3KHD

crystal structure of pff1300w.

• Total interactions analyzed: 6
• Total true interactions: 4
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 90
  • Norm. En. per Res.: -2.6102
• Hub Node: A(2)

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	-76.9969	19.4141	-177.339	-234.9218	90	8	9	8253	0	11	13
A-C	-27.3429	11.3209	-490.689	-506.711	209	18	33	23333	2	50	41
B-D	-35.8135	-3.9352	-518.988	-558.7367	217	27	32	24878	3	54	43
C-D	-47.9115	20.918	-122.148	-149.1415	72	5	8	6369	0	7	12

Interface residues

• A-B: ALA405A, ALA405B, ALA407A, ALA407B, ALA410A, ALA410B, ALA414A, ALA414B, ALA419A, ALA419B, ALA499A, ALA499B, ARG408A, ARG408B, ARG479A, ARG479B, ASN512A, ASN512B, ASP475A, ASP475B, ASP495B, GLN403A, GLN403B, GLN418A, GLN418B, GLN518A, GLN518B, GLU404A, GLU404B, GLU412A, GLU412B, GLU520A, GLU520B, GLY494A, GLY494B, GLY509A, GLY509B, GLY510A, GLY510B, HIS501A, HIS501B, ILE400A, ILE400B, ILE417A, ILE417B, ILE478A, ILE478B, ILE482A, ILE482B, ILE498A, ILE498B, ILE500A, ILE500B, ILE503B, ILE519A, ILE519B, LEU513A, LEU513B, LYS515A, LYS515B, MET514A, MET514B, SER401A, SER401B, SER409A, SER409B, SER416A, SER416B, SER496A, SER496B, SER508A, SER508B, THR413A, THR413B, THR474A, THR474B, THR511A, THR511B, TYR389B, VAL402A, VAL402B, VAL406A, VAL406B, VAL497A, VAL497B, VAL507B, VAL516A, VAL516B, VAL517A, VAL517B
• A-C: ALA19A, ALA19C, ALA20A, ALA20C, ALA22A, ALA22C, ALA27A, ALA27C, ALA28A, ALA28C, ALA303A, ALA303C, ALA337A, ALA337C, ALA343A, ALA343C, ALA345A, ALA345C, ALA379A, ALA379C, ALA381A, ALA381C, ALA395A, ALA395C, ARG288A, ARG288C, ARG333A, ARG333C, ARG336A, ARG336C, ARG33A, ARG33C, ASN192A, ASN206A, ASN267A, ASN29A, ASN29C, ASN312A, ASN312C, ASN344A, ASN344C, ASN394A, ASN394C, ASN39C, ASN40A, ASN40C, ASP275A, ASP275C, ASP341A, ASP341C, ASP348A, ASP348C, ASP384C, CYS311A, CYS311C, CYS376A, CYS376C, CYS382A, CYS382C, GLN25A, GLN25C, GLN304A, GLN304C, GLN314A, GLN323A, GLN323C, GLN34A, GLN34C, GLN390A, GLN390C, GLU269A, GLU269C, GLU294A, GLU298A, GLU298C, GLU338A, GLU338C, GLU378A, GLU378C, GLU37A, GLU37C, GLU380A, GLU380C, GLU397C, GLY172A, GLY21A, GLY21C, GLY270A, GLY289A, GLY289C, GLY292A, GLY292C, GLY349A, GLY349C, HIS273A, ILE268A, ILE268C, ILE271A, ILE271C, ILE272A, ILE272C, ILE295A, ILE308A, ILE308C, ILE30A, ILE30C, ILE35A, ILE35C, ILE371A, ILE371C, ILE375A, ILE375C, ILE383C, ILE396A, ILE396C, LEU168A, LEU191A, LEU291A, LEU291C, LEU302A, LEU302C, LEU306A, LEU306C, LEU313A, LEU313C, LEU32A, LEU32C, LEU347A, LEU347C, LEU36A, LEU36C, LEU377A, LEU377C, LEU387A, LEU387C, LEU388A, LEU388C, LEU392A, LEU392C, LYS299A, LYS299C, LYS305A, LYS305C, LYS310A, LYS310C, LYS374A, LYS374C, LYS437A, LYS437C, LYS439A, LYS439C, MET24A, MET24C, MET293A, MET307A, MET307C, MET324A, MET324C, MET328A, MET372A, MET372C, PHE274A, PHE274C, PHE301A, PHE301C, PRO205A, PRO297A, PRO297C, PRO332A, PRO332C, PRO334A, PRO334C, PRO38A, PRO38C, SER173A, SER175A, SER23A, SER23C, SER26A, SER26C, SER296A, SER296C, SER309A, SER309C, SER373A, SER391A, SER391C, THR31A, THR31C, THR322A, THR322C, THR335A, THR335C, THR340A, THR340C, THR370A, THR370C, TYR389A, TYR389C, VAL300A, VAL300C, VAL339A, VAL339C, VAL342A, VAL342C, VAL346A, VAL346C, VAL393A, VAL393C
