1M54

cystathionine-beta synthase: reduced vicinal thiols

• Total interactions analyzed: 15
• Total true interactions: 10
• Strongest Interaction:
  • Chains: E-F
  • Int. Res.: 196
  • Norm. En. per Res.: -3.3506
• 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	-93.296	-44.0113	-440.359	-577.6662	193	35	20	21906	1	59	52
A-C	-38.1364	7.0932	-115.208	-146.2512	84	25	1	6262	0	58	49
A-D	-10.5257	14.1776	-42.0265	-38.3746	40	5	0	2262	0	21	19
A-F	0.0	31.8374	-17.3187	14.5187	21	5	0	1122	0	3	6
B-C	-5.9891	5.3134	-37.6636	-38.3393	40	11	0	2129	0	18	17
C-D	-77.5113	-73.8448	-410.95	-562.306	191	54	21	22123	6	52	51
C-F	0.0	0.2782	-29.7592	-29.481	40	10	0	2040	1	21	16
D-E	-21.1909	7.7781	-31.8143	-45.2271	44	9	0	2202	2	20	17
D-F	-26.6342	11.0163	-131.314	-146.9319	79	16	1	6402	0	58	44
E-F	-79.775	-82.4187	-494.531	-656.7247	196	53	21	23576	6	52	51

Interface residues

• A-B: ALA107A, ALA107B, ALA114A, ALA114B, ALA155A, ALA155B, ALA157A, ALA157B, ALA158A, ALA158B, ALA159A, ALA159B, ALA183A, ALA183B, ALA186A, ALA186B, ALA335A, ALA335B, ALA340A, ALA340B, ARG161A, ARG161B, ARG182A, ARG182B, ARG190B, ARG336A, ARG336B, ARG369A, ARG369B, ARG379A, ARG379B, ARG389A, ARG389B, ARG91A, ARG91B, ASN113A, ASN113B, ASN380A, ASN380B, ASN93A, ASN93B, ASP120A, ASP120B, ASP179A, ASP179B, ASP245A, ASP245B, ASP388A, ASP388B, ASP401A, ASP79A, ASP79B, ASP86A, ASP86B, CYS109A, CYS109B, CYS244A, CYS244B, GLN242A, GLN242B, GLN243A, GLN243B, GLN341A, GLN341B, GLU104A, GLU104B, GLU176A, GLU176B, GLU239A, GLU239B, GLU342A, GLU342B, GLY115A, GLY115B, GLY116A, GLY116B, GLY162A, GLY162B, GLY185A, GLY185B, GLY246A, GLY246B, GLY343A, GLY343B, ILE152A, ILE152B, ILE188B, ILE240A, ILE240B, ILE339A, ILE339B, ILE76A, ILE76B, ILE80A, ILE80B, ILE84A, ILE84B, ILE92A, ILE92B, LEU105B, LEU106A, LEU106B, LEU156A, LEU156B, LEU181A, LEU181B, LEU184A, LEU184B, LEU241A, LEU248A, LEU338A, LEU338B, LEU344A, LEU344B, LEU345A, LEU345B, LEU374A, LEU374B, LEU386A, LEU386B, LEU402A, LEU77A, LEU77B, LEU81A, LEU81B, LYS108A, LYS108B, LYS177A, LYS177B, LYS247A, LYS247B, LYS384A, LYS72A, LYS72B, LYS75A, LYS75B, LYS82A, LYS82B, LYS83A, LYS83B, LYS94A, LYS94B, MET337A, MET337B, MET382A, MET382B, MET89A, MET89B, PHE111A, PHE111B, PHE112A, PHE112B, PHE385A, PHE385B, PRO74A, PRO74B, PRO78A, PRO78B, PRO88A, PRO88B, SER117B, SER174A, SER175A, SER175B, SER377A, SER377B, SER387A, SER387B, SER73A, SER73B, THR383A, THR383B, THR403A, THR87A, THR87B, TRP390A, TRP390B, TYR163A, TYR163B, TYR381A, TYR381B, VAL160A, VAL160B, VAL178A, VAL178B, VAL180A, VAL180B, VAL371A, VAL371B, VAL378A, VAL378B, VAL90A, VAL90B
• A-C: ALA130A, ALA130C, ALA60A, ALA60C, ALA69A, ALA69C, ALA71A, ALA71C, ARG125A, ARG125C, ARG132A, ARG132C, ARG161C, ASP129A, ASP133A, ASP133C, ASP234A, ASP234C, ASP238C, ASP245A, ASP245C, ASP79A, ASP79C, ASP86C, GLN242A, GLN242C, GLN243A, GLU128A, GLU128C, GLU131A, GLU131C, GLU62A, GLU62C, GLY134A, GLY134C, GLY246A, GLY246C, HIS65A, HIS65C, HIS66A, HIS66C, HIS67A, HIS67C, ILE76A, ILE76C, LEU136A, LEU136C, LEU241A, LEU241C, LEU77A, LEU77C, LYS137A, LYS137C, LYS247C, LYS271A, LYS271C, LYS72A, LYS72C, LYS75A, LYS75C, LYS82A, LYS82C, PRO138A, PRO138C, PRO59A, PRO59C, PRO64A, PRO64C, PRO70A, PRO70C, PRO74A, PRO74C, PRO78A, PRO78C, SER61A, SER61C, SER63A, SER63C, SER73A, SER73C, THR135A, THR135C, THR68A, THR68C
