3PXI

structure of meca108:clpc

• Total interactions analyzed: 15
• Total true interactions: 7
• Strongest Interaction:
  • Chains: A-b
  • Int. Res.: 48
  • Norm. En. per Res.: -1.1446
• 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-A	-63.8079	-11.1902	271.765	196.7669	104	99	1	10312	0	45	37
A-b	-6.8683	-4.0829	-43.9881	-54.9393	48	4	1	2480	0	18	18
A-B	-62.5049	-172.6185	72.1234	-163.0	190	80	3	14173	10	152	132
b-B	-68.9199	-11.4908	167.479	87.0683	127	159	6	16026	6	58	45
B-c	-44.3665	-13.1245	142.454	84.9631	50	49	0	4861	0	19	23
B-C	-179.7944	-41.9792	2917.07	2695.2963	250	460	7	24752	8	189	179
c-C	-29.6759	-27.3506	-69.4736	-126.5001	113	71	5	11537	1	56	43

Interface residues

• a-A: ALA120A, ALA121A, ALA186a, ALA208a, ALA217a, ALA429A, ALA430A, ALA439A, ALA440A, ALA84A, ARG122A, ARG132a, ARG424A, ARG443A, ARG450A, ARG83A, ASN126A, ASN146a, ASN177a, ASN27A, ASN28A, ASP135a, ASP138a, ASP428A, ASP444A, GLN432A, GLN434A, GLN447A, GLN72A, GLN76A, GLU115A, GLU117A, GLU137a, GLU176a, GLU184a, GLU188a, GLU210a, GLU32A, GLU435A, GLU437A, GLU446A, GLY116A, GLY118A, GLY134a, GLY30A, GLY71A, HIS207a, HIS215a, HIS26A, HIS33A, HIS79A, ILE140a, ILE181a, ILE203a, ILE204a, ILE212a, ILE29A, ILE68A, ILE78A, LEU112A, LEU142a, LEU145a, LEU154a, LEU182a, LEU183a, LEU202a, LEU442A, LEU67A, LYS144a, LYS201a, LYS213a, LYS214a, LYS427A, LYS438A, LYS85A, LYS86A, MET74A, PHE133a, PHE136a, PHE216a, PHE436A, PRO82A, SER141a, SER143a, SER156a, SER180a, SER205a, SER218a, SER433A, SER441A, SER75A, THR187a, THR211a, THR31A, THR77A, THR81A, TYR155a, TYR161a, TYR185a, TYR80A, VAL119A, VAL123A, VAL139a, VAL431A
• A-b: ALA46A, ALA47A, ALA49A, ALA52A, ARG132b, ARG160b, ARG195b, ARG9A, ASN145A, ASN159b, GLN137A, GLN140A, GLN51A, GLU106A, GLU146A, GLU158b, GLU176A, GLU197b, GLU198b, GLU41A, GLU43A, GLY143A, GLY148A, GLY200b, GLY44A, HIS100A, HIS194b, ILE191b, ILE193b, ILE45A, LEU139A, LEU141A, LEU142A, LEU196b, LEU98A, LYS48A, PHE157b, SER144A, SER149A, SER189b, SER190b, SER192b, THR105A, THR147A, THR7A, TYR162b, TYR199b, VAL138A
• A-B: ALA158A, ALA271A, ALA280B, ALA314B, ALA328A, ALA329A, ALA360B, ALA391B, ALA398B, ALA521A, ALA523A, ALA527A, ALA529A, ALA762B, ALA768B, ARG114B, ARG168B, ARG191A, ARG198A, ARG199A, ARG235A, ARG260B, ARG269A, ARG306A, ARG332A, ARG333A, ARG357B, ARG385B, ARG403B, ARG405B, ARG525A, ARG526A, ARG528A, ARG536A, ARG556B, ARG571B, ARG5B, ARG607B, ARG608B, ARG698A, ARG704A, ARG733B, ARG763B, ARG766B, ARG767B, ARG776B, ARG783B, ARG96B, ASN155A, ASN157A, ASN202A, ASN227A, ASN228A, ASN628A, ASN703A, ASP259B, ASP266A, ASP279B, ASP327A, ASP384B, ASP389B, ASP393B, ASP396B, ASP533A, ASP573B, ASP625A, ASP706A, ASP775B, GLN190A, GLN224A, GLN270A, GLN335A, GLN464B, GLN632A, GLN737B, GLN770B, GLU194A, GLU209B, GLU229A, GLU232A, GLU258B, GLU319B, GLU325A, GLU331A, GLU397B, GLU417B, GLU503A, GLU576B, GLU579B, GLU635