1XWF

k185n mutated s-adenosylhomocysteine hydrolase

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: C-D
  • Int. Res.: 245
  • Norm. En. per Res.: -3.8375
• 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	-84.7828	-83.6379	-705.886	-874.3067	236	41	29	30320	13	81	54
A-C	-42.6881	-6.5421	-311.129	-360.3593	167	19	4	15122	10	70	72
A-D	0.0	6.5139	-88.7427	-82.2288	53	1	0	3414	0	16	12
B-C	0.0	5.6791	-93.1109	-87.4318	54	5	0	3611	2	18	12
B-D	-54.3935	-3.1802	-306.126	-363.6996	168	26	4	15362	11	68	74
C-D	-81.6504	-89.8371	-768.712	-940.1995	245	42	29	31777	13	82	61

Interface residues

• A-B: ALA218A, ALA218B, ALA248A, ALA248B, ALA251A, ALA251B, ALA252A, ALA252B, ALA392A, ALA392B, ALA394A, ALA394B, ALA396A, ALA396B, ALA413A, ALA413B, ARG195A, ARG195B, ARG232A, ARG232B, ARG284A, ARG284B, ARG430A, ARG430B, ASN178A, ASN178B, ASN180A, ASN180B, ASN185A, ASN185B, ASN190A, ASN190B, ASN247A, ASN247B, ASN359A, ASN359B, ASN402A, ASN402B, ASN421A, ASN421B, ASP181A, ASP181B, ASP222A, ASP222B, ASP244A, ASP244B, ASP262A, ASP262B, ASP279A, ASP279B, ASP390A, ASP390B, ASP427A, ASP427B, CYS277A, CYS277B, GLN229A, GLN229B, GLN250A, GLN250B, GLN412A, GLN412B, GLU196A, GLU196B, GLU242A, GLU242B, GLU254A, GLU254B, GLU257A, GLU257B, GLU263A, GLU263B, GLU304A, GLU304B, GLU391A, GLU391B, GLU395A, GLU395B, GLY193A, GLY193B, GLY219A, GLY219B, GLY221A, GLY221B, GLY224A, GLY255A, GLY255B, GLY276A, GLY276B, GLY399A, GLY399B, GLY417A, GLY417B, GLY422A, GLY422B, HIS161A, HIS161B, HIS300A, HIS300B, HIS397A, HIS397B, HIS428A, HIS428B, ILE240A, ILE240B, ILE243A, ILE243B, ILE246A, ILE246B, ILE280A, ILE280B, ILE420A, ILE420B, LEU191A, LEU191B, LEU249A, LEU249B, LEU282A, LEU282B, LEU385A, LEU385B, LEU389A, LEU389B, LEU398A, LEU398B, LEU401A, LEU401B, LEU405A, LEU405B, LEU408A, LEU408B, LEU416A, LEU416B, LYS165A, LYS165B, LYS187A, LYS187B, LYS225A, LYS225B, LYS308A, LYS387A, LYS387B, LYS388A, LYS388B, LYS400A, LYS400B, LYS404A, LYS404B, LYS407A, LYS407B, LYS411A, LYS411B, LYS425A, LYS425B, MET253A, MET253B, MET261A, MET261B, MET418A, MET418B, PHE188A, PHE188B, PHE301A, PHE301B, PHE355A, PHE355B, PHE384A, PHE384B, PHE424A, PHE424B, PRO245A, PRO245B, PRO353A, PRO353B, PRO386B, PRO419A, PRO419B, PRO423A, PRO423B, PRO426A, PRO426B, SER182A, SER182B, SER186A, SER186B, THR157A, THR157B, THR158A, THR158B, THR184A, THR184B, THR241A, THR241B, THR259A, THR259B, THR260A, THR260B, THR275A, THR275B, THR406A, THR406B, THR409A, THR409B, TYR164A, TYR164B, TYR192A, TYR192B, TYR220A, TYR220B, TYR256A, TYR256B, TYR415A, TYR415B, TYR429A, TYR429B, TYR431A, TYR431B, VAL160A, VAL160B, VAL183A, VAL183B, VAL223A, VAL223B, VAL258A, VAL258B, VAL278A, VAL278B, VAL303A, VAL303B, VAL356A, VAL356B, VAL382B, VAL393A, VAL393B, VAL403A, VAL403B