• B-D: ALA194B, ALA19B, ALA20B, ALA22B, ALA27B, ALA27D, ALA28B, ALA28D, ALA303B, ALA303D, ALA337B, ALA337D, ALA343B, ALA343D, ALA345B, ALA345D, ALA379B, ALA379D, ALA381B, ALA381D, ALA395B, ALA395D, ARG288B, ARG288D, ARG333B, ARG333D, ARG336B, ARG336D, ARG33B, ARG33D, ASN192B, ASN206B, ASN267B, ASN267D, ASN29B, ASN29D, ASN312B, ASN312D, ASN344B, ASN344D, ASN394B, ASN394D, ASN39D, ASN40B, ASN40D, ASP275B, ASP275D, ASP341B, ASP341D, ASP348B, ASP348D, ASP384B, ASP384D, CYS311B, CYS311D, CYS376B, CYS376D, CYS382B, CYS382D, GLN25B, GLN25D, GLN304B, GLN304D, GLN314B, GLN314D, GLN323B, GLN323D, GLN34B, GLN34D, GLN390B, GLN390D, GLU131B, GLU269B, GLU269D, GLU294B, GLU294D, GLU298B, GLU298D, GLU338B, GLU338D, GLU378B, GLU378D, GLU37B, GLU37D, GLU380B, GLU380D, GLY172B, GLY21B, GLY270B, GLY289B, GLY289D, GLY292B, GLY292D, GLY315B, GLY349B, GLY349D, HIS273B, ILE268B, ILE268D, ILE271B, ILE271D, ILE272B, ILE272D, ILE295B, ILE295D, ILE308B, ILE308D, ILE30B, ILE30D, ILE35B, ILE35D, ILE371B, ILE371D, ILE375B, ILE375D, ILE383B, ILE396B, ILE396D, LEU168B, LEU191B, LEU291B, LEU291D, LEU302B, LEU302D, LEU306B, LEU306D, LEU313B, LEU313D, LEU325D, LEU32B, LEU32D, LEU347B, LEU347D, LEU36B, LEU36D, LEU377B, LEU377D, LEU387B, LEU387D, LEU388B, LEU388D, LEU392B, LEU392D, LEU43B, LYS299B, LYS299D, LYS305B, LYS305D, LYS310B, LYS310D, LYS374B, LYS374D, LYS437B, LYS437D, LYS439B, LYS439D, MET24B, MET24D, MET293B, MET293D, MET307B, MET307D, MET324B, MET324D, MET328D, MET372B, MET372D, PHE274B, PHE301B, PHE301D, PRO205B, PRO297B, PRO297D, PRO332B, PRO332D, PRO334B, PRO334D, PRO38B, PRO38D, SER173B, SER175B, SER193B, SER23B, SER23D, SER26B, SER26D, SER296B, SER296D, SER309B, SER309D, SER373B, SER373D, SER391B, SER391D, THR31B, THR31D, THR322B, THR322D, THR335B, THR335D, THR340B, THR340D, THR370B, THR370D, TYR389B, TYR389D, VAL174B, VAL300B, VAL300D, VAL339B, VAL339D, VAL342B, VAL342D, VAL346B, VAL346D, VAL393B, VAL393D
• C-D: ALA405C, ALA405D, ALA407C, ALA407D, ALA410C, ALA410D, ALA414C, ALA414D, ALA419C, ALA419D, ALA499C, ALA499D, ARG408C, ARG408D, ASN512C, ASN512D, ASP495C, GLN403C, GLN403D, GLN418C, GLN518C, GLN518D, GLU404C, GLU404D, GLU412C, GLU412D, GLY494D, GLY502D, HIS501C, HIS501D, ILE400C, ILE400D, ILE417C, ILE417D, ILE478D, ILE498C, ILE498D, ILE500C, ILE500D, LEU513C, LEU513D, LYS504D, LYS515C, LYS515D, MET514C, MET514D, PRO399C, PRO399D, SER401C, SER401D, SER409C, SER409D, SER416C, SER416D, SER496C, SER496D, THR413C, THR413D, THR474C, THR511C, THR511D, TYR389D, VAL402C, VAL402D, VAL406C, VAL406D, VAL497C, VAL497D, VAL516C, VAL516D, VAL517C, VAL517D