3H7X

a transition from strong right-handed to canonical left-handed supercoiling in a conserved coiled coil segment of trimeric autotransporter adhesins - the wildtype structure

• Total interactions analyzed: 15
• Total true interactions: 9
• Strongest Interaction:
  • Chains: D-E
  • Int. Res.: 103
  • Norm. En. per Res.: -4.6647
• 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	-9.7541	-106.5021	-265.099	-381.3551	104	21	12	10776	7	31	37
A-C	-4.5112	-57.9196	-244.834	-307.2648	103	32	9	10609	3	29	31
B-C	-13.3435	-122.8344	-254.187	-390.3648	100	35	11	10399	5	29	33
B-E	0.0	-7.7069	-7.3004	-15.0074	11	0	0	692	0	8	8
B-F	0.0	0.0	-0.1406	-0.1406	2	0	0	35	0	0	2
C-E	0.0	0.0	-0.0375	-0.0375	2	0	0	14	0	0	2
D-E	-41.8482	-177.972	-260.648	-480.4683	103	26	11	10590	11	29	34
D-F	-5.7972	-114.4415	-226.006	-346.2447	103	23	13	9714	7	30	32
E-F	-11.8583	-148.5639	-244.333	-404.7552	105	17	12	10157	8	30	38

Interface residues

• A-B: ALA308A, ALA308B, ALA323A, ALA323B, ARG325A, ARG325B, ARG341A, ARG341B, ARG348A, ARG348B, ASN309A, ASN309B, ASN318A, ASN318B, ASN328A, ASN328B, ASN340A, ASN340B, ASP313A, ASP313B, ASP332A, ASP332B, ASP339A, ASP339B, ASP343A, ASP343B, ASP346A, ASP346B, ASP350A, ASP350B, GLN329A, GLN329B, GLN337A, GLN337B, GLU326A, GLU326B, GLY352A, GLY352B, HIS303A, HIS303B, HIS333A, HIS333B, HIS336A, HIS336B, ILE324A, ILE324B, LEU305A, LEU305B, LEU338A, LEU338B, LEU342A, LEU342B, LEU345A, LEU345B, LEU353A, LEU353B, LYS306A, LYS306B, LYS321A, LYS321B, LYS322A, LYS322B, LYS334A, LYS334B, LYS344A, LYS344B, LYS351A, LYS351B, PHE335A, PHE335B, SER301A, SER302A, SER310A, SER310B, SER317A, SER317B, SER319A, SER319B, SER327A, SER327B, THR304A, THR304B, THR307A, THR307B, THR312A, THR312B, THR315A, THR315B, THR320A, THR320B, THR331A, THR331B, THR347A, THR347B, TYR311A, TYR311B, TYR330A, TYR330B, VAL314A, VAL314B, VAL316A, VAL316B, VAL349A, VAL349B
• A-C: ALA308A, ALA308C, ALA323A, ALA323C, ARG325A, ARG325C, ARG341A, ARG341C, ARG348A, ARG348C, ASN309A, ASN309C, ASN318A, ASN318C, ASN328A, ASN328C, ASN340A, ASN340C, ASP313A, ASP313C, ASP332A, ASP332C, ASP339A, ASP339C, ASP343A, ASP343C, ASP346A, ASP346C, ASP350C, GLN329A, GLN329C, GLN337A, GLN337C, GLU326A, GLU326C, GLY352A, GLY352C, HIS303A, HIS333A, HIS333C, HIS336A, HIS336C, ILE324A, ILE324C, LEU305A, LEU305C, LEU338A, LEU338C, LEU342A, LEU342C, LEU345A, LEU345C, LEU353A, LEU353C, LYS306A, LYS306C, LYS321A, LYS321C, LYS322A, LYS322C, LYS334A, LYS334C, LYS344A, LYS344C, LYS351A, LYS351C, PHE335A, PHE335C, SER301A, SER302A, SER310A, SER310C, SER317A, SER317C, SER319A, SER319C, SER327A, SER327C, SER355A, THR304A, THR304C, THR307A, THR307C, THR312A, THR312C, THR315A, THR315C, THR320A, THR320C, THR331A, THR331C, THR347A, THR347C, TYR311A, TYR311C, TYR330A, TYR330C, VAL314A, VAL314C, VAL316A, VAL316C, VAL349A, VAL349C
• B-C: ALA308B, ALA308C, ALA323B, ALA323C, ALA354C, ARG325B, ARG325C, ARG341B, ARG341C, ARG348B, ARG348C, ASN309B, ASN309C, ASN318B, ASN318C, ASN328B, ASN328C, ASN340B, ASN340C, ASP313B, ASP313C, ASP332B, ASP332C, ASP339B, ASP339C, ASP343B, ASP343C, ASP346B, ASP346C, ASP350B, GLN329B, GLN329C, GLN337B, GLN337C, GLU326B, GLU326C, GLY352B, GLY352C, HIS303B, HIS333B, HIS333C, HIS336B, HIS336C, ILE324B, ILE324C, LEU305B, LEU305C, LEU338B, LEU338C, LEU342B, LEU342C, LEU345B, LEU345C, LEU353B, LEU353C, LYS306B, LYS306C, LYS321B, LYS321C, LYS322B, LYS322C, LYS334B, LYS334C, LYS344B, LYS344C, LYS351B, LYS351C, PHE335B, PHE335C, SER310B, SER310C, SER317B, SER317C, SER319B, SER319C, SER327B, SER327C, THR304B, THR304C, THR307B, THR307C, THR312B, THR312C, THR315B, THR315C, THR320B, THR320C, THR331B, THR331C, THR347B, TYR311B, TYR311C, TYR330B, TYR330C, VAL314B, VAL314C, VAL316B, VAL316C, VAL349B, VAL349C
