3IR1

crystal structure of lipoprotein gna1946 from neisseria meningitidis

• Total interactions analyzed: 15
• Total true interactions: 8
• Strongest Interaction:
  • Chains: A-C
  • Int. Res.: 68
  • Norm. En. per Res.: -3.3517
• Hub Node: A(4)

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	0.0	55.2694	-124.222	-68.9526	51	1	3	4601	0	28	36
A-C	-43.4003	-38.4987	-146.019	-227.918	68	6	5	6176	3	25	31
A-D	-21.7053	-1.9226	-93.2721	-116.9	54	3	1	4373	3	43	44
A-E	-6.9039	11.6446	-69.8483	-65.1076	52	1	1	2974	1	17	18
B-C	0.0	35.114	-14.6015	20.5125	21	0	1	624	0	16	16
B-F	-8.5172	5.9928	-79.41	-81.9344	50	1	0	4072	1	40	46
C-E	-24.5106	23.1012	-81.4122	-82.8217	60	4	3	3878	2	34	23
D-E	0.0	22.4436	-122.749	-100.3054	80	2	3	5520	0	28	44

Interface residues

• A-B: ALA87A, ALA87B, ALA89A, ALA89B, ARG83A, ARG83B, ASN112A, ASN112B, ASN85A, ASN85B, ASP114A, ASP114B, ASP80A, ASP80B, GLU110A, GLU110B, GLU90A, GLU90B, GLU92A, GLU92B, GLY91A, GLY91B, HIS111A, HIS111B, ILE115A, LEU113A, LEU113B, LEU86A, LEU86B, LEU88A, LEU88B, LEU93A, LEU93B, LYS108A, LYS108B, LYS109A, LYS109B, LYS243A, LYS243B, LYS74A, LYS74B, PHE107A, PHE107B, PHE78A, PHE78B, PRO84A, PRO84B, VAL76A, VAL76B, VAL82A, VAL82B
• A-C: ALA147A, ALA198A, ALA198C, ALA205A, ALA217C, ALA87C, ARG202A, ARG202C, ARG204A, ARG271C, ARG83C, ASN149A, ASN215C, ASP150A, ASP206A, ASP208A, ASP56C, ASP80A, ASP80C, GLN199A, GLN199C, GLN63C, GLU194A, GLU196A, GLU196C, GLU60C, GLU77C, GLU90C, GLU92C, GLY221C, GLY48C, GLY52C, GLY55C, ILE192A, ILE218C, LEU195A, LEU200A, LEU75C, LEU93C, LYS132A, LYS134A, LYS180A, LYS191A, LYS59C, LYS74C, MET222C, PHE78C, PRO151A, PRO201A, PRO201C, PRO84C, SER146A, SER203A, SER219C, SER220C, THR144A, THR49C, THR50C, THR79C, TYR216C, TYR81C, VAL193A, VAL207A, VAL46C, VAL51C, VAL76C, VAL82A, VAL82C
• A-D: ALA245D, ALA263A, ALA266A, ALA268A, ALA87D, ALA89D, ARG271A, ASN112D, ASP114D, ASP246D, ASP248D, ASP56A, ASP94D, GLN250D, GLN61A, GLN63A, GLU273A, GLU60A, GLU65A, GLU67A, GLU90D, GLU92D, GLY55A, GLY70A, GLY91D, HIS111D, HIS269A, ILE115D, ILE62A, LEU113D, LEU252D, LEU66A, LEU75A, LEU86D, LEU88D, LEU93D, LYS108D, LYS243D, LYS247D, LYS270A, LYS43D, LYS59A, LYS68A, PHE264A, PHE272A, PRO64A, SER249D, THR116D, THR244D, THR72A, TRP251D, TYR267A, VAL242D, VAL58A
• A-E: ALA181E, ALA184E, ALA198A, ALA205A, ALA217A, ARG202A, ARG204A, ARG271A, ARG83A, ASN186E, ASN189E, ASN215A, ASP141E, ASP171E, ASP182E, ASP53A, ASP56A, GLU185E, GLU226A, GLU77A, GLY142E, GLY221A, GLY52A, GLY55A, ILE167E, ILE183E, ILE190E, ILE192E, ILE218A, LEU169E, LEU187E, LEU75A, LYS140E, LYS168E, LYS170E, LYS180E, LYS188E, LYS191E, LYS223A, LYS59A, MET222A, PHE78A, PRO201A, SER219A, SER220A, THR50A, THR79A, TRP166E, TYR216A, VAL139E, VAL51A, VAL76A
• B-C: ALA245B, ALA87C, ALA89C, ASN112C, ASP114B, ASP114C, ASP246B, ASP248B, GLN250B, GLU90C, GLU92C, GLY91C, HIS111C, LEU113C, LEU86C, LEU88C, LYS243B, LYS243C, LYS247B, SER249B, THR244B
• B-F: ALA245F, ALA263B, ALA266B, ALA268B, ALA87F, ALA89F, ARG271B, ASN112F, ASP114F, ASP246F, ASP248F, ASP56B, ASP94F, GLN250F, GLN61B, GLN63B, GLU273B, GLU60B, GLU65B, GLU67B, GLU90F, GLU92F, GLY55B, GLY91F, HIS111F, ILE115F, ILE218B, ILE62B, LEU113F, LEU66B, LEU75B, LEU86F, LEU88F, LEU93F, LYS108F, LYS243F, LYS247F, LYS270B, LYS59B, LYS68B, PHE264B, PHE272B, PRO64B, SER249F, THR116F, THR244F, TRP251F, TYR267B, TYR275B, VAL58B
• C-E: ALA147C, ALA147E, ALA181C, ALA181E, ALA197C, ALA197E, ALA198C, ARG202C, ARG202E, ASN149C, ASN149E, ASN186C, ASN186E, ASN189C, ASN189E, ASP150E, ASP206C, ASP206E, GLN199C, GLN199E, GLU194C, GLU194E, GLU196C, GLU196E, GLY142E, HIS111C, HIS111E, ILE183E, ILE190C, ILE190E, ILE192C, ILE192E, LEU195C, LEU195E, LEU86C, LEU86E, LYS132C, LYS132E, LYS180C, LYS180E, LYS191C, LYS191E, PHE154C, PHE154E, PRO148C, PRO148E, SER146C, SER146E, SER203C, SER203E, THR144C, THR144E, VAL145C, VAL145E, VAL193C, VAL193E, VAL207C, VAL207E, VAL82C, VAL82E
• D-E: ALA197D, ALA198D, ALA205D, ALA227E, ALA87D, ARG202D, ARG204D, ARG83D, ASN149D, ASP106D, ASP150D, ASP162E, ASP206D, ASP80D, GLN199D, GLN230E, GLU110D, GLU137E, GLU138E, GLU163E, GLU194D, GLU196D, GLU226E, GLU231E, GLU273E, GLU77D, GLU90D, GLU92D, GLY127E, GLY165E, GLY221D, GLY274E, HIS111D, HIS269E, LEU128E, LEU136E, LEU164E, LEU187E, LEU195D, LEU200D, LEU224E, LEU228E, LEU86D, LYS132D, LYS134E, LYS168E, LYS188E, LYS223E, LYS276E, MET160E, PHE107D, PHE209E, PHE229E, PHE234E, PHE272E, PHE78D, PRO125E, PRO130E, PRO151D, PRO201D, PRO232E, PRO84D, SER135E, SER146D, SER152D, SER203D, SER220D, SER233E, THR225E, THR79D, TRP166E, TYR103D, TYR129E, TYR275E, TYR81D, VAL139E, VAL159E, VAL193D, VAL207D, VAL82D