3F55

crystal structure of the native endo beta-1,3-glucanase (hev b 2), a major allergen from hevea brasiliensis (space group p41)

• Total interactions analyzed: 6
• Total true interactions: 4
• Strongest Interaction:
  • Chains: B-C
  • Int. Res.: 50
  • Norm. En. per Res.: -2.7933
• 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	-52.7154	-76.9567	-270.438	-400.1101	148	22	4	12687	7	25	23
A-D	-13.6392	-12.0138	-112.392	-138.045	51	4	0	4444	2	6	14
B-C	-17.6017	-13.4532	-108.61	-139.665	50	4	0	4275	2	5	14
C-D	-35.5355	-73.8186	-281.787	-391.1411	144	22	4	12725	7	25	22

Interface residues

• A-B: ALA103A, ALA103B, ALA106A, ALA106B, ALA148B, ALA150A, ALA150B, ALA184A, ALA184B, ALA248A, ALA248B, ALA250A, ALA250B, ALA251A, ALA251B, ALA285B, ARG100A, ARG100B, ARG152A, ARG152B, ARG156A, ARG156B, ARG164A, ARG188A, ARG188B, ASN142A, ASN142B, ASN160A, ASN176A, ASN176B, ASN186A, ASN186B, ASN93A, ASN93B, ASN99A, ASN99B, ASP136A, ASP136B, ASP153A, ASP153B, ASP154A, ASP154B, ASP189A, ASP189B, GLN107A, GLN107B, GLN293A, GLN293B, GLN61A, GLN61B, GLU240A, GLU240B, GLU289A, GLU289B, GLU295A, GLU295B, GLU297A, GLU297B, GLU94A, GLU94B, GLY101A, GLY101B, GLY141A, GLY141B, GLY149B, GLY185A, GLY185B, GLY242A, GLY242B, GLY247A, GLY247B, ILE177A, ILE177B, ILE190A, ILE190B, ILE95B, LEU105A, LEU105B, LEU110A, LEU137A, LEU137B, LEU139A, LEU139B, LEU159A, LEU159B, LYS292A, LYS292B, PHE108A, PHE108B, PHE151A, PHE151B, PHE181A, PHE181B, PHE249A, PHE249B, PHE284A, PHE284B, PHE300A, PHE300B, PRO145B, PRO161A, PRO161B, PRO187A, PRO187B, PRO244A, PRO244B, PRO294A, PRO294B, PRO97A, PRO97B, SER143A, SER143B, SER157A, SER157B, SER241A, SER241B, SER58A, SER58B, SER96A, SER96B, THR102A, THR102B, THR138A, THR138B, THR182A, THR182B, TRP104A, TRP104B, TYR144A, TYR144B, TYR158A, TYR158B, TYR178A, TYR178B, TYR180A, TYR180B, TYR183A, TYR183B, TYR34A, TYR34B, VAL140A, VAL140B, VAL155A, VAL155B, VAL296A, VAL296B, VAL98A, VAL98B
• A-D: ALA123A, ALA246D, ALA251D, ALA69A, ARG257D, ARG45A, ARG78A, ASN12D, ASN255D, ASN290D, ASN306D, ASN312D, ASN65A, ASN68A, ASN76A, ASP254D, ASP288D, GLN309D, GLN38A, GLN74A, GLU42A, GLY247D, GLY256D, GLY79A, HIS299D, LEU125A, LEU41A, LYS307D, LYS310D, LYS70A, LYS75A, PHE253D, PHE304D, PHE80A, PHE86A, PRO14D, PRO305D, PRO36A, PRO66A, SER122A, SER245D, SER67A, SER71A, SER82A, THR252D, TRP308D, TRP72A, TRP81A, TYR311D, VAL73A, VAL77A
• B-C: ALA123C, ALA246B, ALA251B, ALA69C, ARG257B, ARG45C, ARG78C, ASN12B, ASN255B, ASN306B, ASN312B, ASN65C, ASN68C, ASN76C, ASP254B, ASP288B, GLN309B, GLN38C, GLN74C, GLU18B, GLU42C, GLY247B, GLY256B, GLY79C, HIS299B, LEU125C, LEU41C, LYS307B, LYS310B, LYS70C, LYS75C, PHE253B, PHE303B, PHE304B, PHE80C, PRO14B, PRO305B, PRO36C, PRO66C, SER245B, SER67C, SER71C, SER82C, THR252B, TRP308B, TRP72C, TRP81C, TYR311B, VAL73C, VAL77C
• C-D: ALA103C, ALA103D, ALA106C, ALA106D, ALA148D, ALA150C, ALA150D, ALA184C, ALA184D, ALA248C, ALA248D, ALA250C, ALA250D, ALA251C, ALA251D, ARG100C, ARG100D, ARG152C, ARG152D, ARG156C, ARG156D, ARG188C, ARG188D, ARG32D, ASN142C, ASN142D, ASN160C, ASN176C, ASN176D, ASN186C, ASN186D, ASN93C, ASN93D, ASN99C, ASN99D, ASP136C, ASP136D, ASP153C, ASP153D, ASP154C, ASP154D, ASP189C, ASP189D, GLN107C, GLN107D, GLN293C, GLN293D, GLN61C, GLN61D, GLU240C, GLU240D, GLU289C, GLU295C, GLU295D, GLU297C, GLU297D, GLU94C, GLU94D, GLY101C, GLY101D, GLY141C, GLY141D, GLY149D, GLY185C, GLY185D, GLY242C, GLY242D, GLY247C, GLY247D, ILE177C, ILE177D, ILE190C, ILE190D, LEU105C, LEU105D, LEU137C, LEU137D, LEU139C, LEU139D, LEU159C, LEU159D, LYS292C, LYS292D, PHE108C, PHE108D, PHE151C, PHE151D, PHE181C, PHE181D, PHE249C, PHE249D, PHE284C, PHE284D, PHE300C, PHE300D, PRO145D, PRO161C, PRO161D, PRO187C, PRO187D, PRO244C, PRO244D, PRO294C, PRO294D, PRO97C, PRO97D, SER143C, SER143D, SER157C, SER157D, SER241C, SER241D, SER58C, SER58D, SER96C, SER96D, THR102C, THR102D, THR138C, THR138D, THR182C, THR182D, TRP104C, TRP104D, TYR144C, TYR144D, TYR158C, TYR158D, TYR178C, TYR178D, TYR180C, TYR180D, TYR183C, TYR183D, TYR34C, TYR34D, VAL140C, VAL140D, VAL155C, VAL155D, VAL296C, VAL296D, VAL98C, VAL98D