3QW2

l-myo-inositol 1-phosphate synthase from archaeoglobus mutant n255a

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: A-D
  • Int. Res.: 36
  • Norm. En. per Res.: -4.58
• Hub Node: A(3)

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	-124.6543	-16.489	-805.654	-946.7974	235	33	25	31806	0	46	48
A-C	-28.1438	15.8049	-312.09	-324.4288	108	5	9	11848	4	12	14
A-D	-20.3475	-105.2501	-39.282	-164.8797	36	2	0	1876	7	18	25
B-C	-13.0391	-93.4335	-32.4097	-138.8823	35	0	0	1656	4	14	23
B-D	-40.5803	5.573	-334.344	-369.3513	107	4	9	12126	4	14	14
C-D	-134.9722	-17.5717	-786.978	-939.5219	229	36	26	31405	1	45	48

Interface residues

• A-B: ALA16A, ALA16B, ALA20A, ALA20B, ALA22A, ALA22B, ALA238A, ALA238B, ALA242A, ALA242B, ALA28A, ALA28B, ALA308A, ALA308B, ALA330A, ALA330B, ALA333A, ALA333B, ALA336A, ALA336B, ALA337A, ALA337B, ALA363A, ALA363B, ARG21A, ARG21B, ARG244A, ARG244B, ARG76A, ARG76B, ASN245A, ASN245B, ASN305A, ASN305B, ASN376A, ASN376B, ASN75A, ASN75B, ASP310A, ASP310B, ASP329A, ASP329B, ASP332A, ASP332B, ASP342A, ASP342B, ASP79A, ASP79B, GLN380A, GLN380B, GLU230A, GLU230B, GLU247A, GLU247B, GLU36A, GLU36B, GLU379A, GLU379B, GLY19A, GLY19B, GLY226A, GLY226B, GLY229A, GLY229B, GLY287A, GLY287B, GLY316A, GLY316B, GLY319A, GLY319B, GLY32A, GLY32B, HIS313A, HIS313B, HIS378A, HIS378B, HIS39A, HIS77A, HIS77B, ILE23A, ILE23B, ILE27A, ILE27B, ILE31A, ILE31B, ILE327A, ILE327B, ILE331A, ILE331B, ILE334A, ILE334B, ILE340A, ILE340B, ILE343A, ILE343B, ILE82A, ILE82B, LEU232A, LEU232B, LEU237A, LEU237B, LEU286A, LEU318A, LEU318B, LEU321A, LEU321B, LEU339A, LEU339B, LEU33A, LEU33B, LEU341A, LEU341B, LEU37A, LEU37B, LEU384A, LEU384B, LEU83A, LEU83B, LYS227A, LYS227B, LYS234A, LYS234B, LYS30A, LYS30B, LYS315A, LYS315B, LYS320A, LYS320B, LYS323A, LYS323B, LYS367A, LYS367B, LYS385A, LYS385B, MET17A, MET17B, MET240A, MET240B, MET246A, MET246B, MET322A, MET322B, MET362A, PHE199A, PHE199B, PHE241A, PHE241B, PHE309A, PHE309B, PHE311A, PHE311B, PHE314A, PHE314B, PHE317A, PHE317B, PHE324A, PHE324B, PHE326A, PHE326B, PHE364A, PHE364B, PHE365A, PHE365B, PHE366A, PHE366B, PHE381A, PHE381B, PHE40A, PHE40B, PHE49A, PHE49B, PHE51A, PHE51B, PHE53A, PHE53B, PHE78A, PHE78B, PRO239A, PRO239B, PRO29A, PRO29B, PRO338A, PRO338B, PRO38A, PRO38B, SER13A, SER35A, SER35B, THR14A, THR14B, THR15A, THR15B, THR228A, THR228B, THR231A, THR231B, THR235A, THR235B, THR236A, THR236B, THR307A, THR307B, THR377A, THR377B, TRP328A, TRP328B, TRP72A, TRP72B, TYR243A, TYR243B, TYR288A, TYR288B, TYR325A, TYR325B, VAL12A, VAL12B, VAL18A, VAL18B, VAL233A, VAL233B, VAL248A, VAL248B, VAL249A, VAL249B, VAL312A, VAL312B, VAL335A, VAL335B, VAL34A, VAL34B, VAL382A, VAL382B, VAL383A, VAL86A, VAL86B
