1OJL

crystal structure of a sigma54-activator suggests the mechanism for the conformational switch necessary for sigma54 binding

• Total interactions analyzed: 15
• Total true interactions: 7
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 111
  • Norm. En. per Res.: -2.7185
• Hub Node: B(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	-19.2947	-116.6483	-165.81	-301.7529	111	17	6	8492	7	37	33
A-E	0.0	-0.9381	-24.403	-25.3411	27	0	0	1075	0	6	5
B-C	-13.0741	-60.547	-174.565	-248.1861	115	13	6	8713	8	41	37
B-E	0.0	0.0	-38.5017	-38.5017	53	2	0	2140	0	12	9
B-F	0.0	0.0	-2.449	-2.449	7	0	0	128	0	2	3
D-E	-27.72	-109.2442	-149.75	-286.7141	109	12	7	7899	8	35	33
E-F	-14.1732	-24.3337	-135.235	-173.742	118	12	6	8326	7	37	30

Interface residues

• A-B: ALA159B, ALA163B, ALA199A, ALA200A, ALA306B, ALA364A, ALA368A, ALA385A, ARG224A, ARG225A, ARG228A, ARG252B, ARG255B, ARG260B, ARG276B, ARG283A, ARG295B, ARG301B, ARG329A, ARG333A, ARG335A, ARG359A, ARG367A, ASN153B, ASN197A, ASN202A, ASN268B, ASN303B, ASN334A, ASN357A, ASN363A, ASP162B, ASP170A, ASP240A, ASP244A, ASP274B, ASP297B, ASP353A, CYS198A, GLN250B, GLN258B, GLN263B, GLN296B, GLU154B, GLU176A, GLU203B, GLU207B, GLU209A, GLU231A, GLU241A, GLU259B, GLU308B, GLU360A, GLU362A, GLU366A, GLU381A, GLY172A, GLY216B, GLY266B, GLY292B, GLY356A, GLY374A, HIS150B, HIS213A, HIS282A, ILE257B, ILE307B, ILE358A, ILE365A, LEU196A, LEU201A, LEU205A, LEU248B, LEU254B, LEU298B, LEU302B, LEU361A, LEU371A, LEU372A, LEU384A, LYS175A, LYS215B, LYS336A, MET157B, MET249B, PHE326A, PHE330A, PRO160B, PRO247B, PRO355A, PRO383A, SER161B, SER171A, SER246B, SER267B, THR164B, THR219A, THR373A, TRP354A, TYR299B, TYR300B, TYR352A, VAL158B, VAL165B, VAL251B, VAL265B, VAL289B, VAL304B, VAL305B, VAL369A, VAL370A
• A-E: ARG335A, ARG380A, ARG380E, ASN334A, GLN344E, GLU375A, GLU375E, GLY340E, GLY374A, GLY374E, ILE377E, LEU371A, LEU372A, LEU372E, LYS336A, LYS339E, PHE341E, PRO343E, SER378E, THR342E, THR373A, THR373E, TYR376E, VAL337A, VAL337E, VAL369A, VAL370A
• B-C: ALA159C, ALA163C, ALA199B, ALA200B, ALA217C, ALA221B, ALA306C, ALA364B, ALA368B, ALA385B, ARG180B, ARG188C, ARG225B, ARG228B, ARG252C, ARG255C, ARG260C, ARG276C, ARG295C, ARG301C, ARG329B, ARG333B, ARG335B, ARG359B, ARG367B, ASN197B, ASN202B, ASN268C, ASN303C, ASN334B, ASN357B, ASN363B, ASP162C, ASP170B, ASP222B, ASP222C, ASP240B, ASP274C, ASP297C, ASP353B, CYS198B, GLN250C, GLN258C, GLN263C, GLN296C, GLU154C, GLU176B, GLU203C, GLU207C, GLU209B, GLU214C, GLU231B, GLU241B, GLU259C, GLU360B, GLU362B, GLU366B, GLU381B, GLY172B, GLY216C, GLY220B, GLY220C, GLY266C, GLY356B, GLY374B, HIS282B, ILE257C, ILE358B, ILE365B, LEU196B, LEU201B, LEU205B, LEU248C, LEU254C, LEU298C, LEU302C, LEU361B, LEU371B, LEU372B, LYS215C, LYS223B, LYS336B, MET157C, MET249C, PHE218B, PHE218C, PHE326B, PHE330B, PRO160C, PRO247C, PRO355B, PRO383B, SER161C, SER171B, SER246C, SER267C, THR164C, THR195B, THR219B, THR219C, THR270C, THR373B, TRP354B, TYR299C, TYR300C, TYR352B, VAL158C, VAL165C, VAL194B, VAL251C, VAL275C, VAL304C, VAL305C, VAL369B, VAL370B
