3HLS

crystal structure of the signaling helix coiled-coil doimain of the beta-1 subunit of the soluble guanylyl cyclase

• Total interactions analyzed: 28
• Total true interactions: 17
• Strongest Interaction:
  • Chains: C-D
  • Int. Res.: 109
  • Norm. En. per Res.: -4.3728
• Hub Node: A(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	-43.8101	-20.946	-380.049	-444.805	110	9	14	14819	2	41	47
A-C	0.0	12.2041	-65.9652	-53.7611	53	3	0	3031	0	11	9
A-D	-69.99	-25.7425	-301.323	-397.0555	109	12	10	12588	3	40	38
A-F	0.0	0.0	-0.0579	-0.0579	5	0	0	18	0	4	5
A-G	0.0	-1.5705	-15.7743	-17.3448	25	0	0	1028	0	12	12
A-H	0.0	0.0	-0.0004	-0.0004	2	0	0	1	0	0	0
B-C	-49.7257	-22.3725	-285.699	-357.7972	110	10	11	12163	3	40	38
B-D	0.0	14.0394	-43.3011	-29.2617	50	2	0	2532	0	10	9
B-G	0.0	0.0	-0.0003	-0.0003	2	0	0	1	0	1	1
C-D	-41.8572	-44.6573	-390.121	-476.6355	109	9	15	15122	6	43	45
D-F	0.0	0.0	-0.3312	-0.3312	11	0	0	125	0	8	4
E-F	-33.4574	-16.098	-347.79	-397.3454	103	9	15	14052	3	43	47
E-G	-11.1977	12.4175	-69.8438	-68.6241	47	3	0	3081	0	9	11
E-H	-35.7009	-9.6684	-233.944	-279.3133	111	5	9	11117	2	37	37
F-G	-46.0998	3.6517	-244.355	-286.8032	108	8	5	11060	2	42	39
F-H	0.0	14.6419	-37.8315	-23.1896	43	1	0	2103	0	9	11
G-H	-33.3755	-32.0071	-394.112	-459.4946	111	13	16	15103	5	43	44

Interface residues

• A-B: ALA348A, ALA348B, ALA382A, ALA382B, ALA403A, ARG350A, ARG350B, ARG360A, ARG360B, ARG375A, ARG375B, ARG381A, ARG381B, ASP351A, ASP351B, ASP374A, ASP374B, ASP385A, ASP385B, ASP391A, ASP391B, GLN358A, GLN358B, GLN367A, GLN367B, GLN377A, GLN377B, GLU357A, GLU357B, GLU361A, GLU361B, GLU362A, GLU362B, GLU368A, GLU368B, GLU370A, GLU370B, GLU384A, GLU384B, GLU386A, GLU386B, GLY344A, GLY356A, GLY356B, HIS346A, HIS346B, LEU352A, LEU352B, LEU354A, LEU354B, LEU355A, LEU355B, LEU365A, LEU365B, LEU369A, LEU369B, LEU372A, LEU372B, LEU376A, LEU376B, LEU378A, LEU378B, LEU380A, LEU380B, LEU383A, LEU383B, LEU393A, LEU393B, LEU394A, LEU394B, LEU398A, LEU398B, LYS364A, LYS364B, LYS387A, LYS387B, LYS388A, LYS388B, LYS389A, LYS389B, PHE359A, PHE359B, PRO399A, PRO399B, PRO400A, PRO400B, SER345A, SER396A, SER396B, SER401A, THR366A, THR366B, THR373A, THR373B, THR379A, THR379B, THR390A, THR390B, THR392A, THR392B, TYR363A, TYR363B, TYR395A, TYR395B, VAL353A, VAL353B, VAL397A, VAL397B, VAL402A, VAL402B
• A-C: ALA348A, ALA348C, ARG350A, ARG350C, ASP351A, ASP351C, GLN358A, GLN358C, GLN377A, GLU362A, GLU362C, GLU370A, GLU370C, GLU386A, GLU386C, GLY344A, GLY356C, HIS346A, HIS346C, LEU352A, LEU352C, LEU355A, LEU355C, LEU369A, LEU369C, LEU372C, LEU376A, LEU376C, LEU380A, LEU380C, LEU383A, LEU383C, LEU394A, LEU394C, LYS387A, LYS387C, PHE359A, PHE359C, SER345A, SER345C, THR349A, THR349C, THR366A, THR366C, THR373A, THR373C, THR379A, THR390A, THR390C, TYR363A, TYR363C, VAL353A, VAL353C
