3CHN

solution structure of human secretory iga1

• Total interactions analyzed: 45
• Total true interactions: 15
• Strongest Interaction:
  • Chains: B-C
  • Int. Res.: 35
  • Norm. En. per Res.: -0.3111
• Hub Node: B(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
L-A	0.0	0.0	-2.8781	-2.8781	83	0	0	883	0	0	0
M-B	0.0	0.0	-2.6555	-2.6555	80	0	0	859	0	0	0
N-D	0.0	0.0	-2.9479	-2.9479	80	0	0	881	0	0	0
O-C	0.0	0.0	-2.7197	-2.7197	82	0	0	848	0	0	0
A-B	0.0	0.0	11.8659	11.8659	54	26	0	1041	0	0	0
A-D	0.0	0.0	-0.0992	-0.0992	5	0	0	47	0	0	0
A-C	0.0	0.0	83.3244	83.3244	29	52	0	957	0	0	0
B-D	0.0	0.0	-0.4235	-0.4235	8	0	0	85	0	0	0
B-C	0.0	0.0	-10.8868	-10.8868	35	1	0	791	0	0	0
B-J	0.0	0.0	-3.2836	-3.2836	20	0	0	344	0	0	0
B-S	0.0	0.0	548.395	548.395	127	141	0	4456	0	0	0
D-C	0.0	0.0	11.9986	11.9986	56	26	0	1060	0	0	0
D-J	0.0	0.0	-0.3268	-0.3268	11	0	0	105	0	0	0
D-S	0.0	0.0	513.618	513.618	103	221	0	5430	0	0	0
J-S	0.0	0.0	652.874	652.874	104	153	0	4395	0	0	0

Interface residues

• L-A: ALA32L, ALA34L, ALA43L, ARG173A, ARG45A, ARG45L, ASN174A, ASN92L, ASP110A, ASP180A, ASP50L, CYS136A, CYS214L, GLN114A, GLN124L, GLN160L, GLN44A, GLN63A, GLN89L, GLN90L, GLU108A, GLU123L, GLU161L, GLU213L, GLU47A, GLU55L, GLY100L, GLY101L, GLY113A, GLY115A, GLY99L, ILE117L, LEU133A, LEU135A, LEU175L, LEU33L, LEU46A, LEU46L, LEU96L, LYS106A, LYS42L, PHE109A, PHE116L, PHE118L, PHE131A, PHE175A, PHE209L, PHE91L, PHE98L, PRO119L, PRO120L, PRO132A, PRO176A, PRO177A, PRO44L, PRO95L, SER107A, SER121L, SER134A, SER137A, SER162L, SER174L, SER176L, SER178A, SER189A, SER62A, SER93L, THR138A, THR164L, THR188A, THR228A, THR97L, TRP112A, TRP48A, TYR111A, TYR49L, TYR61A, TYR87L, TYR94L, TYR96A, VAL115L, VAL145A, VAL163L
• M-B: ALA32M, ALA34M, ALA43M, ARG173B, ARG45B, ARG45M, ASN174B, ASN92M, ASP110B, CYS136B, CYS214M, GLN114B, GLN124M, GLN139B, GLN160M, GLN44B, GLN89M, GLN90M, GLU108B, GLU123M, GLU161M, GLU213M, GLU47B, GLY100M, GLY101M, GLY113B, GLY115B, GLY50B, GLY99M, LEU133B, LEU135B, LEU175M, LEU33M, LEU46B, LEU46M, LEU96M, LYS106B, LYS42M, MET49B, PHE109B, PHE116M, PHE118M, PHE131B, PHE175B, PHE209M, PHE91M, PHE98M, PRO119M, PRO120M, PRO132B, PRO176B, PRO177B, PRO44M, PRO95M, SER107B, SER121M, SER134B, SER137B, SER162M, SER174M, SER176M, SER178B, SER189B, SER227B, SER62B, SER93M, THR138B, THR164M, THR188B, THR228B, THR97M, TRP112B, TRP48B, TYR111B, TYR49M, TYR61B, TYR94M, VAL115M, VAL145B, VAL163M
• N-D: ALA32N, ALA34N, ALA43N, ARG173D, ARG45D, ARG45N, ASN174D, ASN92N, ASP110D, ASP50N, CYS136D, CYS214N, GLN114D, GLN124N, GLN160N, GLN44D, GLN63D, GLN89N, GLN90N, GLU108D, GLU123N, GLU161N, GLU213N, GLU47D, GLU55N, GLY100N, GLY101N, GLY113D, GLY115D, GLY99N, LEU133D, LEU135D, LEU175N, LEU33N, LEU46D, LEU46N, LEU96N, LYS106D, LYS42N, MET49D, PHE109D, PHE116N, PHE118N, PHE131D, PHE175D, PHE209N, PHE91N, PHE98N, PRO119N, PRO120N, PRO132D, PRO176D, PRO177D, PRO44N, PRO95N, SER107D, SER121N, SER134D, SER137D, SER162N, SER174N, SER176N, SER178D, SER189D, SER62D, SER93N, THR138D, THR164N, THR228D, THR97N, TRP112D, TRP48D, TYR111D, TYR49N, TYR61D, TYR87N, TYR94N, VAL115N, VAL145D, VAL163N
