3CI0

the crystal structure of the gspk-gspi-gspj complex from enterotoxigenic escherichia coli type 2 secretion system

• Total interactions analyzed: 3
• Total true interactions: 3
• Strongest Interaction:
  • Chains: J-K
  • Int. Res.: 155
  • Norm. En. per Res.: -4.1736
• Hub Node: I(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
I-J	-17.2196	-14.2054	-151.939	-183.364	71	4	9	7101	0	10	8
I-K	-16.4143	1.0884	-167.387	-182.7129	77	15	2	6630	0	8	5
J-K	-110.2841	-66.1093	-470.521	-646.9144	155	27	9	17981	5	31	24

Interface residues

• I-J: ALA169J, ALA40I, ALA44I, ALA49I, ALA70I, ARG108I, ARG155J, ARG171J, ARG184J, ARG189J, ARG59I, ASN42J, ASN46I, ASP152J, ASP68I, GLN178J, GLN192J, GLN31I, GLN39J, GLN45J, GLN47I, GLU181J, GLU183J, GLU35I, GLU36I, GLU45I, GLY153J, GLY180J, GLY190J, GLY41I, GLY71I, HIS175J, HIS32I, ILE141J, ILE182J, ILE185J, LEU174J, LEU187J, LEU188J, LEU34I, LEU41J, LEU50I, LEU51I, LEU53I, LYS37I, LYS40J, PHE112I, PRO191J, SER113I, SER176J, SER49J, SER67I, SER72I, THR154J, THR38I, THR47J, THR48I, THR52J, TRP111I, TRP156J, TRP179J, TRP186J, TRP42I, TRP74I, TYR151J, TYR52I, VAL168J, VAL170J, VAL33I, VAL39I, VAL43I
• I-K: ALA110I, ALA114I, ALA44I, ALA45K, ALA47K, ALA49I, ALA51K, ALA54K, ALA86I, ALA90I, ARG108I, ARG109I, ARG30K, ARG32K, ARG56I, ARG59I, ARG76K, ASN46I, ASN85I, ASP92I, GLN106I, GLN303K, GLN31I, GLN34K, GLN35K, GLN38K, GLN39K, GLN47I, GLN89I, GLU35I, GLU36I, GLU36K, GLU45I, GLU48K, GLY29K, GLY41I, GLY84I, HIS304K, ILE105I, ILE85K, ILE93I, LEU34I, LEU41K, LEU50I, LEU50K, LEU51I, LEU52K, LEU53I, LEU57K, LEU80K, LEU88I, LYS37I, LYS60K, PHE112I, PHE78K, PRO79K, PRO81K, SER107I, SER113I, SER44K, SER46K, SER49K, SER53K, SER56K, THR31K, THR38I, THR48I, THR83I, TRP111I, TRP42I, TRP42K, TYR37K, TYR43K, TYR52I, VAL33I, VAL39I, VAL91I
• J-K: ALA129J, ALA130J, ALA160K, ALA165J, ALA167K, ALA168K, ALA173K, ALA186K, ALA45K, ALA47K, ALA51K, ALA73J, ARG101J, ARG104J, ARG145K, ARG161K, ARG179K, ARG184J, ARG189J, ARG30K, ARG32K, ARG61J, ARG64J, ARG70J, ARG92J, ASN106J, ASN169K, ASN294K, ASN42J, ASN97J, ASP128J, ASP142K, ASP144K, ASP155K, ASP174K, ASP185K, ASP54J, ASP66J, GLN164J, GLN170K, GLN182K, GLN190K, GLN192J, GLN311K, GLN34K, GLN35K, GLN38K, GLN45J, GLN46J, GLN57J, GLN67J, GLN69J, GLU139K, GLU143K, GLU154K, GLU177K, GLU314K, GLU48K, GLU71J, GLY131J, GLY187K, GLY190J, GLY29K, GLY313K, GLY65J, GLY68J, GLY93J, GLY94J, HIS304K, HIS310K, HIS53J, ILE141K, ILE166J, ILE175K, ILE185J, ILE297K, LEU102J, LEU107J, LEU126J, LEU159K, LEU172K, LEU187J, LEU188J, LEU280K, LEU291K, LEU296K, LEU308K, LEU41J, LEU41K, LEU43J, LEU50K, LEU51J, LEU52K, LEU55J, LEU99J, LYS134J, LYS193K, MET178K, MET184K, MET293K, MET300K, PHE140K, PHE165K, PHE305K, PHE50J, PRO103J, PRO125J, PRO164K, PRO167J, PRO171K, PRO191J, PRO200K, PRO60J, PRO62J, PRO98J, SER105J, SER132J, SER162K, SER176K, SER295K, SER306K, SER315K, SER33K, SER44K, SER46K, SER49J, SER49K, SER53K, THR127J, THR292K, THR312K, THR31K, THR47J, THR52J, THR56J, TRP124J, TRP186J, TRP309K, TRP42K, TYR158K, TYR166K, TYR189K, TYR37K, VAL133J, VAL163J, VAL163K, VAL168J, VAL180K, VAL181K, VAL298K, VAL307K, VAL63J, VAL91J, VAL95J, VAL96J