• A-D: ALA348D, ALA403A, ALA403D, ARG350D, ARG360A, ARG360D, ARG375A, ARG375D, ARG381A, ARG381D, ARG407A, ARG407D, ASP351A, ASP351D, ASP374A, ASP374D, ASP385A, ASP385D, ASP391A, ASP391D, GLN358A, GLN358D, GLN367A, GLN367D, GLN377A, GLN377D, GLU357A, GLU357D, GLU361A, GLU361D, GLU362A, GLU362D, GLU368A, GLU368D, GLU370A, GLU370D, GLU384A, GLU384D, GLU386A, GLU386D, GLU405A, GLU405D, GLY356A, GLY356D, HIS346D, LEU352A, LEU352D, LEU354A, LEU354D, LEU355A, LEU355D, LEU365A, LEU365D, LEU369A, LEU369D, LEU372A, LEU372D, LEU376A, LEU376D, LEU378A, LEU378D, LEU380A, LEU380D, LEU383A, LEU383D, LEU393A, LEU393D, LEU394A, LEU394D, LEU398A, LEU398D, LEU406A, LEU406D, LYS364A, LYS364D, LYS387A, LYS387D, LYS388A, LYS388D, LYS389A, LYS389D, PHE359A, PHE359D, PRO399A, PRO399D, SER345D, SER396A, SER401A, THR349A, THR349D, THR366A, THR366D, THR373A, THR373D, THR379A, THR379D, THR390A, THR390D, THR392A, THR392D, TYR363A, TYR363D, TYR395A, TYR395D, VAL353A, VAL353D, VAL397A, VAL402A, VAL402D
• A-F: ARG381A, ARG381F, ASP374F, GLN377A, LEU378F
• A-G: ALA403A, ARG381A, ARG381G, ARG407A, ARG407G, ASN404A, ASP385G, GLU384G, GLU386G, GLU405A, HIS408A, LEU393G, LEU398A, LYS388A, LYS388G, LYS389G, PRO399A, PRO400A, SER396A, SER396G, SER401A, THR392A, THR392G, TYR395A, TYR395G
• A-H: ASN404A, GLN358H
• B-C: ALA348C, ALA403B, ALA403C, ARG350B, ARG350C, ARG360B, ARG360C, ARG375B, ARG375C, ARG381B, ARG381C, ARG407B, ARG407C, ASP351B, ASP351C, ASP374B, ASP374C, ASP385B, ASP385C, ASP391B, ASP391C, GLN358B, GLN358C, GLN367B, GLN367C, GLN377B, GLN377C, GLU357B, GLU357C, GLU361B, GLU361C, GLU362B, GLU362C, GLU368B, GLU368C, GLU370B, GLU370C, GLU384B, GLU384C, GLU386B, GLU386C, GLU405B, GLU405C, GLY356B, GLY356C, HIS346C, LEU352B, LEU352C, LEU354B, LEU354C, LEU355B, LEU355C, LEU365B, LEU365C, LEU369B, LEU369C, LEU372B, LEU372C, LEU376B, LEU376C, LEU378B, LEU378C, LEU380B, LEU380C, LEU383B, LEU383C, LEU393B, LEU393C, LEU394B, LEU394C, LEU398B, LEU398C, LEU406B, LEU406C, LYS364B, LYS364C, LYS387B, LYS387C, LYS388B, LYS388C, LYS389B, LYS389C, PHE359B, PHE359C, PRO399B, PRO399C, SER345C, SER396B, SER401B, THR349B, THR349C, THR366B, THR366C, THR373B, THR373C, THR379B, THR379C, THR390B, THR390C, THR392B, THR392C, TYR363B, TYR363C, TYR395B, TYR395C, VAL353B, VAL353C, VAL397B, VAL402B, VAL402C
• B-D: ALA348B, ALA348D, ARG350B, ARG360D, ASP351B, GLN358B, GLN358D, GLN377B, GLN377D, GLU362B, GLU362D, GLU370B, GLU370D, GLU386B, GLU386D, GLY356D, HIS346B, HIS346D, LEU352B, LEU352D, LEU355B, LEU355D, LEU369B, LEU369D, LEU376B, LEU376D, LEU380B, LEU380D, LEU383B, LEU383D, LEU394B, LEU394D, LYS387B, LYS387D, PHE359B, PHE359D, SER345D, THR349B, THR349D, THR366B, THR366D, THR373B, THR373D, THR379B, THR379D, THR390B, THR390D, TYR363B, TYR363D, VAL353B
• B-G: HIS346B, LYS388G