• A-C: ALA205A, ALA205C, ALA20A, ALA20C, ALA211A, ALA211C, ALA230A, ALA230C, ALA236A, ALA236C, ALA24A, ALA24C, ALA293A, ALA293C, ALA349A, ALA349C, ARG18A, ARG18C, ARG195A, ARG195C, ARG204A, ARG204C, ARG232A, ARG232C, ARG237A, ARG237C, ARG326A, ARG326C, ARG334A, ARG334C, ASN269A, ASN269C, ASN26A, ASN26C, ASN319A, ASN319C, ASN359A, ASN359C, ASN402A, ASN402C, ASP200A, ASP200C, ASP207A, ASP207C, ASP22A, ASP22C, ASP291A, ASP291C, ASP292A, ASP292C, ASP325A, ASP325C, CYS194A, CYS194C, GLN229A, GLN229C, GLN84A, GLN84C, GLU196A, GLU196C, GLU25A, GLU25C, GLU267A, GLU267C, GLU27A, GLU27C, GLU58A, GLU58C, GLY193A, GLY193C, GLY201A, GLY201C, GLY212A, GLY212C, GLY233A, GLY233C, GLY235A, GLY235C, GLY332A, GLY332C, GLY351A, GLY351C, GLY399A, GLY399C, HIS333A, HIS333C, HIS352A, HIS352C, HIS86A, HIS86C, ILE199A, ILE199C, ILE202A, ILE202C, ILE210A, ILE210C, ILE23A, ILE23C, ILE294A, ILE294C, ILE320A, ILE320C, ILE336A, ILE336C, LEU198A, LEU198C, LEU21A, LEU21C, LEU401A, LEU401C, LYS19A, LYS19C, LYS203A, LYS203C, LYS213A, LYS213C, LYS266A, LYS266C, LYS290A, LYS290C, LYS321A, LYS321C, LYS400A, LYS400C, LYS404A, LYS404C, MET209A, MET209C, MET32C, MET350A, MET350C, MET357A, MET357C, PHE188A, PHE188C, PHE234A, PHE234C, PHE355A, PHE355C, PRO29A, PRO29C, PRO322A, PRO322C, PRO353A, PRO353C, SER197A, SER197C, SER354A, SER354C, THR206A, THR206C, TRP16A, TRP16C, TYR192A, TYR192C, VAL208A, VAL208C, VAL214A, VAL214C, VAL318A, VAL318C, VAL324A, VAL324C, VAL356A, VAL356C, VAL403A, VAL403C
• A-D: ALA211A, ALA211D, ALA236A, ALA236D, ALA251A, ALA251D, ALA252A, ALA252D, ARG232A, ARG232D, ARG237A, ARG237D, GLN250D, GLU254A, GLU254D, GLU257A, GLU257D, GLU267A, GLU267D, GLY212A, GLY212D, GLY233A, GLY233D, GLY235A, GLY235D, GLY255A, GLY255D, ILE210A, ILE210D, ILE239A, ILE239D, LEU231A, LEU231D, LEU249A, LEU249D, LYS213A, LYS213D, MET209A, MET209D, MET253A, MET253D, PHE234A, PHE234D, THR259A, THR259D, TYR256A, TYR256D, VAL214A, VAL214D, VAL238A, VAL238D, VAL258A, VAL258D
• B-C: ALA211B, ALA211C, ALA215B, ALA236B, ALA236C, ALA251B, ALA251C, ALA252B, ALA252C, ARG232B, ARG232C, ARG237B, ARG237C, GLN250C, GLU254B, GLU254C, GLU257B, GLU257C, GLU267B, GLU267C, GLY212B, GLY212C, GLY233B, GLY233C, GLY235B, GLY235C, GLY255B, GLY255C, ILE210B, ILE210C, ILE239B, ILE239C, LEU231B, LEU231C, LEU249B, LEU249C, LYS213B, LYS213C, MET209B, MET209C, MET253B, MET253C, PHE234B, PHE234C, THR259B, THR259C, TYR256B, TYR256C, VAL214B, VAL214C, VAL238B, VAL238C, VAL258B, VAL258C
• B-D: ALA205B, ALA205D, ALA20B, ALA20D, ALA211B, ALA211D, ALA230B, ALA230D, ALA236B, ALA236D, ALA24B, ALA24D, ALA293B, ALA293D, ALA349B, ALA349D, ARG18B, ARG18D, ARG195B, ARG195D, ARG204B, ARG204D, ARG232B, ARG232D, ARG237B, ARG237D, ARG326B, ARG326D, ARG334B, ARG334D, ASN269B, ASN269D, ASN26B, ASN26D, ASN319B, ASN319D, ASN359B, ASN359D, ASN402B, ASN402D, ASP200B, ASP200D, ASP207B, ASP207D, ASP22B, ASP22D, ASP291B, ASP291D, ASP292B, ASP292D, ASP325B, CYS194B, CYS194D, GLN229B, GLN229D, GLN84B, GLN84D, GLU196B, GLU196D, GLU25B, GLU25D, GLU267B, GLU267D, GLU27B, GLU27D, GLU58B, GLU58D, GLY193B, GLY193D, GLY201B, GLY201D, GLY212B, GLY212D, GLY226D, GLY233B, GLY233D, GLY235B, GLY235D, GLY332B, GLY332D, GLY351B, GLY351D, GLY399B, GLY399D, HIS333B, HIS333D, HIS352B, HIS352D, HIS86B, HIS86D, ILE199B, ILE199D, ILE202B, ILE202D, ILE210B, ILE210D, ILE23B, ILE23D, ILE294B, ILE294D, ILE320B, ILE320D, ILE336B, ILE336D, LEU191D, LEU198B, LEU198D, LEU21B, LEU21D, LEU401B, LEU401D, LYS19B, LYS19D, LYS203B, LYS203D, LYS213B, LYS213D, LYS266B, LYS266D, LYS290B, LYS290D, LYS321B, LYS321D, LYS400B, LYS400D, LYS404B, LYS404D, MET209B, MET209D, MET32D, MET350B, MET350D, MET357B, MET357D, PHE188B, PHE188D, PHE234B, PHE234D, PHE355B, PHE355D, PRO29B, PRO29D, PRO322B, PRO322D, PRO353B, PRO353D, SER197B, SER197D, SER354B, SER354D, THR206B, THR206D, TRP16B, TRP16D, TYR192B, TYR192D, VAL208B, VAL208D, VAL214B, VAL214D, VAL318B, VAL318D, VAL324B, VAL324D, VAL356B, VAL356D, VAL403B, VAL403D
• C-D: ALA218C, ALA218D, ALA248C, ALA248D, ALA251C, ALA251D, ALA252C, ALA252D, ALA264C, ALA392C, ALA392D, ALA394C, ALA394D, ALA396C, ALA396D, ALA413C, ALA413D, ARG195C, ARG195D, ARG232C, ARG232D, ARG284C, ARG284D, ARG430C, ARG430D, ASN178C, ASN178D, ASN180C, ASN180D, ASN185C, ASN185D, ASN190C, ASN190D, ASN247C, ASN247D, ASN359C, ASN359D, ASN402C, ASN402D, ASN421C, ASN421D, ASP181C, ASP181D, ASP222C, ASP222D, ASP244C, ASP244D, ASP262C, ASP262D, ASP279C, ASP279D, ASP306C, ASP390C, ASP390D, ASP427C, ASP427D, CYS277C, CYS277D, GLN229C, GLN229D, GLN250C, GLN250D, GLN412C, GLN412D, GLN414C, GLN414D, GLU196C, GLU196D, GLU242C, GLU242D, GLU254C, GLU254D, GLU257C, GLU257D, GLU263C, GLU263D, GLU304C, GLU304D, GLU391C, GLU391D, GLU395C, GLU395D, GLY193C, GLY193D, GLY219C, GLY219D, GLY221C, GLY221D, GLY224C, GLY224D, GLY255C, GLY255D, GLY276C, GLY276D, GLY399C, GLY399D, GLY417C, GLY417D, GLY422C, GLY422D, HIS161C, HIS161D, HIS285C, HIS285D, HIS300C, HIS300D, HIS397C, HIS397D, HIS428C, HIS428D, ILE240C, ILE240D, ILE243C, ILE243D, ILE246C, ILE246D, ILE280C, ILE280D, ILE281C, ILE281D, ILE420C, ILE420D, LEU191C, LEU191D, LEU249C, LEU249D, LEU282C, LEU282D, LEU385C, LEU385D, LEU389C, LEU389D, LEU398C, LEU398D, LEU401C, LEU401D, LEU405C, LEU405D, LEU408C, LEU408D, LEU416C, LEU416D, LYS165C, LYS165D, LYS187C, LYS187D, LYS225C, LYS225D, LYS308C, LYS308D, LYS387C, LYS387D, LYS388C, LYS388D, LYS400C, LYS400D, LYS404C, LYS404D, LYS407C, LYS407D, LYS411C, LYS411D, LYS425C, LYS425D, MET253C, MET253D, MET261C, MET261D, MET418C, MET418D, PHE188C, PHE188D, PHE301C, PHE301D, PHE355C, PHE355D, PHE384C, PHE384D, PHE424C, PHE424D, PRO245C, PRO245D, PRO353C, PRO353D, PRO386D, PRO419C, PRO419D, PRO423C, PRO423D, PRO426C, PRO426D, SER182C, SER182D, SER186C, SER186D, THR157C, THR157D, THR158C, THR158D, THR184C, THR184D, THR241C, THR241D, THR259C, THR259D, THR260C, THR260D, THR275C, THR275D, THR406C, THR406D, THR409C, THR409D, TYR164C, TYR164D, TYR192C, TYR192D, TYR220C, TYR220D, TYR256C, TYR256D, TYR415C, TYR415D, TYR429C, TYR429D, TYR431C, TYR431D, VAL160C, VAL160D, VAL183C, VAL183D, VAL223C, VAL223D, VAL258C, VAL258D, VAL278C, VAL278D, VAL303C, VAL303D, VAL356C, VAL356D, VAL393C, VAL393D, VAL403C, VAL403D