2E21

crystal structure of tils in a complex with amppnp from aquifex aeolicus.

• Total interactions analyzed: 6
• Total true interactions: 5
• Strongest Interaction:
  • Chains: A-D
  • Int. Res.: 69
  • Norm. En. per Res.: -3.9087
• 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	-25.1907	-86.2733	-527.856	-639.3199	168	38	14	23722	9	84	100
A-D	-31.0994	-91.531	-147.069	-269.6993	69	24	2	6373	10	54	61
B-C	-18.5341	-54.3914	-132.344	-205.2695	64	14	2	5575	10	51	65
B-D	0.0	-33.3834	-47.9	-81.2834	51	3	0	2083	1	31	30
C-D	-37.8214	-114.8913	-499.618	-652.3307	167	27	14	23396	10	82	94

Interface residues

• A-B: ALA232A, ALA232B, ALA241A, ALA241B, ALA265A, ALA265B, ARG148A, ARG148B, ARG201A, ARG201B, ARG203A, ARG203B, ARG205A, ARG205B, ARG207A, ARG207B, ARG214A, ARG214B, ARG231A, ARG231B, ARG234A, ARG234B, ARG268A, ARG268B, ARG269A, ARG269B, ARG272A, ARG272B, ARG287A, ARG287B, ASN202A, ASN202B, ASN216A, ASN216B, ASN218A, ASN218B, ASP153A, ASP153B, ASP17A, ASP221A, ASP221B, ASP279A, ASP279B, GLN267A, GLN267B, GLU140A, GLU140B, GLU211A, GLU211B, GLU217A, GLU217B, GLU220A, GLU220B, GLU233A, GLU233B, GLU235A, GLU235B, GLU238A, GLU238B, GLU239A, GLU239B, GLU240A, GLU240B, GLU281A, GLU281B, GLU284A, GLU284B, GLY149A, GLY149B, GLY151A, GLY151B, GLY154A, GLY154B, HIS206A, HIS206B, ILE156A, ILE156B, ILE199A, ILE199B, ILE204A, ILE204B, ILE209A, ILE209B, ILE215A, ILE215B, LEU138A, LEU138B, LEU139A, LEU139B, LEU143A, LEU143B, LEU144A, LEU144B, LEU152A, LEU152B, LEU155A, LEU155B, LEU212A, LEU212B, LEU219A, LEU219B, LEU224A, LEU224B, LEU230A, LEU230B, LEU237A, LEU237B, LEU244A, LEU244B, LEU264A, LEU264B, LEU266A, LEU266B, LYS213A, LYS213B, LYS225A, LYS225B, LYS228A, LYS228B, LYS243A, LYS243B, LYS262A, LYS262B, LYS278A, LYS278B, LYS282A, MET226A, MET226B, PHE145A, PHE145B, PHE146A, PHE146B, PHE223A, PHE223B, PHE236A, PHE236B, PRO200A, PRO200B, PRO210A, PRO210B, PRO263A, PRO263B, SER142A, SER142B, SER198A, SER198B, THR141A, THR141B, THR147A, THR147B, THR150A, THR150B, THR222A, THR222B, TYR171A, TYR171B, TYR280A, TYR280B, VAL197A, VAL197B, VAL208A, VAL208B, VAL227A, VAL227B, VAL229A, VAL229B, VAL283A, VAL283B
• A-D: ALA181D, ALA69A, ALA69D, ARG187D, ARG203A, ARG205D, ARG207A, ARG214A, ARG66A, ARG71D, ARG83D, ARG95A, ASN194A, ASN194D, ASN202A, ASN84D, ASP191A, ASP191D, ASP72D, CYS76D, GLU178D, GLU190A, GLU190D, GLU192A, GLU192D, GLU196A, GLU196D, GLU211A, GLU67A, GLU70D, GLU73D, GLU74D, GLU78D, GLU82D, GLY185D, GLY33D, GLY34D, HIS206A, HIS63A, ILE199A, LEU105A, LEU186D, LEU65A, LYS182D, LYS184D, LYS77D, LYS81D, LYS99A, PHE183D, PHE75D, PHE79D, PRO200A, PRO210A, SER104A, SER198A, SER68A, SER68D, THR193A, TRP188A, TRP188D, TYR195A, TYR195D, VAL189A, VAL189D, VAL197A, VAL208A, VAL35A, VAL35D, VAL38D
