3FCS

structure of complete ectodomain of integrin aiibb3

• Total interactions analyzed: 6
• Total true interactions: 3
• Strongest Interaction:
  • Chains: C-D
  • Int. Res.: 338
  • Norm. En. per Res.: -2.2903
• 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	-87.4909	-46.3091	89.2509	-44.549	368	33	15	29639	7	100	100
A-C	0.0	46.8253	-61.3042	-14.4789	38	1	1	2629	0	18	20
C-D	-89.113	-27.1996	-657.792	-774.1046	338	30	12	27629	4	99	99

Interface residues

• A-B: ALA122A, ALA172B, ALA185A, ALA218B, ALA252B, ALA257B, ALA263B, ALA286A, ALA310A, ALA318A, ALA323A, ALA359A, ALA416A, ALA607B, ALA662A, ALA757A, ALA762A, ALA901A, ALA958A, ALA95A, ARG165A, ARG214B, ARG216B, ARG261B, ARG317A, ARG320A, ARG355A, ARG360B, ARG402A, ARG41A, ARG489B, ARG498B, ARG512A, ARG516A, ARG519A, ARG520A, ARG530B, ARG553A, ARG559A, ARG563B, ARG597A, ARG661A, ARG666B, ARG671A, ARG751A, ARG900A, ARG90A, ARG957A, ASN114A, ASN215B, ASN227A, ASN269B, ASN313B, ASN316B, ASN320B, ASN654B, ASN659B, ASN675A, ASN691A, ASN753A, ASP163A, ASP179B, ASP217B, ASP232A, ASP259B, ASP288B, ASP319A, ASP361B, ASP484B, ASP511A, ASP512B, ASP524B, ASP546B, ASP552B, ASP560A, ASP565B, ASP606B, ASP662B, CYS167A, CYS495B, CYS501B, CYS508B, CYS521B, CYS528B, CYS544B, CYS547B, CYS588B, CYS601B, CYS604B, CYS608B, CYS655B, CYS663B, CYS674A, CYS687B, CYS688B, CYS959A, GLN18A, GLN267B, GLN284A, GLN301B, GLN319B, GLN483B, GLN492B, GLN497B, GLN513A, GLN517A, GLN590B, GLN593A, GLN595A, GLN821A, GLN85A, GLN921A, GLN954A, GLU120A, GLU121A, GLU123A, GLU168A, GLU229A, GLU297B, GLU323B, GLU324A, GLU356B, GLU358B, GLU364B, GLU475B, GLU476B, GLU490B, GLU500B, GLU522B, GLU534B, GLU646A, GLU667A, GLU686B, GLU688A, GLU749A, GLU781A, GLU785A, GLY170A, GLY187A, GLY188A, GLY193A, GLY233A, GLY260B, GLY264B, GLY271B, GLY293B, GLY327B, GLY414A, GLY441A, GLY465B, GLY491B, GLY499B, GLY518A, GLY533B, GLY538B, GLY545B, GLY592B, GLY595B, GLY690A, GLY690B, GLY752A, GLY898A, GLY92A, HIS112A, HIS255B, HIS291A, HIS509B, HIS591A, HIS782A, HIS787A, ILE167B, ILE256B, ILE265B, ILE325B, ILE416B, ILE673A, LEU116A, LEU173B, LEU192A, LEU258B, LEU262B, LEU264A, LEU292B, LEU294B, LEU299B, LEU312A, LEU317B, LEU322A, LEU324B, LEU345A, LEU346A, LEU352A, LEU357B, LEU362B, LEU366B, LEU368B, LEU383B, LEU467B, LEU502B, LEU562A, LEU663A, LEU672A, LEU704A, LEU750A, LEU759A, LEU786A, LEU919A, LEU956A, LYS124A, LYS253B, LYS298B, LYS321A, LYS354B, LYS384B, LYS514A, LYS532B, LYS600B, LYS612B, LYS658B, LYS689B, LYS694A, LYS779A, MET165B, MET227B, MET285A, MET295B, MET314A, MET535B, MET660A, MET902A, PHE160A, PHE171A, PHE191A, PHE21A, PHE223B, PHE231A, PHE289A, PHE370B, PHE414B, PHE419A, PHE513B, PHE526B, PHE558A, PHE610B, PHE669A, PHE755A, PHE87A, PRO109A, PRO126A, PRO163B, PRO169B, PRO170B, PRO186A, PRO219B, PRO228A, PRO258A, PRO268B, PRO290B, PRO311A, PRO326B, PRO363B, PRO379A, PRO40A, PRO488B, PRO493B, PRO515A, PRO564A, PRO591B, PRO602B, PRO605B, PRO692A, PRO756A, SER152A, SER162B, SER168B, SER172A, SER173A, SER22A, SER238A, SER261A, SER287A, SER291B, SER292A, SER300B, SER316A, SER322B, SER344A, SER358A, SER367B, SER385B, SER401A, SER420A, SER474B, SER496B, SER510B, SER511B, SER527B, SER537B, SER563A, SER593B, SER754A, SER758A, SER96A, THR119A, THR125A, THR254B, THR259A, THR263A, THR285B, THR286B, THR296B, THR415B, THR561B, THR566B, THR603B, THR609B, THR656B, THR783A, THR904A, TRP110A, TRP113A, TRP235A, TRP260A, TRP262A, TRP553B, TYR164B, TYR166A, TYR166B, TYR178B, TYR190A, TYR230A, TYR234A, TYR237A, TYR288A, TYR289B, TYR313A, TYR318B, TYR321B, TYR353A, TYR380A, TYR440A, TYR520B, TYR556B, TYR557B, TYR594B, TYR657B, TYR659A, TYR784A, VAL127A, VAL156A, VAL161B, VAL266B, VAL314B, VAL325A, VAL359B, VAL419B, VAL494B, VAL507B, VAL529B, VAL566A, VAL653B, VAL664B, VAL665B, VAL666A, VAL760A, VAL761A, VAL903A, VAL951A
