3J04

em structure of the heavy meromyosin subfragment of chick smooth muscle myosin with regulatory light chain in phosphorylated state

• Total interactions analyzed: 15
• Total true interactions: 8
• Strongest Interaction:
  • Chains: D-E
  • Int. Res.: 141
  • Norm. En. per Res.: -4.6711
• 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	-116.2283	-164.2758	-349.44	-629.9441	139	28	14	16418	13	38	33
A-C	-20.4428	-46.4183	-238.658	-305.5191	117	34	9	13369	3	36	26
A-D	-10.6446	-18.0647	-170.383	-199.0923	87	9	9	8211	2	54	60
B-C	0.0	0.0	-1.7641	-1.7641	8	0	0	219	0	4	3
B-E	0.0	0.0	-0.7113	-0.7113	7	0	0	101	0	1	1
D-E	-120.2905	-161.3662	-376.968	-658.6247	141	38	10	16659	15	39	27
D-F	-60.7002	-71.0405	-358.951	-490.6917	142	18	6	15308	5	52	35
E-F	0.0	-12.082	-23.7433	-35.8253	14	0	0	927	0	4	8

Interface residues

• A-B: ALA105B, ALA107B, ALA145B, ALA166B, ALA36B, ALA76B, ALA821A, ALA830A, ALA831A, ARG103B, ARG123B, ARG132B, ARG143B, ARG160B, ARG815A, ARG827A, ARG836A, ARG842A, ARG855A, ASN104B, ASN38B, ASN63B, ASN81B, ASN828A, ASN837A, ASN94B, ASP100B, ASP110B, ASP131B, ASP139B, ASP41B, ASP97B, CYS108B, CYS829A, GLN27B, GLN29B, GLN31B, GLN816A, GLN817A, GLN818A, GLN826A, GLN839A, GLN852A, GLU111B, GLU124B, GLU136B, GLU137B, GLU140B, GLU144B, GLU32B, GLU35B, GLU67B, GLU75B, GLU858A, GLU99B, GLY130B, GLY165B, GLY61B, GLY71B, GLY90B, GLY95B, HIS164B, ILE102B, ILE117B, ILE161B, ILE40B, ILE48B, ILE80B, ILE825A, LEU122B, LEU125B, LEU126B, LEU162B, LEU53B, LEU57B, LEU69B, LEU819A, LEU833A, LEU835A, LEU843A, LEU850A, LEU851A, LEU86B, LEU93B, LYS163B, LYS167B, LYS34B, LYS62B, LYS814A, LYS823A, LYS834A, LYS846A, LYS848A, LYS92B, MET129B, MET141B, MET39B, MET56B, MET60B, MET72B, MET73B, MET822A, MET84B, MET88B, PHE106B, PHE109B, PHE133B, PHE153B, PHE158B, PHE33B, PHE37B, PHE844A, PHE85B, PHE89B, PRO146B, PRO64B, PRO849A, PRO98B, SER28B, SER59B, THR127B, THR128B, THR134B, THR159B, THR65B, THR820A, THR845A, THR854A, THR96B, TRP838A, TRP840A, TRP841A, TYR155B, TYR68B, TYR832A, VAL101B, VAL138B, VAL824A, VAL847A
• A-C: ALA14C, ALA37C, ALA45C, ALA738A, ALA739A, ALA798A, ALA801A, ALA808A, ALA811A, ALA813A, ALA821A, ARG145C, ARG20C, ARG36C, ARG731A, ARG733A, ARG788A, ARG804A, ARG809A, ARG815A, ARG93C, ASN41C, ASN44C, ASN740A, ASN79C, ASP19C, ASP33C, ASP794A, ASP81C, ASP87C, ASP96C, CYS803A, CYS84C, GLN126C, GLN16C, GLN40C, GLN732A, GLN800A, GLN802A, GLN816A, GLN817A, GLN818A, GLN82C, GLU10C, GLU117C, GLU122C, GLU123C, GLU125C, GLU13C, GLU46C, GLU735A, GLU86C, GLU90C, GLU98C, GLY116C, GLY150C, GLY32C, GLY39C, GLY805A, GLY83C, GLY91C, GLY99C, HIS131C, ILE108C, ILE736A, ILE792A, ILE796A, ILE797A, LEU112C, LEU115C, LEU127C, LEU143C, LEU148C, LEU17C, LEU38C, LEU737A, LEU807A, LEU819A, LEU92C, LYS118C, LYS791A, LYS80C, LYS810A, LYS823A, LYS97C, MET119C, MET146C, MET35C, MET822A, PHE11C, PHE15C, PHE18C, PHE799A, PHE812A, PHE95C, PRO42C, SER149C, THR114C, THR120C, THR43C, THR793A, THR820A, TYR140C, TYR806A, TYR88C, VAL103C, VAL111C, VAL113C, VAL124C, VAL128C, VAL144C, VAL147C, VAL34C, VAL47C, VAL795A, VAL89C, VAL94C
