1BR4

smooth muscle myosin motor domain-essential light chain complex with mgadp.bef3 bound at the active site

• Total interactions analyzed: 28
• Total true interactions: 7
• Strongest Interaction:
  • Chains: G-H
  • Int. Res.: 148
  • Norm. En. per Res.: -3.0485
• Hub Node: A(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	-16.902	-2.4206	-445.182	-464.5047	153	52	13	20622	4	60	57
A-G	0.0	5.9335	22.7454	28.6789	35	33	1	3562	0	5	9
A-H	-10.5025	-34.6187	-58.2226	-103.3439	60	9	1	3023	2	11	15
B-H	0.0	0.0	-0.0355	-0.0355	2	0	0	4	0	1	4
C-D	-20.1805	-2.0352	-434.519	-456.7347	152	50	13	20258	4	58	57
E-F	-17.2944	-4.7571	-438.347	-460.3984	152	49	13	20430	4	60	57
G-H	-26.2997	-1.167	-423.715	-451.1817	148	41	13	19765	4	60	57

Interface residues

• A-B: ALA106B, ALA129B, ALA14B, ALA37B, ALA458A, ALA45B, ALA798A, ALA801A, ALA808A, ALA811A, ALA813A, ARG109B, ARG145B, ARG146A, ARG162A, ARG168A, ARG20B, ARG36B, ARG731A, ARG733A, ARG788A, ARG804A, ARG809A, ARG815A, ARG93B, ASN100B, ASN135B, ASN41B, ASN44B, ASP133B, ASP158A, ASP167A, ASP19B, ASP257A, ASP33B, ASP789A, ASP794A, ASP81B, ASP87B, ASP96B, CYS137B, CYS803A, CYS84B, GLN126B, GLN166A, GLN30B, GLN40B, GLN728A, GLN732A, GLN800A, GLN802A, GLN816A, GLN817A, GLN82B, GLU107B, GLU117B, GLU121B, GLU122B, GLU123B, GLU125B, GLU132B, GLU13B, GLU148A, GLU46B, GLU729A, GLU735A, GLU785A, GLU86B, GLU90B, GLU98B, GLY101B, GLY105B, GLY116B, GLY136B, GLY143A, GLY150B, GLY260A, GLY32B, GLY39B, GLY805A, GLY83B, GLY91B, GLY99B, HIS110B, HIS131B, ILE108B, ILE138B, ILE736A, ILE792A, ILE796A, ILE797A, LEU112B, LEU115B, LEU127B, LEU143B, LEU148B, LEU165A, LEU17B, LEU38B, LEU737A, LEU790A, LEU807A, LEU819A, LEU92B, LYS118B, LYS142A, LYS144A, LYS145A, LYS791A, LYS810A, LYS97B, MET104B, MET119B, MET146B, MET35B, PHE15B, PHE18B, PHE215A, PHE799A, PHE812A, PHE85B, PHE95B, PRO42B, SER134B, SER149B, SER200A, THR102B, THR114B, THR120B, THR259A, THR43B, THR793A, TYR140B, TYR141A, TYR161A, TYR261A, TYR734A, TYR806A, TYR88B, VAL103B, VAL111B, VAL113B, VAL124B, VAL128B, VAL144B, VAL147B, VAL258A, VAL34B, VAL47B, VAL726A, VAL795A, VAL89B, VAL94B
• A-G: ALA741A, ALA752A, ALA808G, ALA811G, ALA813G, ARG731A, ARG809G, ARG815G, ASP748A, GLN751A, GLN771A, GLN802G, GLN816G, GLN817G, GLN818G, GLY745A, GLY805G, GLY820G, ILE742A, ILE754A, ILE769A, LEU755A, LEU819G, LYS744A, LYS750A, LYS758A, LYS810G, LYS814G, MET747A, PHE727A, PHE746A, PHE812G, PRO743A, SER821G, TYR806G
• A-H: ALA14H, ALA37H, ALA9H, ARG145H, ARG36H, ARG768A, ASN41H, ASN513A, ASN765A, ASP748A, CYS84H, GLN40H, GLN506A, GLN728A, GLN751A, GLN771A, GLN7H, GLN82H, GLU10H, GLU13H, GLU141H, GLU142H, GLU511A, GLU6H, GLU86H, GLY150H, GLY39H, GLY509A, GLY745A, GLY749A, GLY770A, ILE510A, ILE754A, ILE757A, ILE769A, ILE774A, LEU148H, LEU17H, LEU38H, LEU755A, LYS744A, LYS750A, LYS758A, MET146H, MET747A, PHE11H, PHE15H, PHE18H, PHE721A, PHE727A, PHE746A, PHE85H, PRO743A, PRO764A, SER149H, TRP512A, TYR767A, VAL147H, VAL34H, VAL89H
• B-H: GLU6H, GLU98B