• A-C: ALA255A, ALA255C, ALA267C, ALA308A, ALA308C, ALA330A, ALA330C, ARG268A, ARG268C, ARG76A, ARG76C, ASN305A, ASN305C, ASP310A, ASP310C, ASP329A, ASP329C, GLN297A, GLN297C, GLU295A, GLU295C, GLY250A, GLY250C, GLY258A, GLY258C, GLY262A, HIS313A, HIS313C, ILE256A, ILE256C, ILE293A, ILE293C, ILE296A, ILE296C, ILE327A, ILE327C, ILE331A, ILE331C, LEU257A, LEU257C, LEU302A, LEU302C, LEU321A, LEU321C, LEU74A, LEU74C, LYS263A, LYS263C, LYS271A, LYS271C, LYS306A, LYS306C, LYS315A, LYS315C, LYS320A, LYS320C, LYS323A, LYS323C, MET252A, MET252C, PHE299A, PHE299C, PHE309A, PHE309C, PHE311A, PHE311C, PHE314A, PHE314C, PHE324A, PHE324C, PHE326A, PHE326C, PRO290A, PRO290C, PRO300A, PRO300C, SER253A, SER253C, SER266A, SER266C, SER292A, SER292C, SER301A, SER301C, THR294A, THR294C, THR307A, THR307C, TRP251A, TRP251C, TRP328A, TRP328C, TYR254A, TYR254C, TYR291A, TYR291C, TYR298A, TYR298C, TYR325A, TYR325C, VAL248A, VAL248C, VAL249A, VAL249C, VAL303A, VAL303C, VAL312A, VAL312C
• A-D: ARG76A, ARG76D, ARG80A, ARG80D, ASP329A, ASP329D, ASP79A, ASP79D, GLU73A, GLU73D, GLU81A, GLU81D, GLU84A, GLU84D, ILE327A, ILE327D, ILE82A, ILE82D, LEU83A, LEU83D, LYS323A, LYS323D, MET322A, PHE309A, PHE309D, PHE311A, PHE311D, PHE324A, PHE326A, PHE326D, PHE78A, PHE78D, TRP72A, TRP72D, TYR325A, TYR325D
• B-C: ARG76B, ARG76C, ARG80B, ARG80C, ASP329B, ASP329C, ASP79B, ASP79C, GLU73C, GLU81B, GLU81C, GLU84B, GLU84C, ILE327B, ILE327C, ILE82B, ILE82C, LEU83C, LYS320B, LYS320C, LYS323B, LYS323C, MET322C, PHE309B, PHE309C, PHE311B, PHE324C, PHE326B, PHE326C, PHE78B, PHE78C, TRP72B, TRP72C, TYR325B, TYR325C
• B-D: ALA255B, ALA255D, ALA308B, ALA308D, ALA330B, ALA330D, ARG268B, ARG268D, ARG76B, ARG76D, ASN305B, ASN305D, ASN75B, ASN75D, ASP310B, ASP310D, ASP329B, ASP329D, GLN297B, GLN297D, GLU295B, GLU295D, GLY250B, GLY250D, GLY258D, HIS313B, HIS313D, ILE256B, ILE256D, ILE293B, ILE293D, ILE296B, ILE296D, ILE327B, ILE327D, ILE331B, ILE331D, LEU257B, LEU257D, LEU302B, LEU302D, LEU321B, LEU321D, LEU74B, LEU74D, LYS263D, LYS271B, LYS271D, LYS306B, LYS306D, LYS315B, LYS315D, LYS320B, LYS320D, LYS323B, LYS323D, MET252B, MET252D, MET322B, PHE299B, PHE299