3HR4

human inos reductase and calmodulin complex

• Total interactions analyzed: 28
• Total true interactions: 11
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 134
  • Norm. En. per Res.: -5.1762
• 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	-54.5132	-199.5707	-439.522	-693.6059	134	37	16	20306	11	56	31
A-C	-4.6579	-51.6151	-48.5278	-104.8008	45	4	0	2549	3	8	10
A-E	-8.6267	-19.9488	-70.3304	-98.9059	42	6	0	3066	3	29	19
A-F	0.0	-0.4878	-5.6426	-6.1304	20	0	0	363	0	14	7
C-D	-37.2055	-171.8722	-432.696	-641.7736	142	29	15	20209	9	51	28
C-G	0.0	-4.0479	-20.2994	-24.3473	27	1	0	1216	0	17	11
E-F	-31.8718	-140.2956	-453.158	-625.3255	137	25	13	20574	10	59	28
E-H	0.0	0.0	-0.0037	-0.0037	2	0	0	2	0	3	1
F-G	0.0	0.0	-0.0029	-0.0029	2	0	0	2	0	1	1
F-H	-21.0905	23.7574	-131.161	-128.4941	71	10	5	6486	0	28	28
G-H	-54.7283	-217.4281	-409.227	-681.3834	135	36	14	18852	12	52	26

Interface residues

• A-B: ALA10B, ALA128B, ALA147B, ALA15B, ALA46B, ALA521A, ALA525A, ALA559A, ALA564A, ALA73B, ALA88B, ARG126B, ARG37B, ARG511A, ARG530A, ARG536A, ARG687A, ARG74B, ARG86B, ARG90B, ASN42B, ASN53B, ASP50B, ASP78B, ASP80B, CYS526A, CYS563A, CYS681A, GLN143B, GLN41B, GLN49B, GLN693A, GLN8B, GLU114B, GLU11B, GLU120B, GLU123B, GLU127B, GLU140B, GLU14B, GLU45B, GLU47B, GLU512A, GLU54B, GLU67B, GLU7B, GLU82B, GLU83B, GLU84B, GLU87B, GLY40B, GLY558A, GLY688A, HIS691A, ILE100B, ILE125B, ILE27B, ILE513A, ILE52B, ILE63B, ILE692A, ILE694A, ILE85B, ILE9B, LEU105B, LEU112B, LEU116B, LEU18B, LEU32B, LEU39B, LEU48B, LEU4B, LEU515A, LEU518A, LEU523A, LEU528A, LEU560A, LEU69B, LYS115B, LYS13B, LYS21B, LYS516A, LYS520A, LYS531A, LYS689A, LYS75B, LYS94B, MET109B, MET124B, MET144B, MET145B, MET36B, MET51B, MET527A, MET529A, MET533A, MET71B, MET72B, MET76B, PHE12B, PHE141B, PHE16B, PHE19B, PHE524A, PHE561A, PHE565A, PHE677A, PHE68B, PHE89B, PHE92B, PRO43B, PRO514A, PRO695A, SER17B, SER535A, SER562A, SER81B, THR117B, THR146B, THR44B, THR532A, THR79B, VAL108B, VAL121B, VAL136B, VAL142B, VAL35B, VAL517A, VAL519A, VAL522A, VAL537A, VAL55B, VAL686A, VAL91B
• A-C: ALA636C, ARG633A, ARG633C, ASN595A, ASN595C, ASN601A, ASP597A, ASP597C, ASP640C, CYS598A, CYS598C, GLN643C, GLU546A, GLU603A, GLU603C, GLY548A, GLY594A, GLY594C, GLY596C, GLY600A, GLY602A, GLY602C, HIS639C, HIS647C, LEU605C, LEU609C, LYS604C, LYS606C, LYS607C, LYS644C, MET611C, MET630A, PHE593A, PHE610C, PHE637C, PRO599A, PRO632A, PRO632C, SER591A, SER608C, SER629A, THR545A, THR547A, THR592A, TYR631A
