2VDE

crystal structure of the open state of tolc outer membrane component of mutlidrug efflux pumps

• Total interactions analyzed: 3
• Total true interactions: 3
• Strongest Interaction:
  • Chains: A-C
  • Int. Res.: 228
  • Norm. En. per Res.: -3.5576
• 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	-124.371	-52.1394	-637.186	-813.6964	238	47	18	24388	4	25	34
A-C	-151.8298	-22.3261	-636.983	-811.1389	228	50	20	23702	2	28	35
B-C	-139.4893	-51.0389	-621.801	-812.3292	231	59	19	23610	3	26	34

Interface residues

• A-B: ALA172B, ALA179B, ALA181B, ALA188B, ALA193B, ALA200B, ALA274A, ALA291A, ALA291B, ALA292A, ALA292B, ALA327A, ALA32B, ALA334A, ALA341A, ALA358A, ALA365A, ALA369A, ALA373A, ALA379A, ALA382A, ALA397A, ALA404A, ALA411A, ALA43B, ALA44B, ALA48B, ALA49B, ALA56B, ALA68B, ALA79B, ALA86B, ALA89A, ALA89B, ARG180B, ARG194B, ARG205B, ARG33B, ARG343A, ARG350A, ARG40B, ARG46B, ARG57B, ARG77B, ASN178B, ASN189B, ASN195B, ASN196B, ASN199B, ASN210B, ASN300A, ASN304A, ASN321A, ASN330A, ASN354A, ASN355A, ASN357A, ASN364A, ASN36B, ASN403A, ASN414A, ASN418A, ASN448B, ASN54B, ASN74B, ASN80B, ASN83B, ASN85B, ASP175B, ASP184B, ASP198B, ASP271A, ASP280A, ASP298A, ASP378A, ASP393A, ASP396A, ASP396B, ASP45B, ASP47B, ASP69B, ASP78B, GLN109B, GLN177B, GLN182B, GLN203B, GLN206B, GLN295A, GLN303A, GLN316A, GLN31B, GLN323A, GLN326A, GLN328A, GLN337A, GLN347A, GLN368A, GLN374A, GLN63B, GLN92B, GLN95B, GLU190B, GLU202B, GLU239A, GLU336A, GLU339A, GLU381A, GLU389A, GLU38B, GLU407A, GLU51B, GLU55B, GLY209B, GLY277A, GLY290B, GLY293A, GLY302A, GLY307A, GLY317A, GLY318A, GLY333A, GLY383A, GLY65B, GLY67B, GLY75B, HIS342A, ILE173B, ILE207B, ILE278A, ILE314A, ILE356A, ILE360A, ILE363A, ILE53B, ILE82B, LEU127B, LEU187B, LEU191B, LEU197B, LEU204B, LEU235A, LEU270A, LEU272A, LEU308A, LEU312A, LEU338A, LEU34B, LEU377A, LEU39B, LEU401A, LEU60B, LEU61B, LEU64B, LEU66B, LEU91B, LEU93B, LYS305A, LYS325A, LYS367A, LYS41B, LYS52B, MET301A, MET319A, MET380A, PHE310A, PHE331A, PHE353A, PHE384A, PHE50B, PRO268A, PRO313A, PRO37B, PRO59B, PRO62B, SER275A, SER279A, SER299A, SER309A, SER311A, SER322A, SER335A, SER340A, SER344A, SER351A, SER352A, SER359A, SER35B, SER361A, SER362A, SER372A, SER375A, SER376A, SER42B, SER58B, SER73B, SER84B, SER88B, SER90A, SER90B, THR174B, THR185B, THR192B, THR208B, THR269A, THR273A, THR276A, THR294A, THR348A, THR388A, THR400A, THR71B, THR94B, TYR183B, TYR211B, TYR212B, TYR283B, TYR296B, TYR315A, TYR329A, TYR366A, TYR70B, TYR72B, TYR76B, VAL176B, VAL186B, VAL201B, VAL231A, VAL306A, VAL320A, VAL324A, VAL332A, VAL345A, VAL346A, VAL349A, VAL370A, VAL371A, VAL392B, VAL394A
• A-C: ALA172A, ALA179A, ALA181A, ALA188A, ALA193A, ALA200A, ALA274C, ALA327C, ALA32A, ALA334C, ALA341C, ALA358C, ALA365C, ALA369C, ALA373C, ALA379C, ALA382C, ALA397C, ALA404C, ALA411C, ALA43A, ALA44A, ALA48A, ALA49A, ALA56A, ALA68A, ALA79A, ALA86A, ALA89A, ARG180A, ARG194A, ARG205A, ARG343C, ARG350C, ARG40A, ARG46A, ARG57A, ARG77A, ASN178A, ASN189A, ASN195A, ASN196A, ASN199A, ASN210A, ASN300C, ASN304C, ASN321C, ASN330C, ASN354C, ASN355C, ASN357C, ASN364C, ASN36A, ASN403C, ASN418C, ASN54A, ASN74A, ASN80A, ASN83A, ASN85A, ASP175A, ASP184A, ASP198A, ASP271C, ASP280C, ASP297C, ASP298C, ASP378C, ASP393C, ASP396A, ASP396C, ASP45A, ASP47A, ASP69A, ASP78A, GLN109A, GLN177A, GLN182A, GLN203A, GLN206A, GLN303C, GLN316C, GLN31A, GLN323C, GLN326C, GLN328C, GLN337C, GLN347C, GLN368C, GLN374C, GLN63A, GLN92A, GLN95A, GLU190A, GLU202A, GLU336C, GLU339C, GLU381C, GLU389C, GLU38A, GLU407C, GLU51A, GLU55A, GLY209A, GLY277C, GLY302C, GLY307C, GLY317C, GLY318C, GLY333C, GLY383C, GLY65A, GLY67A, GLY75A, HIS342C, ILE173A, ILE207A, ILE278C, ILE314C, ILE356C, ILE360C, ILE363C, ILE53A, ILE82A, LEU127A, LEU187A, LEU191A, LEU197A, LEU204A, LEU235C, LEU270C, LEU272C, LEU308C, LEU312C, LEU338C, LEU34A, LEU377C, LEU39A, LEU401C, LEU60A, LEU61A, LEU64A, LEU66A, LEU91A, LEU91C, LEU93A, LYS287A, LYS305C, LYS325C, LYS367C, LYS41A, LYS52A, MET301C, MET319C, MET380C, PHE310C, PHE331C, PHE353C, PHE384C, PHE50A, PRO268C, PRO313C, PRO37A, PRO59A, PRO62A, SER275C, SER279C, SER299C, SER309C, SER311C, SER322C, SER335C, SER340C, SER344C, SER351C, SER352C, SER359C, SER35A, SER361C, SER362C, SER372C, SER375C, SER376C, SER42A, SER58A, SER73A, SER84A, SER88A, SER90A, SER90C, THR174A, THR185A, THR192A, THR208A, THR269C, THR273C, THR276C, THR348C, THR388C, THR390A, THR400C, THR71A, THR87A, THR94A, TYR183A, TYR211A, TYR315C, TYR329C, TYR366C, TYR70A, TYR72A, TYR76A, VAL171A, VAL176A, VAL186A, VAL201A, VAL231C, VAL306C, VAL320C, VAL324C, VAL332C, VAL345C, VAL346C, VAL349C, VAL370C, VAL371C, VAL392A, VAL394C
• B-C: ALA172C, ALA179C, ALA181C, ALA188C, ALA193C, ALA200C, ALA274B, ALA327B, ALA32C, ALA334B, ALA341B, ALA358B, ALA365B, ALA369B, ALA373B, ALA379B, ALA382B, ALA397B, ALA404B, ALA411B, ALA43C, ALA44C, ALA48C, ALA49C, ALA56C, ALA68C, ALA79C, ALA86C, ALA89C, ARG180C, ARG194C, ARG205C, ARG343B, ARG350B, ARG40C, ARG46C, ARG57C, ARG77C, ASN178C, ASN189C, ASN195C, ASN196C, ASN199C, ASN210C, ASN232B, ASN300B, ASN304B, ASN321B, ASN330B, ASN354B, ASN355B, ASN357B, ASN364B, ASN36C, ASN403B, ASN418B, ASN54C, ASN74C, ASN80C, ASN83C, ASN85C, ASP175C, ASP184C, ASP198C, ASP271B, ASP280B, ASP297B, ASP298B, ASP378B, ASP393B, ASP393C, ASP396B, ASP45C, ASP47C, ASP69C, ASP78C, GLN109C, GLN177C, GLN182C, GLN203C, GLN206C, GLN303B, GLN316B, GLN31C, GLN323B, GLN326B, GLN328B, GLN337B, GLN347B, GLN368B, GLN374B, GLN63C, GLN92C, GLN95C, GLU190C, GLU202C, GLU336B, GLU339B, GLU381B, GLU389B, GLU38C, GLU407B, GLU51C, GLU55C, GLY209C, GLY277B, GLY302B, GLY307B, GLY317B, GLY318B, GLY333B, GLY383B, GLY65C, GLY67C, GLY75C, GLY81C, HIS342B, ILE173C, ILE207C, ILE278B, ILE314B, ILE356B, ILE360B, ILE363B, ILE53C, ILE82C, LEU127C, LEU187C, LEU191C, LEU197C, LEU204C, LEU235B, LEU270B, LEU272B, LEU308B, LEU312B, LEU338B, LEU34C, LEU377B, LEU39C, LEU401B, LEU60C, LEU61C, LEU64C, LEU66C, LEU91C, LEU93C, LYS152C, LYS305B, LYS325B, LYS367B, LYS41C, LYS52C, MET301B, MET319B, MET380B, PHE310B, PHE331B, PHE353B, PHE384B, PHE50C, PRO268B, PRO313B, PRO37C, PRO449C, PRO59C, PRO62C, SER275B, SER279B, SER299B, SER309B, SER311B, SER322B, SER335B, SER340B, SER344B, SER351B, SER352B, SER359B, SER35C, SER361B, SER362B, SER372B, SER375B, SER376B, SER42C, SER58C, SER73C, SER84C, SER88C, SER90C, THR174C, THR185C, THR192C, THR208C, THR269B, THR273B, THR276B, THR281B, THR348B, THR388B, THR390B, THR390C, THR400B, THR71C, THR87C, THR94C, TYR183C, TYR211C, TYR315B, TYR329B, TYR366B, TYR70C, TYR72C, TYR76C, VAL176C, VAL186C, VAL201C, VAL231B, VAL306B, VAL320B, VAL324B, VAL332B, VAL345B, VAL346B, VAL349B, VAL370B, VAL371B, VAL386B, VAL392C, VAL394B