1V8B

crystal structure of a hydrolase

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: C-D
  • Int. Res.: 246
  • Norm. En. per Res.: -3.6183
• 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	-105.2232	-7.8799	-767.889	-880.9921	246	23	32	31863	7	78	70
A-C	-60.1492	-16.0047	-408.146	-484.2999	178	6	6	18626	12	54	59
A-D	-4.9758	1.4116	-125.87	-129.4342	54	3	0	4757	0	10	6
B-C	-4.9213	1.3799	-124.772	-128.3134	54	4	0	4746	0	10	6
B-D	-70.4428	-35.6026	-405.45	-511.4954	182	14	5	18598	9	54	57
C-D	-110.3461	-7.2252	-772.529	-890.1003	246	23	31	32270	7	78	69

Interface residues

• A-B: ALA227A, ALA227B, ALA293A, ALA293B, ALA296A, ALA296B, ALA442A, ALA442B, ALA451A, ALA451B, ARG207A, ARG207B, ARG240A, ARG240B, ARG478A, ARG478B, ASN223A, ASN223B, ASN225A, ASN225B, ASN302A, ASN302B, ASN322A, ASN322B, ASN450A, ASN450B, ASN459A, ASN459B, ASN467A, ASN467B, ASN475A, ASN475B, ASP226A, ASP226B, ASP234A, ASP234B, ASP267A, ASP267B, ASP289A, ASP289B, ASP307A, ASP307B, ASP324A, ASP324B, ASP348A, ASP348B, ASP438A, ASP438B, ASP457A, ASP457B, ASP458A, ASP458B, CYS263A, CYS263B, CYS292A, CYS292B, CYS461A, CYS461B, GLN231A, GLN231B, GLN295A, GLN295B, GLN351A, GLN351B, GLN460A, GLN460B, GLN462A, GLN462B, GLU287A, GLU287B, GLU299A, GLU299B, GLU308A, GLU308B, GLU349A, GLU349B, GLU439A, GLU439B, GLU455A, GLU455B, GLU476A, GLU476B, GLY238A, GLY238B, GLY264A, GLY264B, GLY266A, GLY266B, GLY269A, GLY269B, GLY300A, GLY300B, GLY321A, GLY321B, GLY465A, GLY465B, GLY470A, GLY470B, HIS241A, HIS241B, HIS330A, HIS330B, HIS345A, HIS345B, HIS436A, HIS436B, HIS445A, HIS445B, ILE285A, ILE285B, ILE288A, ILE288B, ILE291A, ILE291B, ILE294A, ILE294B, ILE326A, ILE326B, LEU206A, LEU206B, LEU306A, LEU306B, LEU432A, LEU432B, LEU433A, LEU433B, LEU437A, LEU437B, LEU443A, LEU443B, LEU446A, LEU446B, LEU449A, LEU449B, LEU453A, LEU453B, LEU456A, LEU456B, LEU464A, LEU464B, LYS165A, LYS165B, LYS209A, LYS209B, LYS210A, LYS210B, LYS213A, LYS213B, LYS230A, LYS230B, LYS232A, LYS232B, LYS270A, LYS270B, LYS277A, LYS277B, LYS327A, LYS327B, LYS435A, LYS435B, LYS440A, LYS440B, LYS447A, LYS447B, LYS448A, LYS448B, LYS468A, LYS468B, LYS473A, LYS473B, MET298A, MET298B, PHE301A, PHE301B, PHE346A, PHE346B, PHE401A, PHE401B, PHE405A, PHE405B, PHE463A, PHE463B, PHE472A, PHE472B, PRO290A, PRO290B, PRO399A, PRO399B, PRO471A, PRO471B, SER274A, SER274B, SER452A, SER452B, SER469A, SER469B, SER474A, SER474B, THR202A, THR202B, THR203A, THR203B, THR229A, THR229B, THR286A, THR286B, THR305A, THR305B, THR320A, THR320B, THR454A, THR454B, TYR233A, TYR233B, TYR237A, TYR237B, TYR265A, TYR265B, TYR444A, TYR444B, TYR477A, TYR477B, TYR479A, TYR479B, VAL228A, VAL228B, VAL236A, VAL236B, VAL268A, VAL268B, VAL297A, VAL297B, VAL303A, VAL303B, VAL304A, VAL304B, VAL323A, VAL323B, VAL325A, VAL325B, VAL402A, VAL402B, VAL441A, VAL441B, VAL466A, VAL466B
