3GR1

periplamic domain of the t3ss inner membrane protein prgh from s.typhimurium (fragment 170-392)

• Total interactions analyzed: 28
• Total true interactions: 15
• Strongest Interaction:
  • Chains: E-G
  • Int. Res.: 95
  • Norm. En. per Res.: -2.6839
• Hub Node: B(6)

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	-3.5881	-0.8545	-62.6016	-67.0442	74	12	1	5656	0	30	34
A-F	0.0	2.6876	-1.1146	1.573	2	0	0	146	0	2	4
A-G	0.0	0.0	-0.3755	-0.3755	6	0	0	70	0	4	3
B-C	-36.6079	-13.0271	-171.738	-221.373	92	13	9	8153	6	33	31
B-D	-26.4655	-6.7054	-168.959	-202.13	98	12	14	8726	6	30	33
B-E	0.0	0.0	-0.2488	-0.2488	6	0	0	29	0	3	2
B-F	0.0	0.0	-2.898	-2.898	12	0	0	258	0	4	7
B-G	0.0	1.8751	-0.7911	1.0841	2	0	0	128	0	1	1
B-H	0.0	-5.9158	-3.3374	-9.2532	10	0	0	361	0	5	5
C-E	-5.7233	11.3326	-81.4185	-75.8091	58	12	0	4978	4	38	31
D-F	0.0	0.0	-0.1093	-0.1093	4	0	0	53	0	1	3
D-H	-13.5393	41.0153	-69.5767	-42.1007	62	12	0	4871	5	31	28
E-G	-36.9257	-24.217	-193.826	-254.9687	95	9	11	8761	5	31	30
E-H	0.0	0.6402	-13.4054	-12.7652	13	1	0	856	0	8	6
F-H	0.0	7.2818	-14.4706	-7.1888	22	0	0	1192	0	12	13

