1Q3Q

crystal structure of the chaperonin from thermococcus strain ks-1 (two-point mutant complexed with amp-pnp)

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: A-C
  • Int. Res.: 84
  • Norm. En. per Res.: -4.1826
• 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	-276.9106	-106.1385	-799.612	-1182.6611	283	53	20	32684	17	164	163
A-C	-29.013	-168.1937	-154.131	-351.3377	84	3	2	6692	19	50	48
A-D	0.0	0.0	-0.1535	-0.1535	6	0	0	29	0	6	10
B-C	0.0	0.0	-0.5116	-0.5116	18	0	0	207	0	6	7
B-D	-26.2807	-135.1531	-150.014	-311.4478	82	3	2	6692	17	50	48
C-D	-291.6417	-132.1693	-774.689	-1198.5	289	66	18	32476	18	165	166

Interface residues

• A-B: ALA129B, ALA132B, ALA167A, ALA206A, ALA24B, ALA255A, ALA255B, ALA301A, ALA306A, ALA31A, ALA31B, ALA325B, ALA32A, ALA330B, ALA356A, ALA452A, ALA455A, ALA508B, ALA511B, ALA512B, ALA523B, ALA524B, ALA526B, ALA78A, ALA78B, ALA79A, ALA79B, ALA86B, ALA93B, ARG18B, ARG229A, ARG233A, ARG26A, ARG314A, ARG33A, ARG353A, ARG377A, ARG389A, ARG499B, ARG517B, ASN166A, ASN199B, ASN243B, ASN258A, ASN258B, ASN28A, ASN28B, ASN335B, ASN359A, ASN454A, ASN63A, ASP196B, ASP198B, ASP254A, ASP254B, ASP263A, ASP263B, ASP278B, ASP298A, ASP299A, ASP338B, ASP343B, ASP385A, ASP49A, ASP519B, ASP520B, ASP54A, ASP58A, ASP73A, ASP90B, GLN136B, GLN17A, GLN17B, GLN25B, GLN264A, GLN264B, GLN271A, GLN271B, GLN294B, GLN302A, GLN503B, GLN75A, GLN75B, GLN89B, GLU133B, GLU14B, GLU168A, GLU187B, GLU208A, GLU211A, GLU212A, GLU224A, GLU244B, GLU247A, GLU247B, GLU252B, GLU270A, GLU270B, GLU272A, GLU272B, GLU273A, GLU273B, GLU322B, GLU342B, GLU351A, GLU352A, GLU358A, GLU37A, GLU381A, GLU386A, GLU403B, GLU453A, GLU510B, GLU84B, GLU92B, GLY164A, GLY207A, GLY209A, GLY21B, GLY329B, GLY357A, GLY378A, GLY379A, GLY44A, GLY456A, GLY47A, GLY57A, HIS120B, HIS170A, HIS227A, HIS303A, HIS382A, HIS76A, HIS76B, ILE11B, ILE123B, ILE257A, ILE257B, ILE259A, ILE259B, ILE29A, ILE332B, ILE34A, ILE35A, ILE384A, ILE505B, ILE513B, ILE515B, ILE518B, ILE522B, ILE59A, ILE68A, ILE72A, LEU12B, LEU130B, LEU197B, LEU265A, LEU269A, LEU269B, LEU276A, LEU276B, LEU27A, LEU27B, LEU300A, LEU30A, LEU339B, LEU355A, LEU451A, LEU457A, LEU516B, LEU52A, LEU56A, LEU69A, LEU74A, LEU74B, LYS126B, LYS165A, LYS171A, LYS189B, LYS205A, LYS232A, LYS249A, LYS249B, LYS250A, LYS250B, LYS256A, LYS256B, LYS274A, LYS274B, LYS277A, LYS295B, LYS307A, LYS318B, LYS326B, LYS331B, LYS337B, LYS354A, LYS396B, LYS399B, LYS432B, LYS46A, LYS502B, LYS506B, LYS50A, LYS525B, LYS71A, LYS80A, LYS80B, LYS87B, LYS91B, MET266A, MET266B, MET275A, MET275B, MET279B, MET321B, MET48A, MET514B, MET51A, MET81B, MET82B, PHE268A, PHE268B, PHE482A, PRO121B, PRO13B, PRO228A, PRO262A, PRO45A, PRO77A, PRO77B, SER122B, SER169A, SER261A, SER261B, SER267A, SER267B, SER319B, SER507B, SER509B, SER55A, THR125B, THR163A, THR16B, THR251A, THR251B, THR253B, THR260A, THR260B, THR334B, THR340B, THR380A, THR38A, THR41A, THR42A, THR62A, THR88B, TYR128B, TYR19A, TYR19B, TYR304A, VAL10B, VAL194B, VAL195B, VAL20B, VAL210A, VAL225A, VAL226A, VAL248A, VAL248B, VAL333B, VAL336B, VAL383A, VAL387A, VAL39A, VAL481A, VAL521B, VAL53A, VAL60A, VAL61A, VAL83B, VAL85B, VAL9B
• A-C: ALA31A, ALA31C, ALA36A, ALA36C, ALA452C, ARG109A, ARG109C, ARG22A, ARG22C, ARG26A, ARG26C, ARG33A, ARG33C, ARG40A, ARG40C, ASN118A, ASN118C, ASN439C, ASP116A, ASP116C, ASP23A, ASP23C, ASP458A, ASP458C, GLN117A, GLN117C, GLU106A, GLU106C, GLU112A, GLU112C, GLU113A, GLU113C, GLU37A, GLU37C, GLU453A, GLU453C, GLU461A, GLU461C, HIS120A, HIS120C, ILE119A, ILE119C, ILE123A, ILE123C, ILE29A, ILE29C, ILE34A, ILE34C, ILE35A, ILE35C, ILE446A, ILE446C, LEU114A, LEU114C, LEU115A, LEU115C, LEU27A, LEU27C, LEU30A, LEU30C, LEU435A, LEU435C, LEU457A, LEU457C, LEU463A, LEU463C, LYS110A, LYS110C, LYS432A, LYS432C, LYS449A, LYS449C, THR38A, THR38C, THR41A, THR41C, THR450A, THR450C, THR459A, THR459C, VAL460A, VAL460C, VAL464A, VAL464C
• A-D: ASP458A, ASP458D, GLY456A, GLY456D, LEU457A, LEU457D
• B-C: ARG18B, ARG18C, ARG22B, ARG22C, ARG26B, ARG26C, ASP23B, ASP23C, ILE11B, ILE11C, LEU27B, LEU27C, LEU30B, LEU30C, VAL20B, VAL20C, VAL9B, VAL9C
• B-D: ALA31B, ALA31D, ALA36D, ALA452B, ALA452D, ARG109B, ARG109D, ARG22B, ARG22D, ARG26B, ARG26D, ARG33B, ARG33D, ARG40B, ARG40D, ASN118B, ASN118D, ASP116B, ASP116D, ASP23B, ASP23D, ASP458B, ASP458D, GLN117B, GLN117D, GLU106B, GLU106D, GLU112B, GLU112D, GLU113B, GLU113D, GLU37B, GLU37D, GLU453B, GLU453D, GLU461B, GLU461D, HIS120B, HIS120D, ILE119B, ILE119D, ILE123D, ILE29B, ILE29D, ILE34B, ILE34D, ILE35B, ILE35D, ILE446B, ILE446D, LEU114B, LEU114D, LEU115B, LEU115D, LEU27B, LEU27D, LEU30B, LEU30D, LEU435B, LEU435D, LEU457B, LEU457D, LEU463B, LEU463D, LYS110B, LYS110D, LYS432B, LYS432D, LYS449B, LYS449D, MET462B, THR38B, THR38D, THR41D, THR450B, THR450D, THR459B, THR459D, VAL460B, VAL460D, VAL464B, VAL464D