• A-C: ALA250A, ALA250C, ALA281A, ALA281C, ALA338A, ALA395A, ALA395C, ALA400A, ALA400C, ALA451A, ALA451C, ARG240A, ARG240C, ARG249A, ARG249C, ARG282A, ARG282C, ARG372A, ARG372C, ASN26A, ASN26C, ASN336A, ASN336C, ASN337A, ASN337C, ASN365A, ASN365C, ASN450A, ASN450C, ASP245A, ASP245C, ASP252A, ASP252C, ASP311A, ASP311C, ASP314A, ASP314C, ASP371A, ASP371C, GLN20A, GLN20C, GLU22A, GLU22C, GLU25A, GLU25C, GLU27A, GLU27C, GLU364A, GLU364C, GLU58A, GLU58C, GLY238A, GLY238C, GLY246A, GLY246C, GLY257A, GLY257C, GLY278A, GLY278C, GLY280A, GLY280C, GLY313A, GLY313C, GLY397A, GLY397C, HIS241A, HIS241C, HIS362A, HIS362C, HIS398A, HIS398C, ILE23A, ILE23C, ILE255A, ILE255C, ILE259A, ILE259C, ILE309A, ILE309C, ILE382A, ILE382C, LEU243A, LEU243C, LEU247A, LEU247C, LEU254A, LEU254C, LEU279A, LEU279C, LEU446A, LEU446C, LEU449A, LEU449C, LYS18A, LYS18C, LYS258A, LYS258C, LYS277A, LYS277C, LYS312A, LYS312C, LYS335A, LYS335C, LYS367A, LYS367C, LYS380A, LYS380C, LYS447A, LYS447C, LYS448A, LYS448C, MET19A, MET19C, MET21A, MET21C, MET248A, MET248C, MET276A, MET276C, MET28A, MET28C, MET403A, MET403C, PHE16A, PHE16C, PHE253A, PHE253C, PHE315A, PHE315C, PHE401A, PHE401C, PHE405A, PHE405C, PRO15A, PRO244A, PRO244C, PRO29A, PRO29C, PRO368A, PRO368C, PRO399A, PRO399C, SER242A, SER242C, SER24A, SER24C, SER256A, SER256C, SER274A, SER274C, SER275A, SER275C, SER404A, SER404C, SER452A, SER452C, THR251A, THR251C, THR396A, THR396C, TYR233A, TYR233C, TYR237A, TYR237C, TYR86A, TYR86C, VAL236A, VAL236C, VAL339A, VAL339C, VAL366A, VAL366C, VAL370A, VAL370C, VAL402A, VAL402C, VAL57A, VAL57C
• A-D: ALA281A, ALA281D, ALA296A, ALA296D, ARG282A, ARG282D, ASN302A, ASN302D, GLU299A, GLU299D, GLY257A, GLY257D, GLY278A, GLY278D, GLY280A, GLY280D, GLY300A, GLY300D, ILE255A, ILE255D, ILE259A, ILE259D, ILE294A, ILE294D, ILE309A, ILE309D, LEU254A, LEU254D, LEU279A, LEU279D, LYS258A, LYS258D, LYS277A, LYS277D, LYS312A, LYS312D, MET276A, MET276D, MET298A, MET298D, PHE301A, PHE301D, SER256A, SER256D, TYR284A, TYR284D, VAL283A, VAL283D, VAL297A, VAL297D, VAL303A, VAL303D, VAL304A, VAL304D
• B-C: ALA281B, ALA281C, ALA296B, ALA296C, ARG282B, ARG282C, ASN302B, ASN302C, GLU299B, GLU299C, GLY257B, GLY257C, GLY278B, GLY278C, GLY280B, GLY280C, GLY300B, GLY300C, ILE255B, ILE255C, ILE259B, ILE259C, ILE294B, ILE294C, ILE309B, ILE309C, LEU254B, LEU254C, LEU279B, LEU279C, LYS258B, LYS258C, LYS277B, LYS277C, LYS312B, LYS312C, MET276B, MET276C, MET298B, MET298C, PHE301B, PHE301C, SER256B, SER256C, TYR284B, TYR284C, VAL283B, VAL283C, VAL297B, VAL297C, VAL303B, VAL303C, VAL304B, VAL304C
• B-D: ALA250B, ALA250D, ALA281B, ALA281D, ALA338B, ALA338D, ALA395B, ALA395D, ALA400B, ALA400D, ALA451B, ALA451D, ARG240B, ARG240D, ARG249B, ARG249D, ARG282B, ARG282D, ARG372B, ARG372D, ASN26B, ASN26D, ASN336B, ASN336D, ASN337B, ASN337D, ASN365B, ASN365D, ASN379D, ASN450B, ASN450D, ASP245B, ASP245D, ASP252B, ASP252D, ASP311B, ASP311D, ASP314B, ASP314D, ASP371B, ASP371D, CYS394B, GLN20B, GLN20D, GLU22B, GLU22D, GLU25B, GLU25D, GLU27B, GLU27D, GLU364B, GLU364D, GLU58B, GLU58D, GLY238B, GLY238D, GLY246B, GLY246D, GLY257B, GLY257D, GLY271B, GLY271D, GLY278B, GLY278D, GLY280B, GLY280D, GLY313B, GLY313D, GLY397B, GLY397D, HIS241B, HIS241D, HIS362B, HIS362D, HIS398B, HIS398D, ILE23B, ILE23D, ILE255B, ILE255D, ILE259B, ILE259D, ILE309B, ILE309D, ILE381D, ILE382