• C-D: ALA348C, ALA348D, ALA382C, ALA382D, ARG350C, ARG350D, ARG360C, ARG360D, ARG375C, ARG375D, ARG381C, ARG381D, ASP351C, ASP351D, ASP374C, ASP374D, ASP385C, ASP385D, ASP391C, ASP391D, GLN358C, GLN358D, GLN367C, GLN367D, GLN377C, GLN377D, GLU357C, GLU357D, GLU361C, GLU361D, GLU362C, GLU362D, GLU368C, GLU368D, GLU370C, GLU370D, GLU384C, GLU384D, GLU386C, GLU386D, GLU405C, GLU405D, GLY356C, GLY356D, HIS346C, HIS346D, LEU352C, LEU352D, LEU354C, LEU354D, LEU355C, LEU355D, LEU365C, LEU365D, LEU369C, LEU369D, LEU372C, LEU372D, LEU376C, LEU376D, LEU378C, LEU378D, LEU380C, LEU380D, LEU383C, LEU383D, LEU393C, LEU393D, LEU394C, LEU394D, LEU398C, LEU398D, LEU406C, LEU406D, LYS364C, LYS364D, LYS387C, LYS387D, LYS388C, LYS388D, LYS389C, LYS389D, PHE359C, PHE359D, PRO399C, PRO399D, SER345C, SER396C, SER396D, THR366C, THR366D, THR373C, THR373D, THR379C, THR379D, THR390C, THR390D, THR392C, THR392D, TYR363C, TYR363D, TYR395C, TYR395D, VAL353C, VAL353D, VAL397C, VAL397D, VAL402C, VAL402D
• D-F: ARG381D, ARG381F, ASN404F, ASP374D, GLN377D, LYS388D, LYS388F, LYS389D, PRO400F, THR392D, THR392F
• E-F: ALA348E, ALA348F, ALA382E, ALA382F, ARG350E, ARG350F, ARG360E, ARG360F, ARG375E, ARG375F, ARG381E, ARG381F, ASP351E, ASP351F, ASP374E, ASP374F, ASP385E, ASP385F, ASP391E, ASP391F, GLN358E, GLN358F, GLN367E, GLN367F, GLN377E, GLN377F, GLU357E, GLU357F, GLU361E, GLU361F, GLU362E, GLU362F, GLU368E, GLU368F, GLU370E, GLU370F, GLU384E, GLU384F, GLU386E, GLU386F, GLY344E, GLY356E, GLY356F, HIS346E, LEU352E, LEU352F, LEU354E, LEU354F, LEU355E, LEU355F, LEU365E, LEU365F, LEU369E, LEU369F, LEU372E, LEU372F, LEU376E, LEU376F, LEU378E, LEU378F, LEU380E, LEU380F, LEU383E, LEU383F, LEU393E, LEU393F, LEU394E, LEU394F, LEU398F, LEU406F, LYS364E, LYS364F, LYS387E, LYS387F, LYS388E, LYS388F, LYS389E, LYS389F, PHE359E, PHE359F, PRO399F, SER345E, SER396E, SER396F, THR366E, THR366F, THR373E, THR373F, THR379E, THR379F, THR390E, THR390F, THR392E, THR392F, TYR363E, TYR363F, TYR395E, TYR395F, VAL353E, VAL353F, VAL397E, VAL397F, VAL402F
• E-G: ALA348E, ALA348G, ARG350E, ARG350G, ASP351E, ASP351G, GLN358E, GLN358G, GLU362E, GLU362G, GLU370G, GLU386E, GLU386G, GLY344E, HIS346E, HIS346G, LEU352E, LEU352G, LEU355E, LEU355G, LEU369E, LEU369G, LEU376E, LEU376G, LEU380E, LEU380G, LEU383E, LEU383G, LEU394E, LEU394G, LYS387E, LYS387G, PHE359E, PHE359G, SER345E, SER345G, THR349E, THR349G, THR366E, THR366G, THR373E, THR373G, THR379E, THR379G, THR390E, THR390G, VAL353G
• E-H: ALA348E, ALA348H, ALA403E, ALA403H, ARG350E, ARG350H, ARG360E, ARG360H, ARG375E, ARG375H, ARG381E, ARG381H, ARG407E, ARG407H, ASP351E, ASP351H, ASP374E, ASP374H, ASP385E, ASP385H, ASP391E, ASP391H, GLN358E, GLN358H, GLN367E, GLN367H, GLN377E, GLN377H, GLU357E, GLU357H, GLU361E, GLU361H, GLU362E, GLU362H, GLU368E, GLU368H, GLU370E, GLU370H, GLU384E, GLU384H, GLU386E, GLU405H, GLY356E, GLY356H, HIS346E, HIS346H, LEU352E, LEU352H, LEU354E, LEU354H, LEU355E, LEU355H, LEU365E, LEU365H, LEU369E, LEU369H, LEU372E, LEU372H, LEU