• C-D: ALA129C, ALA132C, ALA167D, ALA206D, ALA24C, ALA255C, ALA255D, ALA301D, ALA306D, ALA31C, ALA31D, ALA325C, ALA32D, ALA330C, ALA356D, ALA36D, ALA390D, ALA452D, ALA455D, ALA508C, ALA511C, ALA512C, ALA523C, ALA524C, ALA526C, ALA78C, ALA78D, ALA79C, ALA79D, ALA86C, ALA93C, ARG18C, ARG229D, ARG233D, ARG26D, ARG314D, ARG33D, ARG353D, ARG377D, ARG389D, ARG499C, ARG517C, ASN166D, ASN199C, ASN243C, ASN258C, ASN258D, ASN28C, ASN28D, ASN335C, ASN359D, ASN454D, ASN63D, ASP196C, ASP198C, ASP254C, ASP254D, ASP263C, ASP263D, ASP278C, ASP298D, ASP299D, ASP338C, ASP343C, ASP385D, ASP49D, ASP519C, ASP520C, ASP54D, ASP58D, ASP64D, ASP73D, ASP90C, GLN136C, GLN17C, GLN17D, GLN25C, GLN264C, GLN264D, GLN271C, GLN271D, GLN294C, GLN302D, GLN503C, GLN75C, GLN75D, GLN89C, GLU133C, GLU14C, GLU168D, GLU187C, GLU208D, GLU211D, GLU212D, GLU224D, GLU244C, GLU247C, GLU247D, GLU252C, GLU270C, GLU270D, GLU272C, GLU272D, GLU273C, GLU273D, GLU322C, GLU351D, GLU352D, GLU358D, GLU37D, GLU381D, GLU386D, GLU403C, GLU453D, GLU510C, GLU84C, GLU92C, GLY164D, GLY207D, GLY209D, GLY21C, GLY329C, GLY357D, GLY378D, GLY379D, GLY44D, GLY456D, GLY47D, GLY57D, HIS120C, HIS170D, HIS227D, HIS303D, HIS382D, HIS76C, HIS76D, ILE11C, ILE123C, ILE124C, ILE162D, ILE242C, ILE257C, ILE257D, ILE259C, ILE259D, ILE29D, ILE332C, ILE34D, ILE35D, ILE384D, ILE505C, ILE513C, ILE515C, ILE518C, ILE522C, ILE59D, ILE68D, ILE72D, LEU115C, LEU12C, LEU130C, LEU197C, LEU241C, LEU265C, LEU265D, LEU269C, LEU269D, LEU276C, LEU276D, LEU27C, LEU27D, LEU300D, LEU30D, LEU339C, LEU355D, LEU457D, LEU516C, LEU52D, LEU56D, LEU69D, LEU74C, LEU74D, LYS126C, LYS165D, LYS171D, LYS189C, LYS205D, LYS232D, LYS249C, LYS249D, LYS250C, LYS250D, LYS256C, LYS256D, LYS274C, LYS274D, LYS277D, LYS295C, LYS307D, LYS318C, LYS323C, LYS326C, LYS331C, LYS337C, LYS354D, LYS396C, LYS399C, LYS46D, LYS502C, LYS506C, LYS50D, LYS525C, LYS71D, LYS80C, LYS80D, LYS87C, LYS91C, MET266C, MET266D, MET275C, MET275D, MET279C, MET321C, MET48D, MET514C, MET51D, MET81C, MET82C, PHE268C, PHE268D, PHE482D, PRO121C, PRO13C, PRO228D, PRO262D, PRO45D, PRO77C, PRO77D, SER122C, SER169D, SER261D, SER267C, SER267D, SER319C, SER507C, SER509C, SER55D, THR125C, THR163D, THR16C, THR251C, THR251D, THR253C, THR260C, THR260D, THR334C, THR340C, THR380D, THR38D, THR41D, THR42D, THR62D, THR88C, TYR128C, TYR19C, TYR19D, TYR304D, VAL10C, VAL194C, VAL195C, VAL20C, VAL210D, VAL225D, VAL226D, VAL248C, VAL248D, VAL333C, VAL336C, VAL383D, VAL387D, VAL39D, VAL481D, VAL521C, VAL53D, VAL60D, VAL61D, VAL83C, VAL85C, VAL9C