• A-D: ALA130A, ARG132A, ARG369D, ARG91D, ASN216A, ASN93D, ASP133A, ASP140A, ASP245D, CYS103D, CYS244D, GLN243D, GLN365D, GLN368D, GLU104D, GLU131A, GLU366D, GLU62A, GLY134A, GLY139A, GLY367D, HIS218A, ILE214A, ILE92D, LEU105D, LEU106D, LEU136A, LYS102D, LYS137A, LYS211A, LYS247D, LYS75D, LYS97D, MET89D, PRO138A, PRO215A, SER217A, THR135A, TYR163A, VAL90D
• A-F: ARG51A, ARG51F, ARG58A, ARG58F, CYS52A, CYS52F, GLN55A, GLN55F, GLU62A, GLU62F, PRO49A, PRO49F, PRO59A, PRO64A, PRO64F, SER50A, SER50F, THR53A, THR53F, TRP54A, TRP54F
• B-C: ALA130C, ARG132C, ARG369B, ARG91B, ASN212C, ASN216C, ASN93B, ASP133C, ASP140C, ASP245B, CYS103B, GLN243B, GLN365B, GLN368B, GLU104B, GLU131C, GLU366B, GLU62C, GLY134C, GLY139C, GLY367B, HIS218C, ILE214C, LEU105B, LEU106B, LEU136C, LYS102B, LYS137C, LYS211C, LYS247B, LYS75B, LYS97B, MET89B, PRO138C, PRO215C, SER217C, SER61C, THR135C, THR141C, TYR163C
• C-D: ALA107C, ALA107D, ALA114C, ALA114D, ALA155C, ALA155D, ALA157C, ALA157D, ALA158C, ALA158D, ALA159C, ALA159D, ALA183C, ALA183D, ALA186C, ALA186D, ALA335C, ALA335D, ALA340C, ALA340D, ARG161C, ARG161D, ARG182C, ARG182D, ARG336C, ARG336D, ARG369C, ARG369D, ARG379C, ARG379D, ARG389C, ARG389D, ARG91C, ARG91D, ASN113C, ASN113D, ASN380C, ASN380D, ASN93C, ASN93D, ASP120D, ASP179C, ASP179D, ASP245C, ASP245D, ASP388C, ASP388D, ASP79C, ASP79D, ASP86C, ASP86D, CYS109C, CYS109D, CYS244C, CYS244D, CYS346D, GLN242C, GLN242D, GLN243C, GLN243D, GLN341C, GLN341D, GLU104C, GLU104D, GLU176C, GLU176D, GLU239C, GLU239D, GLU342C, GLU342D, GLY115C, GLY115D, GLY116C, GLY116D, GLY162C, GLY162D, GLY185C, GLY185D, GLY246C, GLY246D, GLY343C, GLY343D, GLY85D, ILE152C, ILE152D, ILE240C, ILE240D, ILE339C, ILE339D, ILE76C, ILE76D, ILE80C, ILE80D, ILE84C, ILE84D, ILE92C, ILE92D, LEU105C, LEU105D, LEU106C, LEU106D, LEU156C, LEU156D, LEU181C, LEU181D, LEU184C, LEU184D, LEU241D, LEU338C, LEU338D, LEU344C, LEU344D, LEU345C, LEU345D, LEU374C, LEU374D, LEU386C, LEU386D, LEU392C, LEU397C, LEU77C, LEU77D, LEU81C, LEU81D, LYS108C, LYS108D, LYS177C, LYS177D, LYS247C, LYS247D, LYS384C, LYS384D, LYS72D, LYS75C, LYS75D, LYS82C, LYS82D, LYS83C, LYS83D, LYS94C, LYS94D, MET337C, MET337D, MET382C, MET382D, MET89C, MET89D, PHE111C, PHE111D, PHE112C, PHE112D, PHE385C, PHE385D, PRO74C, PRO74D, PRO78C, PRO78D, PRO88C, PRO88D, SER174C, SER174D, SER175C, SER175D, SER377C, SER377D, SER387C, SER387D, SER73C, SER73D, THR383C, THR383D, THR87C, THR87D, TRP390C, TRP390D, TYR163C, TYR163D, TYR381C, TYR381D, VAL160C, VAL160D, VAL178C, VAL178D, VAL180C, VAL180D, VAL371C, VAL371D, VAL378C, VAL378D, VAL90C, VAL90D
