D, VAL265A, VAL265D
• B-C: ALA131B, ALA131C, ALA135B, ALA135C, ALA150B, ALA150C, ALA180B, ALA180C, ALA274B, ARG128B, ARG128C, ARG155B, ARG155C, ARG263B, ARG263C, ARG266B, ARG266C, ARG84B, ARG84C, ASP173B, ASP173C, ASP181B, ASP181C, ASP388B, ASP388C, GLN138B, GLN138C, GLN151B, GLN151C, GLN273B, GLN273C, GLN391B, GLN391C, GLN418B, GLN418C, GLU122B, GLU122C, GLU125B, GLU125C, GLU153B, GLU153C, GLU270B, GLU270C, GLU271B, GLU393B, GLU393C, GLY124B, GLY124C, GLY130B, GLY130C, GLY137B, GLY137C, GLY152B, GLY152C, GLY154B, GLY154C, GLY22B, GLY22C, GLY279B, GLY279C, GLY392B, GLY392C, LEU121B, LEU121C, LEU127B, LEU127C, LEU129B, LEU129C, LEU132B, LEU132C, LEU134B, LEU134C, LEU176B, LEU176C, LEU179B, LEU179C, LEU277B, LEU277C, LEU390B, LEU390C, PHE136B, PHE136C, PHE147B, PHE147C, PHE268B, PHE276B, PHE276C, PRO172B, PRO172C, PRO174B, PRO174C, PRO177B, PRO177C, PRO178B, PRO178C, PRO262B, PRO262C, PRO394B, PRO394C, SER133B, SER133C, SER175B, SER175C, SER269B, THR156B, THR156C, TRP126B, TRP126C, TRP389B, TRP389C, TYR123B, TYR123C, TYR267C, VAL149B, VAL149C, VAL158B, VAL158C, VAL183B, VAL183C, VAL265B, VAL265C, VAL272B
• B-D: ARG244D, ARG77B, GLU112B, GLU113B, HIS117B, LYS280D