3B78

structure of the eef2-exoa(r551h)-nad+ complex

• Total interactions analyzed: 15
• Total true interactions: 7
• Strongest Interaction:
  • Chains: B-C
  • Int. Res.: 36
  • Norm. En. per Res.: -3.339
• Hub Node: A(4)

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	-10.5842	-16.0784	-156.594	-183.2565	92	8	1	6956	2	49	39
A-C	0.0	0.0	-2.7679	-2.7679	13	0	0	182	1	8	9
A-E	0.0	0.0	-0.0036	-0.0036	3	0	0	4	0	2	0
A-F	-2.5388	-31.8916	-56.8507	-91.2811	37	4	0	2307	3	16	15
B-C	-19.9195	-34.5479	-65.7373	-120.2047	36	3	0	2443	3	16	13
C-D	-31.9965	-25.9424	-173.894	-231.8328	93	4	1	7772	5	55	33
E-F	-7.2046	-16.3966	-167.806	-191.4072	95	3	1	7755	2	58	39

Interface residues

• A-B: ALA489B, ALA492A, ALA665A, ALA666A, ARG412B, ARG490B, ARG492B, ARG494B, ARG576B, ARG710A, ARG711A, ARG823A, ARG825A, ASN495B, ASN577B, ASN581A, ASP461B, ASP484B, ASP488B, ASP574B, ASP581B, ASP583B, ASP639A, ASP661A, ASP840A, GLN483B, GLN485B, GLN668A, GLN704A, GLN836A, GLU486B, GLU494A, GLU524A, GLU527A, GLU546B, GLU547B, GLU673A, GLU837A, GLY480B, GLY491B, GLY526A, GLY579B, GLY580B, GLY674A, GLY678A, GLY701A, GLY702A, GLY703A, GLY827A, GLY834A, HIS528A, HIS551B, HIS826A, ILE493B, ILE529A, ILE676A, ILE698A, ILE705A, ILE706A, LEU477B, LEU582B, LYS578A, LYS582A, LYS829A, LYS841A, MET828A, PHE677A, PRO487B, PRO575B, PRO580A, PRO584B, PRO675A, PRO707A, PRO833A, SER410B, SER523A, SER525A, SER577A, SER579A, SER585B, SER586B, SER662A, THR411B, THR708A, TRP669A, TRP835A, TYR481B, TYR714A, TYR838A, TYR839A, VAL578B, VAL664A
• A-C: ALA498A, ARG617C, ASN497A, ASN499A, ASP313A, ASP621C, ASP622C, GLU315A, LEU314A, LYS293A, LYS496A, LYS87C, LYS92C
• A-E: ALA498E, ARG617A, ASP621A
• A-F: ALA399F, ALA425F, ALA620A, ALA630A, ALA652A, ARG421F, ARG427F, ARG432F, ARG617A, ARG631A, ARG685A, ASN416F, ASP403F, ASP406F, ASP626A, ASP629A, GLN424F, GLN428F, GLN649A, GLU431F, GLY402F, GLY404F, GLY405F, ILE647A, LEU401F, LEU429F, LYS613A, LYS632A, LYS651A, PHE400F, THR628A, THR650A, TRP625A, TYR434F, VAL407F, VAL627A, VAL653A
• B-C: ALA399B, ALA425B, ALA620C, ALA630C, ALA652C, ARG421B, ARG427B, ARG432B, ARG617C, ARG631C, ARG685C, ASN416B, ASP403B, ASP406B, ASP626C, ASP629C, GLN424B, GLN428B, GLN649C, GLU431B, GLY402B, GLY404B, GLY405B, ILE647C, LEU401B, LEU429B, LYS613C, LYS632C, LYS651C, PHE400B, THR628C, THR650C, TRP625C, VAL407B, VAL627C, VAL653C
• C-D: ALA476D, ALA482D, ALA665C, ALA666C, ALA670C, ARG412D, ARG490D, ARG492D, ARG494D, ARG576D, ARG710C, ARG711C, ARG823C, ASN495D, ASN577D, ASN581C, ASP461D, ASP484D, ASP488D, ASP574D, ASP581D, ASP583D, ASP639C, ASP661C, ASP840C, GLN483D, GLN485D, GLN668C, GLN704C, GLN836C, GLU486D, GLU524C, GLU527C, GLU546D, GLU547D, GLU673C, GLU837C, GLY480D, GLY491D, GLY526C, GLY579D, GLY580D, GLY674C, GLY678C, GLY701C, GLY702C, GLY703C, GLY827C, GLY834C, HIS551D, HIS583C, HIS826C, ILE493D, ILE698C, ILE705C, ILE706C, LEU477D, LEU582D, LEU842C, LYS578C, LYS582C, LYS672C, LYS829C, LYS841C, MET522C, MET828C, PHE677C, PRO487D, PRO575D, PRO580C, PRO584D, PRO638C, PRO675C, PRO707C, PRO833C, SER523C, SER525C, SER577C, SER579C, SER585D, SER586D, SER662C, THR411D, THR671C, THR708C, TRP669C, TYR479D, TYR481D, TYR521C, TYR714C, TYR838C, TYR839C, VAL578D
• E-F: ALA476F, ALA482F, ALA489F, ALA665E, ALA666E, ARG412F, ARG490F, ARG492F, ARG494F, ARG576F, ARG710E, ARG711E, ARG823E, ASN495F, ASN577F, ASN581E, ASP461F, ASP484F, ASP488F, ASP574F, ASP581F, ASP583F, ASP661E, ASP840E, GLN483F, GLN485F, GLN668E, GLN704E, GLN836E, GLU486F, GLU524E, GLU527E, GLU546F, GLU547F, GLU673E, GLU837E, GLY480F, GLY491F, GLY526E, GLY579F, GLY580F, GLY674E, GLY678E, GLY701E, GLY702E, GLY703E, GLY827E, GLY834E, HIS528E, HIS551F, HIS583E, HIS826E, ILE493F, ILE698E, ILE705E, ILE706E, LEU462F, LEU477F, LEU582F, LEU842E, LYS578E, LYS582E, LYS672E, LYS829E, LYS841E, MET522E, MET828E, PHE677E, PRO487F, PRO572F, PRO575F, PRO580E, PRO584F, PRO675E, PRO707E, PRO833E, SER410F, SER523E, SER525E, SER577E, SER579E, SER585F, SER586F, SER662E, THR411F, THR573F, THR708E, TRP669E, TYR479F, TYR481F, TYR521E, TYR714E, TYR838E, TYR839E, VAL578F