• C-F: ALA130F, ARG132F, ARG164F, ARG369C, ARG91C, ASN216F, ASN93C, ASP133F, ASP140F, ASP245C, CYS103C, CYS244C, GLN243C, GLN365C, GLN368C, GLU104C, GLU131F, GLU366C, GLU62F, GLY134F, GLY139F, GLY367C, HIS218F, ILE214F, ILE92C, LEU105C, LEU106C, LEU136F, LYS102C, LYS137F, LYS75C, LYS97C, MET89C, PRO138F, PRO215F, SER217F, SER61F, SER63F, THR135F, TYR163F
• D-E: ALA130D, ARG132D, ARG164D, ARG369E, ARG91E, ASN212D, ASN216D, ASN93E, ASP133D, ASP140D, ASP245E, CYS103E, CYS244E, CYS370E, GLN243E, GLN365E, GLN368E, GLU104E, GLU131D, GLU213D, GLU366E, GLU62D, GLY134D, GLY139D, GLY367E, HIS218D, ILE214D, LEU105E, LEU106E, LEU136D, LYS102E, LYS137D, LYS247E, LYS75E, LYS97E, MET89E, PRO138D, PRO215D, SER217D, SER61D, THR135D, THR141D, TYR163D, VAL90E
• D-F: ALA130D, ALA130F, ALA60D, ALA60F, ALA69D, ALA69F, ALA71D, ALA71F, ARG125D, ARG125F, ARG132D, ARG132F, ASP129F, ASP133D, ASP133F, ASP234F, ASP238F, ASP245D, ASP245F, ASP79D, ASP79F, GLN242D, GLN242F, GLU128D, GLU128F, GLU131D, GLU131F, GLU62D, GLU62F, GLY134D, GLY134F, GLY246D, GLY246F, HIS65D, HIS65F, HIS66D, HIS66F, HIS67D, HIS67F, ILE76D, ILE76F, LEU136D, LEU136F, LEU241D, LEU241F, LEU77D, LEU77F, LYS137D, LYS137F, LYS271D, LYS271F, LYS72D, LYS72F, LYS75D, LYS75F, LYS82D, LYS82F, PRO138D, PRO138F, PRO59D, PRO64D, PRO64F, PRO70D, PRO70F, PRO74D, PRO74F, PRO78D, PRO78F, SER61D, SER61F, SER63D, SER63F, SER73D, SER73F, THR135D, THR135F, THR68D, THR68F, TYR163F
• E-F: ALA107E, ALA107F, ALA114E, ALA114F, ALA155E, ALA155F, ALA157E, ALA157F, ALA158E, ALA158F, ALA159E, ALA159F, ALA183E, ALA183F, ALA186E, ALA186F, ALA335E, ALA335F, ALA340E, ALA340F, ARG161E, ARG161F, ARG182E, ARG182F, ARG336E, ARG336F, ARG369E, ARG369F, ARG379E, ARG379F, ARG389E, ARG389F, ARG91E, ARG91F, ASN113E, ASN113F, ASN380E, ASN380F, ASN93E, ASN93F, ASP120E, ASP120F, ASP179E, ASP179F, ASP245E, ASP245F, ASP388E, ASP388F, ASP79E, ASP79F, ASP86E, ASP86F, CYS109E, CYS109F, CYS244E, CYS244F, GLN242E, GLN242F, GLN243E, GLN243F, GLN341E, GLN341F, GLN393F, GLU104E, GLU104F, GLU176E, GLU176F, GLU239E, GLU239F, GLU342E, GLU342F, GLY115E, GLY115F, GLY116E, GLY116F, GLY153F, GLY162E, GLY162F, GLY185E, GLY185F, GLY246E, GLY246F, GLY343E, GLY343F, GLY395E, ILE152E, ILE152F, ILE240E, ILE240F, ILE339E, ILE339F, ILE76E, ILE76F, ILE80E, ILE80F, ILE84E, ILE84F, ILE92E, ILE92F, LEU105E, LEU105F, LEU106E, LEU106F, LEU156E, LEU156F, LEU181E, LEU181F, LEU184E, LEU184F, LEU241E, LEU241F, LEU338E, LEU338F, LEU344E, LEU344F, LEU345E, LEU345F, LEU374E, LEU386E, LEU386F, LEU397E, LEU77E, LEU77F, LEU81E, LEU81F, LYS108E, LYS108F, LYS177E, LYS177F, LYS247E, LYS247F, LYS384E, LYS384F, LYS394F, LYS72E, LYS75E, LYS75F, LYS82E, LYS82F, LYS83E, LYS83F, LYS94E, LYS94F, MET337E, MET337F, MET382E, MET382F, MET391F, MET89E, MET89F, PHE111E, PHE111F, PHE112E, PHE112F, PHE385E, PHE385F, PHE396E, PRO74E, PRO74F, PRO78E, PRO78F, PRO88E, PRO88F, SER117E, SER117F, SER174E, SER174F, SER175E, SER175F, SER377E, SER377F, SER387E, SER387F, SER73E, SER73F, THR383E, THR383F, THR87E, THR87F, TRP390E, TRP390F, TYR163E, TYR163F, TYR381F, VAL160E, VAL160F, VAL178E, VAL178F, VAL180E, VAL180F, VAL371E, VAL371F, VAL378E, VAL378F, VAL90E, VAL90F