• B-E: ALA147E, ALA156B, ALA159B, ALA345E, ARG316E, ARG328B, ARG328E, ASN153B, ASN153E, ASP318B, ASP318E, ASP324B, ASP324E, ASP347E, CYS185B, GLN149B, GLN149E, GLN344E, GLU154B, GLU317B, GLU317E, GLU375E, GLY143B, GLY340E, HIS150B, HIS150E, HIS325B, HIS351E, ILE142B, ILE350E, LEU152B, LEU321B, LEU321E, LYS339B, LYS339E, MET157B, MET346E, PHE341E, PRO146B, PRO146E, PRO160B, PRO320B, PRO320E, PRO343E, SER139B, SER144B, SER144E, SER145B, SER145E, SER186B, THR342E, TYR376E, VAL158B
• B-F: ARG380F, GLU375B, GLY374F, LYS339B, THR373F, TYR376B, VAL337B
• D-E: ALA159D, ALA163D, ALA199E, ALA200E, ALA217D, ALA306D, ALA364E, ALA368E, ALA385E, ARG188D, ARG225E, ARG228E, ARG252D, ARG255D, ARG260D, ARG276D, ARG283E, ARG295D, ARG301D, ARG329E, ARG333E, ARG335E, ARG359E, ARG367E, ASN153D, ASN197E, ASN202E, ASN268D, ASN303D, ASN334E, ASN357E, ASN363E, ASP162D, ASP170E, ASP240E, ASP244E, ASP274D, ASP297D, ASP353E, CYS198E, GLN250D, GLN258D, GLN263D, GLN296D, GLU154D, GLU176E, GLU203D, GLU207D, GLU209E, GLU241E, GLU259D, GLU360E, GLU362E, GLU366E, GLY172E, GLY216D, GLY220D, GLY266D, GLY292D, GLY356E, HIS282E, ILE257D, ILE358E, ILE365E, LEU166D, LEU196E, LEU201E, LEU205E, LEU248D, LEU254D, LEU277D, LEU298D, LEU302D, LEU361E, LEU371E, LEU372E, LYS215D, LYS336E, MET157D, MET249D, PHE218D, PHE218E, PHE326E, PHE330E, PRO160D, PRO247D, PRO355E, PRO383E, SER161D, SER171E, SER246D, SER267D, THR164D, THR219D, THR219E, THR373E, TRP354E, TYR299D, TYR300D, TYR352E, VAL158D, VAL165D, VAL251D, VAL275D, VAL289D, VAL304D, VAL305D, VAL369E, VAL370E
• E-F: ALA156E, ALA159E, ALA163E, ALA199F, ALA200F, ALA217E, ALA306E, ALA364F, ALA368F, ALA385F, ARG188E, ARG224F, ARG225F, ARG228F, ARG252E, ARG255E, ARG260E, ARG264E, ARG276E, ARG283F, ARG295E, ARG301E, ARG329F, ARG333F, ARG335F, ARG359F, ARG367F, ASN153E, ASN197F, ASN202F, ASN268E, ASN303E, ASN334F, ASN357F, ASN363F, ASP162E, ASP170F, ASP244F, ASP274E, ASP297E, ASP353F, CYS198F, GLN250E, GLN258E, GLN263E, GLN296E, GLU154E, GLU176F, GLU203E, GLU203F, GLU207E, GLU209F, GLU214E, GLU226F, GLU241F, GLU259E, GLU308E, GLU360F, GLU362F, GLU366F, GLU381F, GLY172F, GLY216E, GLY266E, GLY292E, GLY356F, GLY374F, HIS150E, HIS213F, HIS282F, ILE257E, ILE307E, ILE358F, ILE365F, LEU196F, LEU201F, LEU205F, LEU206F, LEU248E, LEU254E, LEU298E, LEU302E, LEU361F, LEU371F, LEU372F, LEU384F, LYS215E, LYS223F, LYS336F, MET157E, MET249E, PHE326F, PHE330F, PRO160E, PRO247E, PRO355F, PRO383F, SER161E, SER171F, SER208F, SER246E, SER267E, THR164E, THR219F, THR373F, TRP354F, TYR299E, TYR300E, TYR352F, VAL158E, VAL165E, VAL251E, VAL265E, VAL289E, VAL304E, VAL305E, VAL369F, VAL370F