• B-E: ALA354E, ASP350B, ASP350E, GLY352B, LEU353B, LEU353E, LYS351B, LYS351E, THR347B, THR347E, VAL349B
• B-F: ARG348F, LYS351B
• C-E: ARG348C, LYS351E
• D-E: ALA308D, ALA308E, ALA323D, ALA323E, ALA354E, ARG325D, ARG325E, ARG341D, ARG341E, ARG348D, ARG348E, ASN309D, ASN309E, ASN318D, ASN318E, ASN328D, ASN328E, ASN340D, ASN340E, ASP313D, ASP313E, ASP332D, ASP332E, ASP339D, ASP339E, ASP343D, ASP343E, ASP346D, ASP346E, ASP350D, ASP350E, GLN329D, GLN329E, GLN337D, GLN337E, GLU326D, GLU326E, GLY352D, GLY352E, HIS303E, HIS333D, HIS333E, HIS336D, HIS336E, ILE324D, ILE324E, LEU305D, LEU305E, LEU338D, LEU338E, LEU342D, LEU342E, LEU345D, LEU345E, LEU353D, LEU353E, LYS306D, LYS306E, LYS321D, LYS321E, LYS322D, LYS322E, LYS334D, LYS334E, LYS344D, LYS344E, LYS351D, LYS351E, PHE335D, PHE335E, SER310D, SER310E, SER317D, SER317E, SER319D, SER319E, SER327D, SER327E, SER356D, THR304D, THR304E, THR307D, THR307E, THR312D, THR312E, THR315D, THR315E, THR320D, THR320E, THR331D, THR331E, THR347D, THR347E, TYR311D, TYR311E, TYR330D, TYR330E, VAL314D, VAL314E, VAL316D, VAL316E, VAL349D, VAL349E
• D-F: ALA308D, ALA308F, ALA323D, ALA323F, ALA354D, ARG325D, ARG325F, ARG341D, ARG341F, ARG348D, ARG348F, ASN309D, ASN309F, ASN318D, ASN318F, ASN328D, ASN328F, ASN340D, ASN340F, ASP313D, ASP313F, ASP332D, ASP332F, ASP339D, ASP339F, ASP343D, ASP343F, ASP346D, ASP346F, ASP350D, ASP350F, GLN329D, GLN329F, GLN337D, GLN337F, GLU326D, GLU326F, GLY352D, GLY352F, HIS303F, HIS333D, HIS333F, HIS336D, HIS336F, ILE324D, ILE324F, LEU305D, LEU305F, LEU338D, LEU338F, LEU342D, LEU342F, LEU345D, LEU345F, LEU353D, LEU353F, LYS306D, LYS306F, LYS321D, LYS321F, LYS322D, LYS322F, LYS334D, LYS334F, LYS344D, LYS344F, LYS351D, PHE335D, PHE335F, SER302F, SER310D, SER310F, SER317D, SER317F, SER319D, SER319F, SER327D, SER327F, SER355D, THR304D, THR304F, THR307D, THR307F, THR312D, THR312F, THR315D, THR315F, THR320D, THR320F, THR331D, THR331F, THR347D, THR347F, TYR311D, TYR311F, TYR330D, TYR330F, VAL314D, VAL314F, VAL316D, VAL316F, VAL349D, VAL349F
• E-F: ALA308E, ALA308F, ALA323E, ALA323F, ALA354E, ALA354F, ARG325E, ARG325F, ARG341E, ARG341F, ARG348E, ARG348F, ASN309E, ASN309F, ASN318F, ASN328E, ASN328F, ASN340E, ASN340F, ASP313E, ASP313F, ASP332E, ASP332F, ASP339E, ASP339F, ASP343E, ASP343F, ASP346E, ASP346F, ASP350E, ASP350F, GLN329E, GLN329F, GLN337E, GLN337F, GLU326E, GLU326F, GLY352E, GLY352F, HIS303E, HIS303F, HIS333E, HIS333F, HIS336E, HIS336F, ILE324E, ILE324F, LEU305E, LEU305F, LEU338E, LEU338F, LEU342E, LEU342F, LEU345E, LEU345F, LEU353E, LEU353F, LYS306E, LYS306F, LYS321E, LYS321F, LYS322E, LYS322F, LYS334E, LYS334F, LYS344E, LYS344F, LYS351E, LYS351F, PHE335E, PHE335F, SER302E, SER302F, SER310E, SER310F, SER317E, SER317F, SER319E, SER319F, SER327E, SER327F, THR304E, THR304F, THR307E, THR307F, THR312E, THR312F, THR315E, THR315F, THR320E, THR320F, THR331E, THR331F, THR347E, THR347F, TYR311E, TYR311F, TYR330E, TYR330F, VAL314E, VAL314F, VAL316E, VAL316F, VAL349E, VAL349F