• O-C: ALA32O, ALA34O, ALA43O, ARG173C, ARG45C, ARG45O, ASN174C, ASN92O, ASP110C, ASP50O, CYS136C, CYS214O, GLN114C, GLN124O, GLN139C, GLN160O, GLN44C, GLN63C, GLN89O, GLN90O, GLU108C, GLU123O, GLU161O, GLU213O, GLU47C, GLU55O, GLY100O, GLY101O, GLY113C, GLY115C, GLY99O, LEU133C, LEU135C, LEU175O, LEU33O, LEU46C, LEU46O, LEU96O, LYS106C, LYS42O, MET49C, PHE109C, PHE116O, PHE118O, PHE131C, PHE175C, PHE209O, PHE91O, PHE98O, PRO119O, PRO120O, PRO132C, PRO176C, PRO177C, PRO44O, PRO95O, SER107C, SER121O, SER134C, SER137C, SER162O, SER174O, SER176O, SER178C, SER189C, SER62C, SER93O, THR138C, THR164O, THR188C, THR228C, THR97O, TRP112C, TRP48C, TYR111C, TYR49O, TYR61C, TYR87O, TYR94O, VAL115O, VAL145C, VAL163O
• A-B: ALA402A, ALA402B, ALA415A, ARG404B, CYS244A, CYS244B, CYS245A, CYS245B, CYS302A, CYS302B, CYS304A, CYS304B, GLN405B, GLU360A, GLU360B, GLU361A, GLU361B, GLY303A, GLY303B, HIS246A, HIS353A, HIS353B, HIS460A, HIS460B, LEU301A, LEU301B, LEU354A, LEU354B, LEU355A, LEU355B, LEU399A, PRO242A, PRO242B, PRO356A, PRO356B, PRO357A, PRO357B, PRO358A, PRO358B, SER241A, SER241B, SER243A, SER243B, SER359A, SER359B, SER403A, SER403B, THR400A, THR417A, THR417B, THR459A, TRP401A, TRP401B, VAL416A
• A-D: GLU360D, GLY456A, LYS457A, PRO458A, SER359D
• A-C: ALA455A, ALA455C, ARG453A, ASN462A, ASN462C, ASP452A, ASP452C, GLY456A, GLY456C, HIS353C, HIS460A, HIS460C, ILE451A, ILE451C, LEU354C, LEU454A, LEU454C, LYS449C, LYS457A, LYS457C, PRO458A, PRO458C, SER464C, THR450C, THR459A, THR459C, VAL461A, VAL461C, VAL463C
• B-D: ALA455B, ALA455D, GLY456B, GLY456D, LEU454B, LYS457B, LYS457D, PRO458D
• B-C: ALA363B, ALA423B, ALA424B, ALA424C, ALA455C, ARG453C, ASN365B, ASP426B, ASP426C, ASP431C, ASP452C, GLU360B, GLU361B, GLU366B, GLU425B, GLU425C, GLY389C, GLY430C, GLY456C, LEU362B, LEU364B, LEU454C, LYS428B, LYS428C, LYS429B, LYS429C, LYS457C, PRO357B, PRO358B, SER359B, SER390C, THR432C, TRP427B, TRP427C, VAL368B
• B-J: ALA468B, ASN403J, ASN462B, GLU399J, GLU400J, GLY385J, GLY402J, GLY404J, GLY456B, HIS460B, LEU397J, LEU398J, LYS457B, PRO401J, PRO458B, SER464B, THR459B, VAL461B, VAL463B, VAL465B
• B-S: ALA204S, ALA265B, ALA292B, ALA315B, ALA42S, ALA468B, ARG144S, ARG172S, ARG174S, ARG31S, ARG99S, ASN133S, ASN140S, ASN166S, ASN209S, ASN211S, ASN266B, ASN30S, ASN97S, ASP104S, ASP160S, ASP176S, ASP206S, ASP207S, ASP471B, CYS314B, CYS474B, CYS92S, GLN142S, GLN178S, GLN294B, GLN388B, GLN391B, GLN448B, GLU139S, GLU264B, GLU316B, GLU392B, GLU469B, GLU8S, GLY100S, GLY163S, GLY171S, GLY205S, GLY262B, GLY289B, GLY295B, GLY313B, GLY389B, GLY472B, GLY6S, GLY73S, GLY93S, GLY95S, ILE132S, ILE159S, ILE173S, ILE177S, ILE189S, ILE4S, ILE96S, LEU101S, LEU147S, LEU157S, LEU175S, LEU311B, LEU387B, LEU393B, LEU94S, LYS143S, LYS145S, LYS290B, LYS322B, LYS91S, MET467B, PHE103