• A-E: ALA534E, ALA650A, ARG536E, ARG538E, ARG584A, ARG584E, ARG620A, ARG620E, ARG687E, ASN616A, ASN617A, ASP685A, ASP685E, CYS681E, GLN690E, GLU581A, GLU582A, GLU583A, GLU614A, GLU682A, GLU682E, GLY649A, GLY688E, LEU585A, LEU615A, LEU648A, LYS531E, LYS618A, LYS678E, LYS689E, MET533E, PHE619A, PHE684A, PHE684E, SER535A, SER535E, SER651A, THR532E, THR683A, THR683E, VAL537A, VAL686E
• A-F: ALA46F, ALA650A, ARG620A, ASN53F, ASN616A, ASP50F, GLN49F, GLU47F, GLU54F, GLU614A, GLY59F, GLY649A, HIS647A, LEU615A, LEU648A, LYS618A, LYS75F, MET51F, SER646A, SER651A
• C-D: ALA10D, ALA128D, ALA147D, ALA15D, ALA46D, ALA521C, ALA525C, ALA559C, ALA564C, ALA73D, ALA88D, ARG126D, ARG37D, ARG530C, ARG536C, ARG687C, ARG74D, ARG86D, ARG90D, ASN42D, ASN53D, ASP122D, ASP129D, ASP50D, ASP56D, ASP78D, ASP80D, ASP95D, CYS526C, CYS563C, CYS681C, GLN143D, GLN3D, GLN41D, GLN49D, GLN690C, GLN693C, GLN8D, GLU114D, GLU11D, GLU120D, GLU123D, GLU127D, GLU140D, GLU14D, GLU45D, GLU47D, GLU512C, GLU54D, GLU67D, GLU7D, GLU82D, GLU83D, GLU84D, GLU87D, GLY40D, GLY558C, GLY688C, GLY96D, HIS691C, ILE100D, ILE125D, ILE27D, ILE513C, ILE52D, ILE63D, ILE692C, ILE694C, ILE85D, ILE9D, LEU105D, LEU112D, LEU116D, LEU18D, LEU32D, LEU39D, LEU48D, LEU515C, LEU518C, LEU523C, LEU528C, LEU560C, LEU69D, LYS115D, LYS13D, LYS30D, LYS516C, LYS520C, LYS531C, LYS568C, LYS689C, LYS75D, LYS77D, LYS94D, MET109D, MET124D, MET144D, MET145D, MET36D, MET51D, MET527C, MET529C, MET533C, MET71D, MET72D, MET76D, PHE12D, PHE141D, PHE16D, PHE19D, PHE524C, PHE561C, PHE565C, PHE677C, PHE68D, PHE89D, PHE92D, PRO43D, PRO514C, PRO695C, SER17D, SER535C, SER562C, SER81D, THR146D, THR44D, THR532C, THR5D, THR70D, TRP555C, VAL108D, VAL121D, VAL136D, VAL142D, VAL35D, VAL517C, VAL519C, VAL522C, VAL537C, VAL55D, VAL686C, VAL91D
• C-G: ALA650G, ALA680C, ARG584C, ARG620C, ASN616G, ASN617C, ASN617G, ASP685C, GLU581G, GLU582G, GLU614G, GLU682C, GLY649G, HIS647G, LEU615G, LEU645G, LEU648G, LYS618C, LYS618G, LYS689C, PHE619C, PHE619G, PHE684C, SER646G, SER651G, THR683C, VAL537C
• E-F: ALA10F, ALA128F, ALA147F, ALA15F, ALA46F, ALA521E, ALA525E, ALA534E, ALA559E, ALA564E, ALA73F, ALA88F, ARG126F, ARG37F, ARG511E, ARG530E, ARG536E, ARG687E, ARG74F, ARG86F, ARG90F, ASN42F, ASN53F, ASP129F, ASP50F, ASP78F, ASP80F, CYS526E, CYS563E, CYS681E, GLN143F, GLN41F, GLN49F, GLN693E, GLN8F, GLU114F, GLU119F, GLU11F, GLU120F, GLU123F, GLU127F, GLU140F, GLU14F, GLU45F, GLU47F, GLU512E, GLU54F, GLU67F, GLU7F, GLU82F, GLU83F, GLU84F, GLU87F, GLY40F, GLY558E, GLY688E, HIS691E, ILE100F, ILE125F, ILE27F, ILE513E, ILE52F, ILE63F, ILE692E, ILE694E, ILE85F, ILE9F, LEU105F, LEU112F, LEU116F, LEU18F, LEU32F, LEU39F, LEU48F, LEU4F, LEU515E, LEU518E, LEU523E, LEU528E, LEU560E, LEU69F, LYS115F, LYS13F, LYS21F, LYS516E, LYS520E, LYS531E, LYS689E, LYS75F, LYS77F, MET109F, MET124F, MET144F, MET145F, MET36F, MET51F, MET527E, MET529E, MET533E, MET71F, MET72F, MET76F, PHE12F, PHE141F, PHE16F, PHE19F, PHE524E, PHE561E, PHE565E, PHE677E, PHE68F, PHE89F, PHE92F, PRO43F, PRO514E, PRO567E, PRO695E, SER17F, SER535E, SER562E, SER81F, THR117F, THR146F, THR44F, THR532E, THR5F, VAL108F, VAL121F, VAL136F, VAL142F, VAL35F, VAL517E, VAL519E, VAL522E, VAL55F, VAL686E, VAL91F
• E-H: GLU6H, VAL517E
• F-G: GLU6F, VAL517G
• F-H: ALA10F, ALA10H, ALA15F, ALA15H, ALA57F, ALA57H, ALA73F, ALA73H, ARG74F, ARG74H, ASN60F, ASN60H, ASP20F, ASP20H, ASP22F, ASP24F, ASP24H, ASP58F, ASP58H, ASP64F, ASP64H, GLN3F, GLN3H, GLN8F, GLN8H, GLU11F, GLU11H, GLU14F, GLU14H, GLU67F, GLU67H, GLU6F, GLU6H, GLU7F, GLU7H, GLY23F, GLY23H, GLY25F, GLY25H, ILE9F, ILE9H, LEU4F, LEU4H, LEU69F, LEU69H, LYS13F, LYS13H, LYS77F, LYS77H, MET71F, MET71H, MET72F, MET72H, PHE12F, PHE12H, PHE16F, PHE16H, PHE65F, PHE65H, PHE68F, PHE68H, PRO66F, PRO66H, SER17F, SER17H, THR26F, THR26H, THR5F, THR5H, THR70F, THR70H
• G-H: ALA10H, ALA128H, ALA147H, ALA15H, ALA46H, ALA521G, ALA525G, ALA559G, ALA564G, ALA73H, ALA88H, ARG126H, ARG37H, ARG530G, ARG536G, ARG687G, ARG74H, ARG86H, ARG90H, ASN42H, ASN53H, ASP122H, ASP129H, ASP50H, ASP56H, ASP78H, ASP80H, CYS526G, CYS563G, CYS681G, GLN143H, GLN41H, GLN49H, GLN693G, GLN8H, GLU104H, GLU114H, GLU11H, GLU120H, GLU123H, GLU127H, GLU140H, GLU14H, GLU45H, GLU47H, GLU512G, GLU54H, GLU67H, GLU7H, GLU82H, GLU83H, GLU84H, GLU87H, GLY40H, GLY688G, HIS691G, ILE100H, ILE125H, ILE27H, ILE513G, ILE52H, ILE63H, ILE692G, ILE694G, ILE85H, ILE9H, LEU105H, LEU112H, LEU116H, LEU18H, LEU32H, LEU39H, LEU48H, LEU4H, LEU515G, LEU518G, LEU523G, LEU528G, LEU560G, LEU69H, LYS115H, LYS13H, LYS516G, LYS520G, LYS531G, LYS689G, LYS75H, LYS77H, MET109H, MET124H, MET144H, MET145H, MET36H, MET51H, MET527G, MET529G, MET533G, MET71H, MET72H, MET76H, PHE12H, PHE141H, PHE16H, PHE19H, PHE524G, PHE561G, PHE565G, PHE677G, PHE68H, PHE89H, PHE92H, PRO43H, PRO514G, PRO695G, SER17H, SER38H, SER535G, SER562G, SER81H, THR146H, THR44H, THR532G, THR5H, THR79H, VAL108H, VAL121H, VAL136H, VAL142H, VAL35H, VAL517G, VAL519G, VAL522G, VAL55H, VAL686G, VAL91H