3U1N

structure of the catalytic core of human samhd1

• Total interactions analyzed: 6
• Total true interactions: 3
• Strongest Interaction:
  • Chains: B-C
  • Int. Res.: 194
  • Norm. En. per Res.: -2.8024
• 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	-8.7813	-55.4708	-70.0686	-134.3207	52	13	3	3353	6	24	30
A-D	-36.2454	2.8491	-486.207	-519.6033	192	32	2	20098	0	50	61
B-C	-46.6293	1.9132	-498.94	-543.656	194	29	2	20251	0	52	60

Interface residues

• A-B: ARG333A, ARG333B, ARG352A, ARG352B, ARG371A, ARG371B, ARG372A, ARG372B, ASN327A, ASN327B, ASN328A, ASN328B, ASN358A, ASN358B, ASP330A, ASP330B, ASP353A, ASP353B, ASP361A, ASP361B, CYS522A, CYS522B, GLN326A, GLN326B, GLU355A, GLU355B, GLY357A, GLY357B, HIS364A, HIS364B, LEU359A, LEU359B, LYS336A, LYS336B, LYS354A, LYS354B, LYS523A, LYS523B, PHE329A, PHE329B, PHE337A, PHE337B, SER368A, SER368B, THR365A, THR365B, THR524A, THR524B, TYR360A, TYR360B, VAL356A, VAL356B
• A-D: ALA160A, ALA160D, ALA373A, ALA373D, ARG134A, ARG134D, ARG143A, ARG143D, ARG145A, ARG145D, ARG164A, ARG164D, ARG318A, ARG318D, ARG371A, ARG371D, ARG372A, ARG372D, ARG442A, ARG442D, ARG451A, ARG451D, ASN163A, ASN163D, ASN248A, ASN248D, ASN425A, ASN425D, ASN452A, ASN452D, ASP120A, ASP120D, ASP137A, ASP137D, ASP319A, ASP319D, ASP424A, ASP424D, CYS320A, CYS320D, GLN140A, GLN140D, GLN142A, GLN142D, GLN149A, GLN149D, GLN326A, GLN375A, GLN447A, GLN447D, GLU166A, GLU166D, GLU429A, GLU429D, GLU449A, GLU449D, GLY117D, GLY119A, GLY119D, GLY124A, GLY124D, GLY152A, GLY152D, GLY153A, GLY153D, GLY159A, GLY159D, GLY170A, GLY170D, GLY324A, GLY324D, GLY401A, GLY401D, GLY404A, GLY404D, HIS123A, HIS123D, HIS125A, HIS125D, HIS162A, HIS162D, HIS167A, HIS167D, HIS321A, HIS321D, HIS322A, HIS322D, HIS376A, HIS376D, ILE122A, ILE122D, ILE126A, ILE126D, ILE136A, ILE136D, ILE147A, ILE147D, ILE250A, ILE250D, ILE325A, ILE325D, ILE382A, ILE382D, ILE399A, ILE399D, ILE426A, ILE426D, ILE430A, ILE430D, ILE448A, ILE448D, LEU144A, LEU144D, LEU150A, LEU150D, LEU169A, LEU169D, LEU244D, LEU323A, LEU323D, LEU369A, LEU369D, LEU422A, LEU422D, LEU428A, LEU428D, LEU431A, LEU431D, LEU445A, LEU445D, LYS148A, LYS148D, LYS406A, LYS406D, LYS421A, LYS421D, LYS446A, LYS446D, PHE141A, PHE141D, PHE157A, PHE157D, PHE165A, PHE165D, PHE213A, PHE213D, PHE427A, PHE427D, PRO118A, PRO118D, PRO121A, PRO121D, PRO139A, PRO139D, PRO158A, PRO158D, SER161A, SER161D, SER247A, SER247D, SER368A, SER368D, SER433A, SER433D, THR138A, THR138D, THR400A, THR400D, THR420A, THR420D, THR423A, THR423D, THR434A, THR434D, TYR146A, TYR146D, TYR154A, TYR154D, TYR155A, TYR155D, TYR374A, TYR374D, TYR419A, TYR419D, TYR432A, TYR432D, TYR450A, TYR450D, VAL133A, VAL133D, VAL156A, VAL156D
• B-C: ALA160B, ALA160C, ALA373B, ALA373C, ALA418C, ARG134B, ARG134C, ARG143B, ARG143C, ARG145B, ARG145C, ARG164B, ARG164C, ARG318B, ARG318C, ARG371B, ARG371C, ARG372B, ARG372C, ARG442B, ARG442C, ARG451B, ARG451C, ASN163B, ASN163C, ASN248B, ASN248C, ASN425B, ASN425C, ASN452B, ASN452C, ASP120B, ASP120C, ASP137B, ASP137C, ASP319B, ASP319C, ASP424B, ASP424C, CYS320B, CYS320C, GLN140B, GLN140C, GLN142B, GLN142C, GLN149C, GLN326B, GLN375B, GLN447B, GLN447C, GLU166B, GLU166C, GLU429B, GLU429C, GLU449B, GLU449C, GLY117C, GLY119B, GLY119C, GLY124B, GLY124C, GLY152B, GLY152C, GLY153B, GLY153C, GLY159B, GLY159C, GLY170B, GLY170C, GLY324B, GLY324C, GLY401B, GLY401C, GLY404B, GLY404C, HIS123B, HIS123C, HIS125B, HIS125C, HIS162B, HIS162C, HIS167B, HIS167C, HIS321B, HIS321C, HIS322B, HIS322C, HIS376B, HIS376C, ILE122B, ILE122C, ILE126B, ILE126C, ILE136B, ILE136C, ILE147B, ILE147C, ILE250B, ILE250C, ILE325B, ILE325C, ILE382B, ILE382C, ILE386B, ILE386C, ILE399B, ILE399C, ILE426B, ILE426C, ILE430B, ILE430C, ILE448B, ILE448C, LEU144B, LEU144C, LEU150B, LEU150C, LEU169B, LEU169C, LEU244C, LEU323B, LEU323C, LEU369B, LEU369C, LEU422B, LEU422C, LEU428B, LEU428C, LEU431B, LEU431C, LEU445B, LEU445C, LYS148B, LYS148C, LYS406B, LYS406C, LYS421B, LYS421C, LYS446B, LYS446C, PHE141B, PHE141C, PHE157B, PHE157C, PHE165B, PHE165C, PHE213B, PHE213C, PHE427B, PHE427C, PRO118B, PRO118C, PRO121B, PRO121C, PRO139B, PRO139C, PRO158B, PRO158C, SER161B, SER161C, SER247B, SER247C, SER368B, SER368C, SER433B, SER433C, THR138B, THR138C, THR400B, THR400C, THR420B, THR420C, THR423B, THR423C, THR434B, THR434C, TYR146B, TYR146C, TYR154B, TYR154C, TYR155B, TYR155C, TYR374B, TYR374C, TYR419B, TYR419C, TYR432B, TYR432C, TYR450B, TYR450C, VAL133B, VAL133C, VAL156B, VAL156C