B, ILE382D, LEU243B, LEU243D, LEU247B, LEU247D, LEU254B, LEU254D, LEU279B, LEU279D, LEU446B, LEU446D, LEU449B, LEU449D, LYS18B, LYS18D, LYS258B, LYS258D, LYS277B, LYS277D, LYS312B, LYS312D, LYS335B, LYS335D, LYS367B, LYS367D, LYS380B, LYS380D, LYS447B, LYS447D, LYS448B, LYS448D, MET19B, MET19D, MET21B, MET21D, MET248B, MET248D, MET276B, MET276D, MET28B, MET28D, MET403B, MET403D, PHE16B, PHE16D, PHE253B, PHE253D, PHE315B, PHE315D, PHE401B, PHE401D, PHE405B, PHE405D, PRO15B, PRO244B, PRO244D, PRO29B, PRO29D, PRO368B, PRO368D, PRO399B, PRO399D, SER242B, SER242D, SER24B, SER24D, SER256B, SER256D, SER274B, SER274D, SER275B, SER275D, SER404B, SER404D, SER452B, SER452D, THR251B, THR251D, THR396B, THR396D, TYR233B, TYR233D, TYR237B, TYR237D, TYR86B, TYR86D, VAL339B, VAL339D, VAL366B, VAL366D, VAL370B, VAL370D, VAL402B, VAL402D, VAL57B, VAL57D
• C-D: ALA227C, ALA227D, ALA293C, ALA293D, ALA296C, ALA296D, ALA442C, ALA442D, ALA451C, ALA451D, ARG207C, ARG207D, ARG240C, ARG240D, ARG478C, ARG478D, ASN223C, ASN223D, ASN225C, ASN225D, ASN302C, ASN302D, ASN322C, ASN322D, ASN450C, ASN450D, ASN459C, ASN459D, ASN467C, ASN467D, ASN475C, ASN475D, ASP226C, ASP226D, ASP234C, ASP234D, ASP267C, ASP267D, ASP289C, ASP289D, ASP307C, ASP307D, ASP324C, ASP324D, ASP348C, ASP348D, ASP438C, ASP438D, ASP457C, ASP457D, ASP458C, ASP458D, CYS263C, CYS263D, CYS292C, CYS292D, CYS461C, CYS461D, GLN231C, GLN231D, GLN295C, GLN295D, GLN351C, GLN351D, GLN460C, GLN460D, GLN462C, GLN462D, GLU287C, GLU287D, GLU299C, GLU299D, GLU308C, GLU308D, GLU349C, GLU349D, GLU439C, GLU439D, GLU455C, GLU455D, GLU476C, GLU476D, GLY238C, GLY238D, GLY264C, GLY264D, GLY266C, GLY266D, GLY269C, GLY269D, GLY300C, GLY300D, GLY321C, GLY321D, GLY465C, GLY465D, GLY470C, GLY470D, HIS241C, HIS241D, HIS330C, HIS330D, HIS345C, HIS345D, HIS436C, HIS436D, HIS445C, HIS445D, ILE285C, ILE285D, ILE288C, ILE288D, ILE291C, ILE291D, ILE294C, ILE294D, ILE326C, ILE326D, LEU206C, LEU206D, LEU306C, LEU306D, LEU432C, LEU432D, LEU433C, LEU433D, LEU437C, LEU437D, LEU443C, LEU443D, LEU446C, LEU446D, LEU449C, LEU449D, LEU453C, LEU453D, LEU456C, LEU456D, LEU464C, LEU464D, LYS165C, LYS165D, LYS209C, LYS209D, LYS210C, LYS210D, LYS213C, LYS213D, LYS230C, LYS230D, LYS232C, LYS232D, LYS270C, LYS270D, LYS277C, LYS277D, LYS327C, LYS327D, LYS435C, LYS435D, LYS440C, LYS440D, LYS447C, LYS448C, LYS448D, LYS468C, LYS468D, LYS473C, LYS473D, MET298C, MET298D, PHE301C, PHE301D, PHE346C, PHE346D, PHE401C, PHE401D, PHE405C, PHE405D, PHE463C, PHE463D, PHE472C, PHE472D, PRO290C, PRO290D, PRO399C, PRO399D, PRO471C, PRO471D, SER274C, SER274D, SER452C, SER452D, SER469C, SER469D, SER474C, SER474D, THR202C, THR202D, THR203C, THR203D, THR229C, THR229D, THR286C, THR286D, THR305C, THR305D, THR320C, THR320D, THR454C, THR454D, TYR233C, TYR233D, TYR237C, TYR237D, TYR265C, TYR265D, TYR444C, TYR444D, TYR477C, TYR477D, TYR479C, TYR479D, VAL224D, VAL228C, VAL228D, VAL236C, VAL236D, VAL268C, VAL268D, VAL297C, VAL297D, VAL303C, VAL303D, VAL304C, VAL304D, VAL323C, VAL323D, VAL325C, VAL325D, VAL402C, VAL402D, VAL441C, VAL441D, VAL466C, VAL466D