3GDV

crystal structure of degs h198p/d320a mutant modified by dfp and in complex with yqf peptide

• Total interactions analyzed: 15
• Total true interactions: 6
• Strongest Interaction:
  • Chains: B-E
  • Int. Res.: 34
  • Norm. En. per Res.: -3.4245
• 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-B	-89.7732	30.0775	-284.86	-344.5557	104	29	6	11938	3	15	16
A-C	-76.4188	40.5063	-291.692	-327.6045	100	21	5	11115	3	8	14
A-D	-36.7647	0.0	-99.3873	-136.152	46	6	4	3815	0	0	0
B-C	-76.4958	23.9809	-310.413	-362.9279	107	18	5	12329	3	12	15
B-E	-40.7179	0.0	-75.7136	-116.4315	34	6	3	2697	0	0	0
C-F	-47.2206	0.0	-118.351	-165.5716	51	13	5	4731	0	0	0

Interface residues

• A-B: ALA145B, ALA157A, ALA175B, ALA194A, ALA194B, ALA45A, ALA50A, ALA50B, ALA55A, ARG146B, ARG147B, ARG178B, ARG52A, ARG53B, ASN144B, ASN160A, ASN163A, ASN197A, ASN200A, ASN207B, ASN48A, ASN60A, ASP153B, ASP193A, ASP193B, ASP221A, ASP221B, ASP38A, ASP41A, GLN109A, GLN166A, GLN170A, GLN170B, GLN191B, GLU211B, GLU227B, GLU230A, GLU230B, GLU42A, GLY152B, GLY159A, GLY165A, GLY171A, GLY171B, GLY180B, GLY210B, GLY226B, GLY231A, GLY231B, GLY233B, HIS150B, ILE143B, ILE151B, ILE158A, ILE168A, ILE172B, ILE173B, ILE179B, ILE196A, ILE232A, ILE232B, LEU156A, LEU156B, LEU164A, LEU181B, LEU209B, LEU49A, LEU49B, MET213B, PHE220A, PHE220B, PHE234B, PRO142B, PRO149B, PRO161A, PRO198A, PRO229A, PRO229B, PRO44A, SER174B, SER195A, SER195B, SER208B, SER219A, SER39A, SER46A, THR167A, THR169A, THR176B, THR192B, THR228A, THR228B, THR40A, THR43A, TYR162A, TYR47A, TYR47B, VAL148B, VAL154A, VAL154B, VAL155A, VAL155B, VAL206B, VAL51A
• A-C: ALA157C, ALA175A, ALA194A, ALA194C, ALA45C, ALA50A, ALA50C, ALA55C, ARG147A, ARG178A, ARG52C, ARG53A, ASN144A, ASN160C, ASN163C, ASN182A, ASN197C, ASN200C, ASN207A, ASN48C, ASN60C, ASP153A, ASP193A, ASP193C, ASP221A, ASP221C, GLN109C, GLN166C, GLN170A, GLN170C, GLN191A, GLU211A, GLU227A, GLU227C, GLU230A, GLU230C, GLU42C, GLY152A, GLY159C, GLY165C, GLY171A, GLY171C, GLY180A, GLY210A, GLY226A, GLY231A, GLY231C, GLY233A, GLY233C, HIS150A, ILE151A, ILE158C, ILE168C, ILE172A, ILE173A, ILE179A, ILE196C, ILE232A, ILE232C, LEU156C, LEU164C, LEU181A, LEU209A, LEU49A, LEU49C, LYS222A, MET213A, PHE220A, PHE220C, PHE234A, PRO149A, PRO161C, PRO198C, PRO229A, PRO229C, PRO44C, SER174A, SER195A, SER195C, SER208A, SER219C, SER223A, SER46A, SER46C, THR167C, THR169C, THR176A, THR192A, THR228A, THR228C, THR43C, TYR162C, TYR47A, TYR47C, VAL148A, VAL154A, VAL154C, VAL155A, VAL155C, VAL51C
• A-D: ALA293A, ALA312A, ALA315A, ALA320A, ALA323A, ARG186A, ARG256A, ARG264A, ASN182A, ASN285A, GLN187A, GLN321A, GLN349A, GLN409D, GLU265A, GLU286A, GLU317A, GLY185A, GLY257A, GLY260A, GLY262A, GLY263A, ILE179A, ILE259A, ILE261A, ILE282A, ILE304A, ILE348A, LEU316A, MET319A, PHE410D, PRO183A, PRO292A, PRO352A, SER288A, SER314A, THR184A, THR318A, TYR258A, TYR351A, TYR408D, VAL283A, VAL284A, VAL307A, VAL322A, VAL333A
• B-C: ALA145C, ALA157B, ALA175C, ALA194B, ALA194C, ALA45B, ALA50B, ALA50C, ALA54C, ALA55B, ARG146C, ARG147C, ARG178C, ARG52B, ARG52C, ARG53C, ASN144C, ASN160B, ASN163B, ASN197B, ASN200B, ASN207C, ASN48B, ASN60B, ASP153C, ASP193B, ASP193C, ASP221B, ASP221C, ASP38B, ASP41B, GLN109B, GLN166B, GLN170B, GLN170C, GLN191C, GLU211C, GLU227C, GLU230B, GLU230C, GLU42B, GLY152C, GLY159B, GLY165B, GLY171B, GLY171C, GLY180C, GLY210C, GLY231B, GLY231C, GLY233C, HIS150C, ILE141C, ILE143C, ILE151C, ILE158B, ILE168B, ILE172C, ILE173C, ILE179C, ILE196B, ILE232B, ILE232C, LEU156B, LEU164B, LEU209C, LEU212C, LEU49B, LEU49C, LYS222C, MET213C, PHE220B, PHE220C, PHE234C, PHE37B, PRO142C, PRO149C, PRO161B, PRO198B, PRO229B, PRO229C, PRO44B, SER174C, SER195B, SER195C, SER208C, SER219B, SER39B, SER46B, THR140C, THR167B, THR169B, THR176C, THR192C, THR228B, THR228C, THR40B, THR43B, TYR162B, TYR47B, TYR47C, VAL148C, VAL154B, VAL154C, VAL155B, VAL155C, VAL51B
• B-E: ALA293B, ALA312B, ALA320B, ALA323B, ARG186B, ASN285B, GLN409E, GLU286B, GLU317B, GLY185B, GLY257B, GLY260B, ILE259B, ILE261B, ILE282B, ILE304B, ILE348B, LEU316B, MET319B, PHE410E, PRO289B, PRO292B, SER288B, THR184B, THR318B, TYR258B, TYR351B, TYR408E, VAL283B, VAL284B, VAL287B, VAL307B, VAL322B, VAL333B
• C-F: ALA293C, ALA312C, ALA315C, ALA320C, ALA323C, ARG186C, ARG256C, ARG264C, ASN182C, ASN188C, ASN285C, GLN187C, GLN321C, GLN349C, GLN409F, GLU265C, GLU286C, GLY180C, GLY185C, GLY257C, GLY260C, GLY262C, GLY263C, ILE179C, ILE259C, ILE261C, ILE282C, ILE304C, ILE325C, ILE348C, LEU124C, LEU316C, MET319C, PHE410F, PRO183C, PRO289C, PRO292C, PRO352C, SER288C, SER314C, THR184C, THR318C, TYR258C, TYR351C, TYR408F, VAL283C, VAL284C, VAL287C, VAL307C, VAL322C, VAL333C