A, GLU700A, GLU707A, GLU736B, GLU754B, GLU774B, GLU779B, GLU780B, GLY272A, GLY307A, GLY399B, GLY530A, HIS361B, HIS362B, HIS581B, ILE189A, ILE193A, ILE233A, ILE278B, ILE392B, ILE395B, ILE629A, ILE702A, ILE705A, ILE741B, ILE769B, ILE786B, LEU196A, LEU234A, LEU242B, LEU317B, LEU330A, LEU354B, LEU394B, LEU404B, LEU500A, LEU531A, LEU631A, LEU634A, LEU730B, LEU734B, LEU739B, LEU765B, LEU777B, LEU781B, LEU782B, LYS201A, LYS237A, LYS262A, LYS301B, LYS322B, LYS326A, LYS390B, LYS401B, LYS457B, LYS522A, LYS532A, LYS535A, LYS580A, LYS605B, LYS621B, LYS694A, LYS771B, LYS788B, LYS86B, MET478B, MET578B, PHE334A, PHE407B, PHE701A, PRO210B, PRO231A, PRO534A, PRO699A, PRO764B, SER149A, SER156A, SER197A, SER400B, SER406B, SER482B, SER540A, SER575B, SER778B, THR200A, THR316B, THR408B, THR547B, THR640A, THR646A, TRP460B, TRP483B, TYR358B, TYR760B, VAL192A, VAL195A, VAL212B, VAL230A, VAL402B, VAL479B, VAL524A
• b-B: ALA120B, ALA121B, ALA186b, ALA217b, ALA429B, ALA430B, ALA439B, ALA440B, ALA84B, ARG122B, ARG132b, ARG160b, ARG424B, ARG443B, ARG450B, ARG70B, ARG83B, ASN125B, ASN126B, ASN146b, ASN148b, ASN159b, ASN177b, ASN27B, ASN28B, ASP135b, ASP138b, ASP172b, ASP428B, ASP444B, GLN178b, GLN432B, GLN434B, GLN447B, GLN72B, GLN76B, GLU115B, GLU117B, GLU137b, GLU173b, GLU174b, GLU176b, GLU184b, GLU188b, GLU32B, GLU435B, GLU437B, GLU446B, GLU63B, GLU65B, GLY116B, GLY118B, GLY134b, GLY25B, GLY30B, GLY69B, GLY71B, HIS207b, HIS215b, HIS26B, HIS33B, HIS79B, ILE140b, ILE181b, ILE203b, ILE204b, ILE212b, ILE29B, ILE34B, ILE68B, ILE78B, LEU112B, LEU124B, LEU131b, LEU142b, LEU145b, LEU154b, LEU179b, LEU182b, LEU183b, LEU202b, LEU35B, LEU442B, LEU67B, LYS144b, LYS201b, LYS213b, LYS214b, LYS425B, LYS427B, LYS438B, LYS62B, LYS85B, LYS86B, MET74B, PHE133b, PHE136b, PHE157b, PHE216b, PHE436B, PRO82B, SER141b, SER143b, SER156b, SER180b, SER205b, SER218b, SER433B, SER441B, SER66B, SER75B, THR187b, THR211b, THR31B, THR77B, THR81B, TYR155b, TYR161b, TYR185b, TYR80B, VAL119B, VAL123B, VAL139b, VAL175b, VAL431B, VAL64B, VAL87B
• B-c: ALA10B, ALA46B, ARG132c, ARG160c, ARG195c, ARG9B, ASN145B, ASN159c, ASP135c, ASP177B, GLN137B, GLN140B, GLU106B, GLU158c, GLU176B, GLU197c, GLU198c, GLU41B, GLU43B, GLU8B, GLY104B, GLY134c, GLY143B, GLY44B, HIS100B, HIS107B, HIS194c, ILE191c, ILE193c, ILE45B, LEU139B, LEU141B, LEU142B, LEU196c, LEU98B, LYS48B, PHE157c, PHE6B, SER144B, SER178B, SER189c, SER190c, SER192c, THR105B, THR7B, TYR102B, TYR162c, TYR199c, VAL103B, VAL138B