• C-D: ALA106D, ALA129D, ALA14D, ALA37D, ALA458C, ALA45D, ALA798C, ALA801C, ALA808C, ALA811C, ALA813C, ARG109D, ARG145D, ARG146C, ARG162C, ARG168C, ARG20D, ARG36D, ARG731C, ARG733C, ARG788C, ARG804C, ARG809C, ARG815C, ARG93D, ASN100D, ASN135D, ASN41D, ASN44D, ASP133D, ASP158C, ASP167C, ASP19D, ASP257C, ASP33D, ASP789C, ASP794C, ASP81D, ASP87D, ASP96D, CYS137D, CYS803C, CYS84D, GLN126D, GLN166C, GLN30D, GLN40D, GLN728C, GLN732C, GLN800C, GLN802C, GLN816C, GLN82D, GLU107D, GLU117D, GLU121D, GLU122D, GLU123D, GLU125D, GLU132D, GLU13D, GLU148C, GLU46D, GLU729C, GLU735C, GLU785C, GLU86D, GLU90D, GLU98D, GLY101D, GLY105D, GLY116D, GLY136D, GLY143C, GLY150D, GLY260C, GLY32D, GLY39D, GLY805C, GLY83D, GLY91D, GLY99D, HIS110D, HIS131D, ILE108D, ILE138D, ILE736C, ILE792C, ILE796C, ILE797C, LEU112D, LEU115D, LEU127D, LEU143D, LEU148D, LEU165C, LEU17D, LEU38D, LEU737C, LEU790C, LEU807C, LEU819C, LEU92D, LYS118D, LYS142C, LYS144C, LYS145C, LYS791C, LYS810C, LYS97D, MET104D, MET119D, MET146D, MET35D, PHE15D, PHE18D, PHE215C, PHE799C, PHE812C, PHE85D, PHE95D, PRO42D, SER134D, SER149D, SER200C, THR102D, THR114D, THR120D, THR259C, THR43D, THR793C, TYR140D, TYR141C, TYR161C, TYR261C, TYR734C, TYR806C, TYR88D, VAL103D, VAL111D, VAL113D, VAL124D, VAL128D, VAL144D, VAL147D, VAL258C, VAL34D, VAL47D, VAL726C, VAL795C, VAL89D, VAL94D
• E-F: ALA106F, ALA129F, ALA14F, ALA37F, ALA458E, ALA45F, ALA798E, ALA801E, ALA808E, ALA811E, ALA813E, ARG109F, ARG145F, ARG146E, ARG162E, ARG168E, ARG20F, ARG36F, ARG731E, ARG733E, ARG788E, ARG804E, ARG809E, ARG815E, ARG93F, ASN100F, ASN135F, ASN41F, ASN44F, ASP133F, ASP158E, ASP167E, ASP19F, ASP257E, ASP33F, ASP789E, ASP794E, ASP81F, ASP87F, ASP96F, CYS137F, CYS803E, CYS84F, GLN126F, GLN166E, GLN30F, GLN40F, GLN728E, GLN732E, GLN800E, GLN802E, GLN816E, GLN82F, GLU107F, GLU117F, GLU121F, GLU122F, GLU123F, GLU125F, GLU132F, GLU13F, GLU148E, GLU46F, GLU729E, GLU735E, GLU785E, GLU86F, GLU90F, GLU98F, GLY101F, GLY105F, GLY116F, GLY136F, GLY143E, GLY150F, GLY260E, GLY32F, GLY39F, GLY805E, GLY83F, GLY91F, GLY99F, HIS110F, HIS131F, ILE108F, ILE138F, ILE736E, ILE792E, ILE796E, ILE797E, LEU112F, LEU115F, LEU127F, LEU143F, LEU148F, LEU165E, LEU17F, LEU38F, LEU737E, LEU790E, LEU807E, LEU819E, LEU92F, LYS118F, LYS142E, LYS144E, LYS145E, LYS791E, LYS810E, LYS97F, MET104F, MET119F, MET146F, MET35F, PHE15F, PHE18F, PHE215E, PHE799E, PHE812E, PHE85F, PHE95F, PRO42F, SER134F, SER149F, SER200E, THR102F, THR114F, THR120F, THR259E, THR43F, THR793E, TYR140F, TYR141E, TYR161E, TYR261E, TYR734E, TYR806E, TYR88F, VAL103F, VAL111F, VAL113F, VAL124F, VAL128F, VAL144F, VAL147F, VAL258E, VAL34F, VAL47F, VAL726E, VAL795E, VAL89F, VAL94F
• G-H: ALA106H, ALA129H, ALA14H, ALA37H, ALA458G, ALA45H, ALA798G, ALA801G, ALA808G, ALA811G, ALA813G, ARG109H, ARG145H, ARG146G, ARG162G, ARG168G, ARG36H, ARG731G, ARG733G, ARG788G, ARG804G, ARG809G, ARG815G, ARG93H, ASN100H, ASN135H, ASN41H, ASN44H, ASP133H, ASP158G, ASP167G, ASP257G, ASP33H, ASP789G, ASP794G, ASP81H, ASP87H, ASP96H, CYS137H, CYS803G, CYS84H, GLN126H, GLN166G, GLN40H, GLN728G, GLN732G, GLN800G, GLN802G, GLN816G, GLN82H, GLU107H, GLU117H, GLU121H, GLU122H, GLU123H, GLU125H, GLU132H, GLU13H, GLU148G, GLU46H, GLU729G, GLU735G, GLU785G, GLU86H, GLU90H, GLU98H, GLY101H, GLY105H, GLY116H, GLY136H, GLY143G, GLY150H, GLY260G, GLY32H, GLY39H, GLY805G, GLY83H, GLY91H, GLY99H, HIS110H, HIS131H, ILE108H, ILE138H, ILE736G, ILE792G, ILE796G, ILE797G, LEU112H, LEU115H, LEU127H, LEU143H, LEU148H, LEU165G, LEU17H, LEU38H, LEU737G, LEU790G, LEU807G, LEU819G, LEU92H, LYS118H, LYS142G, LYS144G, LYS145G, LYS791G, LYS810G, LYS97H, MET104H, MET119H, MET146H, MET35H, PHE18H, PHE215G, PHE799G, PHE812G, PHE85H, PHE95H, PRO42H, SER134H, SER149H, SER200G, THR102H, THR114H, THR120H, THR259G, THR43H, THR793G, TYR140H, TYR141G, TYR161G, TYR261G, TYR734G, TYR806G, TYR88H, VAL103H, VAL111H, VAL113H, VAL124H, VAL128H, VAL144H, VAL147H, VAL258G, VAL34H, VAL47H, VAL726G, VAL795G, VAL89H, VAL94H