D, PHE309B, PHE309D, PHE311B, PHE311D, PHE314B, PHE314D, PHE324B, PHE324D, PHE326B, PHE326D, PRO290B, PRO290D, PRO300B, PRO300D, SER253B, SER253D, SER266B, SER266D, SER292B, SER292D, SER301B, SER301D, THR294B, THR294D, THR307B, THR307D, TRP251B, TRP251D, TRP328B, TRP328D, TYR254B, TYR254D, TYR291B, TYR291D, TYR298B, TYR298D, TYR325B, TYR325D, VAL248B, VAL248D, VAL249B, VAL249D, VAL303B, VAL303D, VAL312B, VAL312D
• C-D: ALA16C, ALA16D, ALA20C, ALA20D, ALA22C, ALA22D, ALA238C, ALA238D, ALA242C, ALA242D, ALA28C, ALA28D, ALA308C, ALA308D, ALA330C, ALA330D, ALA333C, ALA333D, ALA336C, ALA336D, ALA337C, ALA337D, ALA363C, ALA363D, ARG21C, ARG21D, ARG244C, ARG244D, ARG345C, ARG76C, ARG76D, ASN245C, ASN245D, ASN305C, ASN305D, ASN376C, ASN376D, ASN75C, ASN75D, ASP310C, ASP310D, ASP329C, ASP329D, ASP332C, ASP332D, ASP342C, ASP342D, ASP79C, ASP79D, GLN380C, GLN380D, GLU230C, GLU230D, GLU247C, GLU247D, GLU36C, GLU36D, GLU379C, GLU379D, GLY19C, GLY19D, GLY226C, GLY226D, GLY229C, GLY229D, GLY287C, GLY287D, GLY316C, GLY316D, GLY319C, GLY319D, GLY32C, GLY32D, HIS313C, HIS313D, HIS378C, HIS378D, HIS77C, HIS77D, ILE23C, ILE23D, ILE27C, ILE27D, ILE31C, ILE31D, ILE327C, ILE327D, ILE331C, ILE331D, ILE334C, ILE334D, ILE340C, ILE340D, ILE343C, ILE343D, ILE82C, ILE82D, LEU232C, LEU232D, LEU237C, LEU237D, LEU286C, LEU318C, LEU318D, LEU321C, LEU321D, LEU339C, LEU339D, LEU33C, LEU33D, LEU341C, LEU341D, LEU37C, LEU37D, LEU384C, LEU384D, LEU83D, LYS227C, LYS227D, LYS234C, LYS234D, LYS30C, LYS30D, LYS315C, LYS315D, LYS320C, LYS320D, LYS323C, LYS323D, LYS367C, LYS367D, LYS385C, LYS385D, MET17C, MET17D, MET240C, MET240D, MET246C, MET246D, MET322C, MET322D, PHE199C, PHE199D, PHE241C, PHE241D, PHE309D, PHE311C, PHE311D, PHE314C, PHE314D, PHE317C, PHE317D, PHE324C, PHE324D, PHE326C, PHE326D, PHE364C, PHE364D, PHE365C, PHE365D, PHE366C, PHE366D, PHE381C, PHE381D, PHE40C, PHE40D, PHE49C, PHE49D, PHE53C, PHE53D, PHE78C, PHE78D, PRO239C, PRO239D, PRO29C, PRO29D, PRO338C, PRO338D, PRO38C, PRO38D, SER35C, SER35D, THR14C, THR14D, THR15C, THR15D, THR228C, THR228D, THR231C, THR231D, THR235C, THR235D, THR236C, THR236D, THR307C, THR307D, THR377C, THR377D, TRP328C, TRP328D, TRP72C, TRP72D, TYR243C, TYR243D, TYR288C, TYR288D, TYR325C, TYR325D, VAL12C, VAL12D, VAL18C, VAL18D, VAL233C, VAL233D, VAL248C, VAL248D, VAL249C, VAL249D, VAL312C, VAL312D, VAL335C, VAL335D, VAL34C, VAL34D, VAL382C, VAL382D, VAL383D, VAL86C, VAL86D