S, PHE185S, PHE324B, PHE5S, PRO113S, PRO167S, PRO25S, PRO26S, PRO286B, PRO296B, PRO312B, PRO317B, PRO394B, PRO3S, PRO7S, SER102S, SER146S, SER161S, SER162S, SER186S, SER208S, SER263B, SER287B, SER288B, SER28S, SER291B, SER2S, SER390B, SER464B, SER98S, THR131S, THR170S, THR27S, THR285B, THR473B, TRP318B, TYR164S, TYR169S, TYR23S, TYR24S, TYR475B, VAL158S, VAL165S, VAL187S, VAL188S, VAL293B, VAL29S, VAL310B, VAL463B, VAL465B, VAL466B, VAL470B
• D-C: ALA402C, ALA402D, CYS244C, CYS244D, CYS245C, CYS245D, CYS302C, CYS302D, CYS304C, CYS304D, GLN405C, GLN405D, GLU360C, GLU360D, GLU361C, GLU361D, GLY303C, GLY303D, HIS246C, HIS246D, HIS353C, HIS353D, HIS460C, HIS460D, LEU301C, LEU301D, LEU354C, LEU354D, LEU355C, LEU355D, LEU399C, LEU399D, PRO242C, PRO242D, PRO356C, PRO356D, PRO357C, PRO357D, PRO358C, PRO358D, SER241C, SER241D, SER243C, SER243D, SER359C, SER359D, SER403C, SER403D, THR400C, THR400D, THR417C, THR417D, THR459D, TRP401C, TRP401D, VAL416D
• D-J: ARG336J, ASN403J, GLU400J, GLY404J, GLY456D, LEU352J, LYS457D, PHE406J, PRO458D, SER464D, THR405J
• D-S: ALA265D, ALA292D, ALA315D, ALA372S, ALA468D, ALA487S, ALA498S, ARG376S, ARG507S, ASN266D, ASN319D, ASN374S, ASN501S, ASN505S, ASN514S, ASP471D, ASP492S, CYS314D, CYS326D, CYS464S, CYS474D, CYS478S, CYS502S, CYS526S, GLN294D, GLN373S, GLN486S, GLN491S, GLU264D, GLU316D, GLU370S, GLU458S, GLU469D, GLU474S, GLU493S, GLY262D, GLY289D, GLY295D, GLY313D, GLY321D, GLY371S, GLY375S, GLY472D, GLY494S, GLY527S, HIS320D, LEU259D, LEU267D, LEU311D, LEU341D, LEU460S, LEU488S, LEU508S, LEU511S, LEU513S, LYS290D, LYS322D, LYS343D, LYS461S, LYS475S, LYS479S, LYS497S, PHE324D, PHE499S, PRO286D, PRO312D, PRO317D, PRO463S, PRO489S, PRO495S, SER263D, SER287D, SER288D, SER291D, SER309D, SER342D, SER490S, SER496S, SER510S, THR268D, THR283D, THR285D, THR323D, THR325D, THR327D, THR340D, THR459S, THR473D, THR512S, TRP284D, TRP318D, TRP369S, TRP477S, TRP525S, TYR475D, TYR476S, TYR524S, VAL293D, VAL310D, VAL462S, VAL470D, VAL500S, VAL509S
• J-S: ALA197S, ALA215S, ALA302S, ALA323S, ALA350J, ALA372J, ALA389J, ARG172S, ARG193S, ARG254S, ARG304S, ARG376J, ARG394J, ASN166S, ASN168S, ASN214S, ASN374J, ASN411J, ASP196S, ASP216S, ASP301S, ASP382J, ASP417J, CYS202S, CYS377J, GLN150S, GLN199S, GLN218S, GLN255S, GLN322S, GLN373J, GLN390J, GLN412J, GLU225S, GLU370J, GLU384J, GLU392J, GLY152S, GLY171S, GLY198S, GLY303S, GLY318S, GLY343J, GLY346J, GLY371J, GLY375J, GLY385J, GLY393J, ILE151S, ILE159S, ILE173S, ILE321S, ILE363J, ILE409J, LEU147S, LEU153S, LEU157S, LEU192S, LEU194S, LEU201S, LEU217S, LEU226S, LEU379J, LEU380J, LEU395J, LEU397J, LEU398J, LEU410J, LEU413J, LYS149S, LYS364J, LYS388J, PRO155S, PRO167S, PRO320S, PRO378J, SER195S, SER319S, SER347J, SER348J, SER383J, SER396J, THR170S, THR414J, TRP324S, TRP369J, TRP386J, TYR148S, TYR154S, TYR169S, TYR200S, TYR228S, TYR305S, TYR365J, TYR391J, VAL156S, VAL158S, VAL165S, VAL219S, VAL227S, VAL349J, VAL381J, VAL387J, VAL408J