2A2A

high-resolution crystallographic analysis of the autoinhibited conformation of a human death-associated protein kinase

• Total interactions analyzed: 6
• Total true interactions: 3
• Strongest Interaction:
  • Chains: C-D
  • Int. Res.: 145
  • Norm. En. per Res.: -2.9265
• Hub Node: A(1)

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	-42.2436	-64.1921	-300.114	-406.5497	140	16	8	12775	6	50	66
B-C	0.0	9.2616	-142.437	-133.1754	83	4	2	6455	2	52	35
C-D	-34.3979	-78.4958	-311.454	-424.3477	145	7	9	13338	9	51	69

Interface residues

• A-B: ALA214A, ALA214B, ALA227A, ALA227B, ALA51A, ALA51B, ARG302A, ARG302B, ARG303A, ARG303B, ARG304A, ARG304B, ARG47A, ARG47B, ARG50A, ARG50B, ARG53A, ARG53B, ARG54A, ARG54B, ARG58A, ARG58B, ARG63A, ARG63B, ASN144A, ASN176A, ASN176B, ASN190A, ASN190B, ASN228A, ASN228B, ASP220A, ASP220B, GLN223A, GLN223B, GLN23A, GLN299A, GLN299B, GLN48A, GLN48B, GLU100A, GLU100B, GLU143A, GLU143B, GLU173A, GLU173B, GLU182A, GLU182B, GLU224A, GLU224B, GLU59A, GLU59B, GLU60A, GLU60B, GLY179A, GLY179B, GLY20A, GLY20B, GLY213B, GLY219A, GLY219B, GLY22A, GLY22B, HIS166A, HIS166B, ILE177A, ILE177B, ILE188A, ILE188B, ILE209A, ILE209B, ILE229A, ILE229B, ILE61A, ILE61B, LEU164A, LEU164B, LEU194A, LEU194B, LEU218A, LEU218B, LEU226A, LEU226B, LYS141A, LYS141B, LYS175A, LYS175B, LYS222A, LYS222B, LYS298B, PHE174A, PHE174B, PHE178A, PHE178B, PHE183A, PHE183B, PHE217A, PHE217B, PHE240A, PHE24A, PRO142A, PRO181A, PRO181B, PRO186A, PRO186B, PRO216A, SER215A, SER215B, SER21A, SER21B, SER231A, SER231B, SER49A, SER49B, SER52A, SER52B, SER57A, SER57B, THR180A, THR180B, THR221A, THR221B, THR225A, THR225B, THR230A, THR230B, TYR191A, TYR191B, TYR300A, TYR300B, VAL172A, VAL172B, VAL184A, VAL184B, VAL189A, VAL189B, VAL301A, VAL301B, VAL56A, VAL56B
• B-C: ALA283B, ARG286B, ARG286C, ARG287B, ARG297B, ASN128C, ASN151C, ASN280B, ASN292B, ASN295B, ASN75C, ASP125C, ASP149C, ASP237B, ASP279B, ASP81C, GLN122C, GLN281B, GLN282B, GLU109B, GLU113B, GLU114B, GLU115B, GLU238B, GLU239B, GLU246B, GLU288B, GLU294B, GLU32C, GLU94C, GLY126C, HIS156C, HIS243B, HIS73C, HIS74C, HIS80C, ILE152C, ILE154C, ILE157C, ILE92C, LEU111B, LEU130C, LEU148C, LEU247B, LEU270C, LEU293B, LEU37C, LEU72C, LEU79C, LEU93C, LYS108B, LYS121C, LYS133C, LYS158C, LYS298B, LYS33C, LYS5C, MET284B, PHE12C, PHE240B, PHE241B, PRO153C, PRO155C, SER110B, SER112B, SER242B, SER245B, SER289B, SER34C, THR132C, THR244B, THR35C, THR78C, TYR129C, TYR13C, TYR39C, TYR83C, VAL285B, VAL290B, VAL291B, VAL71C, VAL76C, VAL82C
• C-D: ALA214C, ALA214D, ALA227C, ALA227D, ALA51C, ALA51D, ARG302C, ARG302D, ARG303C, ARG303D, ARG304C, ARG304D, ARG47C, ARG47D, ARG50C, ARG50D, ARG53C, ARG53D, ARG54C, ARG54D, ARG58C, ARG58D, ARG63C, ARG63D, ASN144C, ASN144D, ASN176C, ASN176D, ASN190C, ASN190D, ASN228C, ASN228D, ASP103C, ASP161D, ASP220C, ASP220D, GLN223C, GLN223D, GLN23C, GLN23D, GLN299C, GLN299D, GLN48C, GLN48D, GLU100C, GLU100D, GLU143C, GLU143D, GLU173C, GLU173D, GLU182C, GLU182D, GLU18D, GLU224C, GLU224D, GLU59C, GLU59D, GLU60C, GLU60D, GLY179C, GLY179D, GLY20D, GLY213C, GLY213D, GLY219C, GLY219D, GLY22D, HIS166C, HIS166D, ILE145C, ILE177C, ILE177D, ILE188C, ILE188D, ILE209C, ILE209D, ILE229C, ILE229D, ILE61C, ILE61D, LEU164C, LEU164D, LEU194C, LEU194D, LEU19D, LEU218C, LEU218D, LEU226C, LEU226D, LYS141C, LYS141D, LYS175C, LYS175D, LYS222C, LYS222D, LYS298C, LYS298D, PHE102C, PHE174C, PHE174D, PHE178C, PHE178D, PHE183C, PHE183D, PHE217C, PHE240D, PRO142C, PRO181C, PRO181D, PRO186C, PRO186D, SER215C, SER215D, SER21C, SER21D, SER231C, SER231D, SER49C, SER49D, SER52C, SER52D, SER57C, SER57D, THR180C, THR180D, THR221C, THR221D, THR225C, THR225D, THR230C, THR230D, TYR191C, TYR191D, TYR300C, TYR300D, VAL172C, VAL172D, VAL184C, VAL184D, VAL189C, VAL189D, VAL301C, VAL301D, VAL56C, VAL56D