1NBY

crystal structure of hyhel-63 complexed with hel mutant k96a

• Total interactions analyzed: 3
• Total true interactions: 3
• Strongest Interaction:
  • Chains: B-C
  • Int. Res.: 55
  • Norm. En. per Res.: -4.2053
• 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	-42.9141	-40.9653	-463.164	-547.0434	183	15	10	17657	2	17	12
A-C	-22.4777	0.0	-87.2118	-109.6895	49	5	0	3788	0	2	5
B-C	-41.7686	-21.1462	-168.377	-231.2918	55	8	1	5755	2	5	2

Interface residues

• A-B: ALA130A, ALA396B, ALA405B, ALA425B, ALA468B, ARG211A, ARG338B, ARG45A, ASN137A, ASN138A, ASN161A, ASN210A, ASN32A, ASN343B, ASP165A, ASP167A, ASP170A, ASP1A, ASP1A5, ASP401B, ASP430B, CB8.88969-37.69401, CYS134A, CYS214A, CYS395B, CYS428B, CYS440B, CYS88A, GLN124A, GLN38A, GLN471B, GLN6A, GLN89A, GLN90A, GLU123A, GLU213A, GLU306B, GLU346B, GLU42A, GLY100A, GLY101A, GLY128A, GLY129A, GLY158A, GLY342B, GLY349B, GLY399B, GLY400B, GLY404B, GLY406B, GLY429B, GLY433B, GLY439B, GLY462B, GLY99A, HIS34A, HIS360B, HIS41A, HIS464B, ILE117A, ILE337B, ILE367B, ILE369B, ILE510B, ILE55A, ILE58A, LEU125A, LEU136A, LEU160A, LEU179A, LEU181A, LEU304B, LEU345B, LEU363B, LEU424B, LEU438B, LEU441B, LEU46A, LEU470B, LEU474B, LEU477B, LEU47A, LYS103A, LYS169A, LYS207A, LYS339B, LYS344B, LYS364B, LYS39A, LYS443B, LYS49A, LYS508B, LYS509B, MET175A, MET348B, MET85A, PHE118A, PHE135A, PHE139A, PHE209A, PHE466B, PHE87A, PHE98A, PRO119A, PRO120A, PRO361B, PRO423B, PRO426B, PRO44A, PRO467B, PRO95A, SER116A, SER121A, SER122A, SER127A, SER131A, SER162A, SER174A, SER176A, SER177A, SER208A, SER335B, SER362B, SER397B, SER40A, SER420B, SER435B, SER43A, SER460B, SER461B, SER472B, SER478B, SER479B, SER480B, SER91A, THR102A, THR114A, THR126A, THR164A, THR172A, THR178A, THR180A, THR357B, THR392B, THR432B, THR437B, THR465B, THR476B, THR482B, THR97A, TRP163A, TRP336B, TRP398B, TRP403B, TRP454B, TRP94A, TYR173A, TYR186A, TYR192A, TYR333B, TYR347B, TYR350B, TYR358B, TYR359B, TYR36A, TYR394B, TYR422B, TYR475B, TYR50A, TYR86A, TYR96A, VAL115A, VAL132A, VAL133A, VAL159A, VAL402B, VAL421B, VAL427B, VAL436B, VAL442B, VAL463B, VAL469B, VAL481B
• A-C: ALA51A, ALA690C, ALA695C, ALA696C, ARG614C, ARG621C, ASN31A, ASN32A, ASN619C, ASN677C, ASN693C, ASN92A, ASP618C, CYS676C, CYS694C, GLN27A, GLN53A, GLN90A, GLY616C, GLY622C, GLY68A, HIS34A, HIS615C, ILE29A, ILE2A, ILE678C, ILE698C, LEU33A, LEU617C, LYS49A, LYS613C, LYS697C, MET612C, PRO95A, SER28A, SER30A, SER54A, SER67A, SER700C, SER91A, SER93A, THR689C, TRP94A, TYR50A, TYR620C, TYR623C, TYR96A, VAL692C, VAL699C
• B-C: ALA695C, ALA696C, ALA707C, ARG371B, ARG621C, ARG661C, ARG673C, ASN674C, ASN677C, ASN693C, ASN703C, ASN706C, ASP327B, ASP332B, ASP401B, ASP701C, CYS676C, CYS694C, GLU301B, GLY355B, GLY399B, GLY400B, GLY702C, GLY704C, ILE351B, ILE698C, LEU675C, LYS697C, SER328B, SER331B, SER352B, SER354B, SER356B, SER397B, SER672C, SER700C, THR330B, THR357B, THR373B, TRP334B, TRP398B, TRP662C, TRP663C, TYR333B, TYR350B, TYR353B, TYR358B, TYR359B, TYR620C, TYR623C, VAL302B, VAL329B, VAL402B, VAL692C, VAL699C