Interface residues

• A-B: ALA220A, ALA220B, ALA281A, ALA281B, ARG190A, ARG190B, ARG221A, ARG221B, ARG231A, ARG231B, ARG280A, ARG280B, ASN219A, ASN219B, ASP191A, ASP191B, ASP217A, ASP217B, ASP237A, GLN277A, GLN277B, GLU271A, GLU271B, GLU273A, GLU273B, GLY189A, GLY189B, ILE232A, ILE232B, ILE234A, ILE234B, LEU194A, LEU194B, LEU236A, LEU236B, LEU275A, LEU275B, LEU282A, LEU282B, LYS192A, LYS192B, LYS218A, LYS218B, LYS230A, LYS270A, LYS270B, LYS278A, LYS278B, MET193A, MET193B, MET267B, MET283A, MET283B, PRO284A, PRO284B, SER233A, SER233B, SER268A, SER268B, SER276A, SER276B, THR238A, THR238B, TRP235A, TRP235B, TYR195A, TYR195B, TYR216B, TYR239A, TYR239B, TYR240A, TYR240B, VAL274A, VAL274B
• A-F: LYS192A, LYS192F
• A-G: GLU273A, GLU273G, HIS168A, LYS192G, LYS270A, LYS270G
• B-C: ALA197B, ALA198B, ALA207B, ALA212B, ALA220B, ALA305C, ALA311C, ALA339C, ARG183B, ARG202B, ARG208B, ARG213B, ARG221B, ARG247C, ARG254B, ARG262C, ARG338C, ARG340B, ARG340C, ARG348C, ASN219B, ASN224B, ASN226B, ASN226C, ASN229C, ASP174C, ASP203B, ASP215B, ASP217B, ASP251C, ASP295C, ASP332C, ASP344B, ASP344C, GLN179C, GLN185B, GLN199C, GLN209B, GLN302C, GLN309C, GLN310C, GLN341C, GLU180C, GLU182B, GLU201B, GLU225C, GLU227B, GLU252C, GLY178C, GLY214B, GLY306C, GLY351C, HIS249C, ILE223B, ILE248C, LEU173C, LEU176C, LEU177C, LEU187B, LEU194B, LEU205B, LEU211B, LEU337C, LYS181C, LYS218B, LYS230B, LYS308C, MET294C, PHE184B, PHE250C, PHE342C, SER175C, SER345C, THR204B, THR292C, THR298C, THR349C, TRP206B, TRP259C, TRP350C, TYR195B, TYR216B, TYR346C, TYR347C, VAL186B, VAL196B, VAL210B, VAL222B, VAL257C, VAL297C, VAL334C, VAL343C
• B-D: ALA170B, ALA171B, ALA197D, ALA198D, ALA207D, ALA212D, ALA220D, ALA305B, ALA311B, ALA339B, ARG183D, ARG202D, ARG208D, ARG213D, ARG221D, ARG231D, ARG247B, ARG262B, ARG338B, ARG340B, ARG340D, ARG348B, ASN219D, ASN224D, ASN226B, ASN226D, ASN229B, ASP174B, ASP203D, ASP215D, ASP217D, ASP251B, ASP295B, ASP332B, ASP333B, ASP344B, ASP344D, GLN179B, GLN185D, GLN199B, GLN209D, GLN302B, GLN309B, GLN310B, GLN341B, GLU172B, GLU180B, GLU182D, GLU201D, GLU225B, GLU227D, GLU252B, GLU335B, GLY178B, GLY214D, GLY306B, GLY351B, HIS249B, ILE234D, ILE248B, LEU173B, LEU176B, LEU177B, LEU187D, LEU194D, LEU205D, LEU211D, LEU337B, LYS181B, LYS218D, LYS230D, LYS308B, MET294B, PHE184D, PHE250B, PHE342B, PRO188D, SER175B, SER345B, THR204D, THR292B, THR298B, THR349B, TRP206D, TRP259B, TRP350B, TYR195D, TYR216D, TYR346B, TYR347B, VAL186D, VAL196D, VAL210D, VAL222D, VAL257B, VAL297B, VAL334B, VAL343B
• B-E: ASP215B, GLU172E, GLU182B, GLY214B, LYS269E, TYR216B
• B-F: ALA170B, ALA171B, ARG190F, GLN277B, GLU172B, GLU273B, GLU273F, LYS192F, LYS269B, LYS270B, LYS270F, PRO188F
• B-G: LYS192B, LYS192G
• B-H: ALA170B, ALA171B, ARG190H, ARG280H, ASP174B, ASP191H, GLN277H, GLU172B, GLY189H, LYS192H
• C-E: ALA286C, ALA286E, ARG190C, ARG190E, ARG254C, ARG254E, ARG280C, ARG280E, ASN219C, ASN219E, ASN290C, ASP191C, ASP191E, ASP251C, ASP251E, ASP287C, ASP287E, GLN185C, GLN185E, GLN277C, GLN277E, GLU180E, GLU182C, GLU182E, GLU252C, GLU252E, GLY189C, GLY189E, LEU187C, LEU187E, LEU194C, LEU194E, LYS181C, LYS181E, LYS192C, LYS192E, LYS255C, LYS255E, LYS269C, MET193C, MET193E, PHE184C, PHE184E, PRO188C, PRO188E, PRO253C, PRO253E, PRO284C, PRO284E, SER175E, SER288C, SER288E, TYR195C, TYR195E, TYR285C, TYR285E, VAL186C, VAL186E
• D-F: LEU194D, LYS192D, LYS269F, LYS270F
• D-H: ALA171H, ALA286D, ALA286H, ARG190D, ARG190H, ARG254D, ARG254H, ARG280D, ARG280H, ASN219D, ASN219H, ASN290D, ASN290H, ASP191D, ASP191H, ASP251D, ASP251H, ASP287D, ASP287H, GLN179D, GLN185D, GLN185H, GLU172D, GLU172H, GLU180D, GLU182D, GLU252D, GLU252H, GLY178H, GLY189D, GLY189H, HIS168H, LEU176D, LEU187D, LEU187H, LEU194D, LEU194H, LYS181D, LYS192D, LYS192H, LYS255D, LYS255H, LYS269D, LYS269H, MET169H, MET193D, MET193H, PHE184H, PRO188D, PRO188H, PRO253D, PRO253H, PRO284D, PRO284H, SER175H, SER288D, SER288H, THR292D, TYR285D, TYR285H, VAL186D, VAL186H
• E-G: ALA171E, ALA197G, ALA198G, ALA207G, ALA212G, ALA220G, ALA305E, ALA311E, ALA339E, ARG183G, ARG202G, ARG208G, ARG213G, ARG221G, ARG231G, ARG247E, ARG338E, ARG340E, ARG340G, ARG348E, ASN219G, ASN224G, ASN226E, ASN226G, ASN229E, ASP174E, ASP203G, ASP215G, ASP217G, ASP251E, ASP295E, ASP332E, ASP344E, GLN179E, GLN185G, GLN199E, GLN209G, GLN302E, GLN309E, GLN310E, GLN341E, GLU172E, GLU180E, GLU201G, GLU225E, GLU227G, GLU252E, GLU335E, GLY178E, GLY214G, GLY306E, GLY351E, HIS249E, ILE223G, ILE234G, ILE248E, LEU173E, LEU176E, LEU177E, LEU187G, LEU194G, LEU205G, LEU211G, LEU337E, LYS181E, LYS218G, LYS230G, LYS308E, MET294E, PHE184G, PHE250E, PHE342E, PRO188G, PRO256E, SER175E, SER345E, THR204G, THR292E, THR298E, THR349E, TRP206G, TRP259E, TRP350E, TYR195G, TYR216G, TYR346E, TYR347E, VAL186G, VAL196G, VAL210G, VAL222G, VAL257E, VAL297E, VAL334E, VAL343E
• E-H: GLU271E, GLU271H, LEU272H, LYS269E, LYS269H, LYS270E, LYS270H, MET267E, MET267H, SER268E, SER268H, THR266E, VAL274H
• F-H: ARG190H, ARG221H, ARG262F, ASN219H, ASN265F, ASP191H, ASP215H, GLN263F, GLU271F, GLU273F, GLY189H, LEU293F, LYS192H, LYS218H, LYS269F, LYS270F, MET193H, MET267F, PRO284H, SER268F, THR266F, TYR195H