• B-C: ALA181B, ALA69B, ALA69C, ALA80B, ARG187B, ARG203C, ARG207C, ARG214C, ARG66C, ARG71B, ARG71C, ARG83B, ARG95C, ASN194B, ASN194C, ASN202C, ASN84B, ASP191B, ASP191C, ASP72B, ASP72C, CYS76B, GLU178B, GLU190B, GLU190C, GLU192B, GLU192C, GLU196C, GLU211C, GLU67C, GLU70B, GLU73B, GLU74B, GLU78B, GLU82B, GLY185B, GLY33B, GLY34B, HIS206C, HIS63C, ILE199C, LEU105C, LEU186B, LEU65C, LYS182B, LYS184B, LYS77B, LYS81B, PHE183B, PHE75B, PHE79B, PRO200C, PRO210C, SER198C, SER68B, SER68C, THR193C, TRP188B, TYR195B, TYR195C, VAL189B, VAL197C, VAL35B, VAL38B
• B-D: ALA181B, ARG174B, ARG174D, ARG203B, ARG203D, ARG205B, ARG205D, ARG207B, ARG207D, ARG214B, ARG214D, ASN194B, ASN194D, ASN202B, ASN216B, ASP191D, GLU178B, GLU178D, GLU179B, GLU196B, GLU196D, GLU211B, GLU211D, GLU217B, GLU217D, HIS206B, HIS206D, ILE177B, ILE215B, ILE215D, LYS182B, LYS182D, LYS213B, LYS213D, PHE183B, PRO210B, PRO210D, SER175B, SER175D, SER198D, THR193D, TRP188B, TRP188D, TYR180B, TYR195B, TYR195D, VAL197B, VAL197D, VAL208B, VAL35B, VAL35D
• C-D: ALA232C, ALA232D, ALA241C, ALA241D, ALA265C, ALA265D, ARG148C, ARG148D, ARG201C, ARG201D, ARG203C, ARG203D, ARG205C, ARG205D, ARG207C, ARG207D, ARG214C, ARG214D, ARG231C, ARG231D, ARG234C, ARG234D, ARG268C, ARG268D, ARG269C, ARG269D, ARG272C, ARG272D, ARG287C, ARG287D, ASN202C, ASN202D, ASN216C, ASN216D, ASN218C, ASN218D, ASP153C, ASP153D, ASP221C, ASP221D, ASP279C, ASP279D, GLN267C, GLN267D, GLU140C, GLU140D, GLU211C, GLU211D, GLU217C, GLU217D, GLU220C, GLU220D, GLU233C, GLU233D, GLU235C, GLU235D, GLU238C, GLU238D, GLU239C, GLU239D, GLU240C, GLU240D, GLU281C, GLU281D, GLU284C, GLU284D, GLY149C, GLY149D, GLY151C, GLY151D, GLY154C, GLY154D, HIS206C, HIS206D, ILE156C, ILE156D, ILE199C, ILE199D, ILE204C, ILE204D, ILE209C, ILE209D, ILE215C, ILE215D, LEU138C, LEU138D, LEU139C, LEU139D, LEU143C, LEU143D, LEU144C, LEU144D, LEU152C, LEU152D, LEU155C, LEU155D, LEU212C, LEU212D, LEU219C, LEU219D, LEU224C, LEU224D, LEU230C, LEU230D, LEU237C, LEU237D, LEU244C, LEU244D, LEU264C, LEU264D, LEU266C, LEU266D, LYS213C, LYS213D, LYS225C, LYS225D, LYS228C, LYS228D, LYS243C, LYS243D, LYS262C, LYS262D, LYS278C, LYS278D, LYS282C, LYS282D, MET226C, MET226D, PHE145C, PHE145D, PHE146C, PHE146D, PHE223C, PHE223D, PHE236C, PHE236D, PRO200C, PRO200D, PRO210C, PRO210D, PRO263C, PRO263D, SER142C, SER142D, SER198C, SER198D, THR141C, THR141D, THR147C, THR147D, THR150C, THR150D, THR222C, THR222D, TYR171D, TYR280C, TYR280D, VAL197C, VAL197D, VAL208C, VAL208D, VAL227C, VAL227D, VAL229C, VAL229D, VAL283C, VAL283D