• A-D: ALA877A, ALA877D, ALA879D, ALA904A, ALA904D, ALA910A, ALA910D, ARG869A, ARG869D, ARG873A, ARG873D, ASP864A, ASP864D, CYS892A, CYS892D, GLN856A, GLN856D, GLN874A, GLN874D, GLN875A, GLN875D, GLN890A, GLN890D, GLN899A, GLN899D, GLN903A, GLN903D, GLU857A, GLU859A, GLU859D, GLU866A, GLU866D, GLU872A, GLU872D, GLU878A, GLU878D, GLU880A, GLU880D, GLU883D, GLU885A, GLU885D, GLU894A, GLU894D, GLU900A, GLU905A, GLU905D, GLU907A, GLU907D, HIS888A, HIS888D, LEU867A, LEU867D, LEU881A, LEU881D, LEU884A, LEU884D, LEU891A, LEU891D, LEU897A, LEU898A, LEU898D, LEU902A, LEU902D, LEU908A, LEU908D, LYS863A, LYS863D, LYS871A, LYS871D, LYS876A, LYS876D, LYS882A, LYS882D, LYS887A, LYS887D, LYS895A, LYS895D, LYS901A, LYS901D, MET860A, MET860D, THR870A, THR870D, THR906A, THR906D, TYR909A, TYR909D
• B-C: ARG132B, ARG20C, ASP131B, GLY130B, GLY22C, MET129B, THR128B, THR21C
• B-E: ALA58B, ASN63B, GLY61B, LYS62B, LYS62E, MET60B, SER59B
• D-E: ALA105E, ALA107E, ALA145E, ALA166E, ALA36E, ALA58E, ALA821D, ALA830D, ALA831D, ARG103E, ARG123E, ARG132E, ARG143E, ARG160E, ARG815D, ARG827D, ARG836D, ARG842D, ARG855D, ASN104E, ASN38E, ASN63E, ASN828D, ASN837D, ASN94E, ASP100E, ASP110E, ASP131E, ASP139E, ASP41E, ASP52E, ASP97E, CYS108E, CYS829D, GLN29E, GLN31E, GLN817D, GLN818D, GLN826D, GLN839D, GLN852D, GLU111E, GLU124E, GLU136E, GLU137E, GLU140E, GLU144E, GLU32E, GLU35E, GLU67E, GLU75E, GLU857D, GLU858D, GLU91E, GLU99E, GLY130E, GLY165E, GLY61E, GLY71E, GLY90E, GLY95E, HIS121E, HIS164E, ILE102E, ILE117E, ILE161E, ILE40E, ILE48E, ILE80E, ILE825D, LEU122E, LEU125E, LEU126E, LEU162E, LEU53E, LEU57E, LEU69E, LEU833D, LEU835D, LEU843D, LEU850D, LEU851D, LEU93E, LYS163E, LYS167E, LYS34E, LYS62E, LYS814D, LYS823D, LYS834D, LYS846D, LYS848D, LYS92E, MET129E, MET141E, MET39E, MET56E, MET60E, MET72E, MET73E, MET822D, MET88E, PHE106E, PHE109E, PHE133E, PHE153E, PHE158E, PHE25E, PHE33E, PHE37E, PHE844D, PHE85E, PHE89E, PRO146E, PRO64E, PRO849D, PRO98E, SER28E, SER59E, THR127E, THR128E, THR134E, THR159E, THR65E, THR820D, THR845D, THR854D, THR87E, THR96E, TRP838D, TRP840D, TRP841D, TYR142E, TYR155E, TYR68E, TYR832D, VAL101E, VAL138E, VAL824D, VAL847D, VAL853D
• D-F: ALA14F, ALA198D, ALA37F, ALA45F, ALA798D, ALA801D, ALA808D, ALA811D, ALA813D, ARG145F, ARG162D, ARG20F, ARG36F, ARG733D, ARG788D, ARG804D, ARG809D, ARG815D, ARG93F, ASN100F, ASN135F, ASN41F, ASN44F, ASN79F, ASP133F, ASP139D, ASP158D, ASP19F, ASP33F, ASP789D, ASP794D, ASP81F, ASP87F, ASP96F, CYS803D, CYS84F, GLN126F, GLN166D, GLN16F, GLN30F, GLN40F, GLN732D, GLN800D, GLN802D, GLN816D, GLN826D, GLN82F, GLU107F, GLU117F, GLU122F, GLU123F, GLU125F, GLU13F, GLU46F, GLU785D, GLU90F, GLU98F, GLY101F, GLY116F, GLY136F, GLY143D, GLY150F, GLY203D, GLY260D, GLY32F, GLY39F, GLY805D, GLY83F, GLY91F, GLY99F, HIS201D, ILE108F, ILE736D, ILE792D, ILE796D, ILE797D, LEU112F, LEU115F, LEU127F, LEU143F, LEU148F, LEU165D, LEU17F, LEU38F, LEU790D, LEU807D, LEU819D, LEU92F, LYS118F, LYS142D, LYS144D, LYS145D, LYS202D, LYS204D, LYS791D, LYS80F, LYS810D, LYS814D, LYS823D, LYS97F, MET104F, MET119F, MET146F, MET35F, MET822D, PHE15F, PHE18F, PHE215D, PHE799D, PHE812D, PHE95F, PRO42F, SER134F, SER149F, SER199D, SER200D, THR102F, THR114F, THR120F, THR21F, THR259D, THR43F, THR793D, THR820D, TYR140F, TYR141D, TYR161D, TYR261D, TYR806D, TYR88F, VAL111F, VAL113F, VAL124F, VAL128F, VAL144F, VAL147F, VAL197D, VAL258D, VAL34F, VAL795D, VAL89F, VAL94F
• E-F: ARG132E, ARG20F, ASP131E, ASP19F, ASP23F, GLU124E, GLY130E, GLY22F, LEU125E, LEU27F, MET129E, THR127E, THR128E, THR21F