• B-C: ALA158B, ALA167C, ALA271B, ALA280C, ALA305B, ALA328B, ALA360C, ALA391C, ALA398C, ALA492B, ALA519B, ALA521B, ALA523B, ALA527B, ALA529B, ALA696B, ALA762C, ALA768C, ARG114C, ARG168C, ARG191B, ARG198B, ARG199B, ARG235B, ARG238B, ARG260C, ARG269B, ARG306B, ARG332B, ARG357C, ARG385C, ARG403C, ARG405C, ARG525B, ARG526B, ARG528B, ARG536B, ARG556C, ARG571C, ARG5C, ARG695B, ARG698B, ARG704B, ARG733C, ARG763C, ARG766C, ARG767C, ARG776C, ARG783C, ARG96C, ASN157B, ASN159B, ASN202B, ASN227B, ASN228B, ASN273B, ASN501B, ASN628B, ASN703B, ASN785C, ASP164C, ASP180C, ASP236B, ASP243C, ASP259C, ASP266B, ASP279C, ASP327B, ASP356C, ASP389C, ASP393C, ASP396C, ASP497B, ASP533B, ASP573C, ASP625B, ASP636B, ASP687B, ASP706B, ASP757C, ASP775C, ASP93C, GLN190B, GLN224B, GLN270B, GLN310B, GLN335B, GLN493B, GLN737C, GLN770C, GLU194B, GLU229B, GLU232B, GLU258C, GLU267B, GLU319C, GLU325B, GLU331B, GLU359C, GLU397C, GLU417C, GLU495B, GLU503B, GLU567C, GLU576C, GLU635B, GLU692B, GLU700B, GLU707B, GLU754C, GLU759C, GLU774C, GLU779C, GLU780C, GLU89C, GLY211C, GLY245C, GLY272B, GLY307B, GLY353C, GLY399C, GLY530B, GLY539B, GLY548C, GLY691B, GLY761C, GLY784C, HIS361C, HIS362C, HIS581C, HIS623B, HIS772C, ILE189B, ILE193B, ILE233B, ILE268B, ILE299C, ILE324B, ILE337B, ILE392C, ILE395C, ILE538B, ILE702B, ILE705B, ILE708B, ILE709B, ILE741C, ILE769C, ILE786C, ILE88C, LEU166C, LEU196B, LEU234B, LEU242C, LEU261B, LEU304B, LEU309B, LEU351C, LEU354C, LEU394C, LEU404C, LEU499B, LEU500B, LEU531B, LEU631B, LEU693B, LEU730C, LEU734C, LEU739C, LEU758C, LEU765C, LEU777C, LEU781C, LEU782C, LYS175B, LYS187B, LYS201B, LYS237B, LYS262B, LYS263B, LYS322C, LYS326B, LYS376B, LYS390C, LYS401C, LYS414C, LYS457C, LYS498B, LYS522B, LYS532B, LYS535B, LYS580B, LYS686B, LYS688B, LYS694B, LYS771C, LYS788C, LYS86C, LYS97C, MET244C, MET265B, MET502B, MET690B, MET92C, PHE3C, PHE407C, PHE541B, PHE697B, PHE701B, PHE801C, PRO210C, PRO231B, PRO336B, PRO388C, PRO534B, PRO537B, PRO624B, PRO699B, PRO764C, SER156B, SER165C, SER186B, SER197B, SER303B, SER400C, SER406C, SER540B, SER575C, SER778C, THR200B, THR215C, THR241C, THR316C, THR408C, THR496B, THR547C, THR552C, THR731C, TRP483C, TYR358C, TYR760C, VAL192B, VAL195B, VAL230B, VAL402C, VAL518B, VAL520B, VAL524B, VAL689B, VAL773C
• c-C: ALA120C, ALA121C, ALA186c, ALA217c, ALA429C, ALA430C, ALA439C, ALA440C, ALA84C, ARG122C, ARG132c, ARG424C, ARG443C, ARG450C, ARG83C, ASN125C, ASN126C, ASN146c, ASN159c, ASN177c, ASN27C, ASN28C, ASP135c, ASP138c, ASP172c, ASP428C, ASP444C, GLN178c, GLN432C, GLN434C, GLN447C, GLN72C, GLN76C, GLU115C, GLU117C, GLU137c, GLU173c, GLU174c, GLU176c, GLU184c, GLU188c, GLU32C, GLU426C, GLU435C, GLU437C, GLU446C, GLU63C, GLY116C, GLY118C, GLY134c, GLY200c, GLY30C, HIS207c, HIS215c, HIS26C, HIS33C, HIS79C, ILE140c, ILE181c, ILE203c, ILE204c, ILE212c, ILE29C, ILE68C, ILE78C, LEU131c, LEU142c, LEU145c, LEU154c, LEU179c, LEU182c, LEU183c, LEU202c, LEU442C, LEU67C, LYS144c, LYS201c, LYS213c, LYS214c, LYS425C, LYS427C, LYS438C, LYS85C, LYS86C, MET74C, PHE133c, PHE136c, PHE216c, PHE436C, PRO82C, SER141c, SER143c, SER156c, SER180c, SER205c, SER218c, SER433C, SER441C, THR187c, THR211c, THR31C, THR445C, THR81C, TYR155c, TYR161c, TYR185c, TYR80C, VAL119C, VAL123C, VAL139c, VAL175c, VAL431C, VAL87C