376E, LEU376H, LEU378E, LEU378H, LEU380E, LEU380H, LEU383E, LEU383H, LEU393E, LEU393H, LEU394E, LEU394H, LEU398E, LEU398H, LEU406E, LEU406H, LYS364E, LYS364H, LYS387E, LYS387H, LYS388E, LYS388H, LYS389E, LYS389H, PHE359E, PHE359H, PRO399E, PRO399H, SER345E, SER345H, SER396E, THR349E, THR349H, THR366E, THR366H, THR373E, THR373H, THR379E, THR379H, THR390E, THR390H, THR392E, THR392H, TYR363E, TYR363H, TYR395E, TYR395H, VAL353E, VAL353H, VAL397E, VAL397H, VAL402E, VAL402H
• F-G: ALA348G, ALA403F, ALA403G, ARG350F, ARG350G, ARG360F, ARG360G, ARG375F, ARG375G, ARG381F, ARG381G, ARG407F, ARG407G, ASP351F, ASP351G, ASP374F, ASP374G, ASP385G, ASP391F, ASP391G, GLN358F, GLN358G, GLN367F, GLN367G, GLN377F, GLN377G, GLU357F, GLU357G, GLU361F, GLU361G, GLU362F, GLU362G, GLU368F, GLU368G, GLU370F, GLU370G, GLU384F, GLU384G, GLU386G, GLU405G, GLY356F, GLY356G, HIS346G, HIS408F, LEU352F, LEU352G, LEU354F, LEU354G, LEU355F, LEU355G, LEU365F, LEU365G, LEU369F, LEU369G, LEU372F, LEU372G, LEU376F, LEU376G, LEU378F, LEU378G, LEU380F, LEU380G, LEU383F, LEU383G, LEU393F, LEU393G, LEU394F, LEU394G, LEU398F, LEU398G, LEU406F, LEU406G, LYS364F, LYS364G, LYS387F, LYS387G, LYS388F, LYS388G, LYS389F, LYS389G, PHE359F, PHE359G, PRO399F, PRO399G, SER345G, SER396F, THR349F, THR349G, THR366F, THR366G, THR373F, THR373G, THR379F, THR379G, THR390F, THR390G, THR392F, THR392G, TYR363F, TYR363G, TYR395F, TYR395G, VAL353F, VAL353G, VAL397F, VAL397G, VAL402F, VAL402G
• F-H: ALA348F, ARG350F, ASP351F, GLN358F, GLN358H, GLN377H, GLU362F, GLU362H, GLU370F, GLU370H, GLU386F, GLU386H, HIS346H, LEU352F, LEU352H, LEU355F, LEU355H, LEU369F, LEU369H, LEU376F, LEU376H, LEU380F, LEU380H, LEU383F, LEU383H, LEU394F, LEU394H, LYS387F, LYS387H, PHE359F, PHE359H, SER345H, THR349F, THR366F, THR366H, THR373F, THR373H, THR379H, THR390F, THR390H, TYR363F, TYR363H, VAL353F
• G-H: ALA348G, ALA348H, ALA382G, ALA382H, ALA403H, ARG350G, ARG350H, ARG360G, ARG360H, ARG375G, ARG375H, ARG381G, ARG381H, ASP351G, ASP351H, ASP374G, ASP374H, ASP385G, ASP385H, ASP391G, ASP391H, GLN358G, GLN358H, GLN367G, GLN367H, GLN377G, GLN377H, GLU357G, GLU357H, GLU361G, GLU361H, GLU362G, GLU362H, GLU368G, GLU368H, GLU370G, GLU370H, GLU384G, GLU384H, GLU386G, GLU386H, GLU405G, GLU405H, GLY356G, GLY356H, HIS346G, HIS346H, LEU352G, LEU352H, LEU354G, LEU354H, LEU355G, LEU355H, LEU365G, LEU365H, LEU369G, LEU369H, LEU372G, LEU372H, LEU376G, LEU376H, LEU378G, LEU378H, LEU380G, LEU380H, LEU383G, LEU383H, LEU393G, LEU393H, LEU394G, LEU394H, LEU398G, LEU398H, LEU406G, LEU406H, LYS364G, LYS364H, LYS387G, LYS387H, LYS388G, LYS388H, LYS389G, LYS389H, PHE359G, PHE359H, PRO399G, PRO399H, SER345G, SER396G, SER396H, SER401H, THR366G, THR366H, THR373G, THR373H, THR379G, THR379H, THR390G, THR390H, THR392G, THR392H, TYR363G, TYR363H, TYR395G, TYR395H, VAL353G, VAL353H, VAL397G, VAL397H, VAL402G, VAL402H