• A-C: ALA469A, ALA469C, ALA556A, ALA556C, ASN467A, ASN467C, ASP554A, ASP554C, ASP557A, ASP557C, ASP605A, ASP605C, ASP606A, ASP606C, CYS473A, CYS473C, GLU555A, GLU555C, GLU604A, GLU604C, LYS471A, LYS471C, PRO468A, PRO468C, PRO481A, PRO481C, SER472A, SER472C, SER483A, SER483C, THR480A, THR480C, VAL470A, VAL470C, VAL474A, VAL474C, VAL482A, VAL482C
• C-D: ALA122C, ALA172D, ALA185C, ALA218D, ALA252D, ALA257D, ALA263D, ALA286C, ALA310C, ALA318C, ALA323C, ALA359C, ALA416C, ALA607D, ALA662C, ALA757C, ALA901C, ALA95C, ARG165C, ARG214D, ARG216D, ARG261D, ARG317C, ARG320C, ARG355C, ARG360D, ARG402C, ARG41C, ARG489D, ARG498D, ARG512C, ARG516C, ARG519C, ARG520C, ARG530D, ARG553C, ARG559C, ARG563D, ARG597C, ARG661C, ARG671C, ARG751C, ARG900C, ARG90C, ASN114C, ASN215D, ASN227C, ASN269D, ASN313D, ASN316D, ASN320D, ASN675C, ASN691C, ASN753C, ASP163C, ASP179D, ASP217D, ASP232C, ASP259D, ASP288D, ASP319C, ASP361D, ASP484D, ASP511C, ASP512D, ASP524D, ASP546D, ASP552D, ASP560C, ASP565D, ASP606D, CYS167C, CYS495D, CYS501D, CYS503D, CYS508D, CYS528D, CYS542D, CYS544D, CYS547D, CYS588D, CYS601D, CYS604D, CYS608D, CYS674C, GLN18C, GLN267D, GLN284C, GLN301D, GLN319D, GLN483D, GLN492D, GLN497D, GLN513C, GLN517C, GLN590D, GLN593C, GLN595C, GLN821C, GLU120C, GLU121C, GLU123C, GLU168C, GLU229C, GLU297D, GLU323D, GLU324C, GLU356D, GLU358D, GLU364D, GLU475D, GLU476D, GLU490D, GLU500D, GLU522D, GLU534D, GLU646C, GLU667C, GLU688C, GLU749C, GLU785C, GLY170C, GLY187C, GLY188C, GLY193C, GLY233C, GLY260D, GLY264D, GLY293D, GLY327D, GLY414C, GLY441C, GLY465D, GLY491D, GLY499D, GLY504D, GLY518C, GLY533D, GLY545D, GLY592D, GLY595D, GLY668C, GLY690C, GLY752C, GLY898C, GLY92C, HIS112C, HIS255D, HIS291C, HIS509D, HIS539D, HIS591C, HIS782C, HIS787C, ILE167D, ILE256D, ILE265D, ILE325D, ILE416D, ILE673C, LEU116C, LEU173D, LEU192C, LEU258D, LEU262D, LEU264C, LEU292D, LEU294D, LEU299D, LEU312C, LEU317D, LEU322C, LEU324D, LEU345C, LEU346C, LEU352C, LEU357D, LEU362D, LEU366D, LEU368D, LEU383D, LEU467D, LEU502D, LEU562C, LEU663C, LEU672C, LEU704C, LEU750C, LEU786C, LYS124C, LYS253D, LYS298D, LYS321C, LYS354D, LYS384D, LYS514C, LYS532D, LYS561C, LYS600D, LYS694C, MET165D, MET227D, MET285C, MET295D, MET314C, MET535D, MET660C, MET693C, MET902C, PHE160C, PHE171C, PHE191C, PHE21C, PHE223D, PHE231C, PHE289C, PHE370D, PHE414D, PHE419C, PHE513D, PHE526D, PHE558C, PHE610D, PHE669C, PHE755C, PHE87C, PRO109C, PRO126C, PRO163D, PRO169D, PRO170D, PRO186C, PRO219D, PRO228C, PRO258C, PRO268D, PRO290D, PRO311C, PRO326D, PRO343C, PRO363D, PRO379C, PRO40C, PRO488D, PRO493D, PRO515C, PRO564C, PRO591D, PRO602D, PRO605D, PRO692C, PRO756C, SER152C, SER162D, SER168D, SER172C, SER173C, SER22C, SER238C, SER261C, SER287C, SER291D, SER292C, SER300D, SER316C, SER322D, SER344C, SER358C, SER367D, SER385D, SER401C, SER420C, SER474D, SER496D, SER510D, SER511D, SER527D, SER543D, SER563C, SER593D, SER754C, SER96C, THR119C, THR125C, THR254D, THR259C, THR263C, THR285D, THR286D, THR296D, THR415D, THR566D, THR603D, THR609D, THR783C, THR904C, TRP110C, TRP113C, TRP235C, TRP260C, TRP262C, TRP553D, TYR164D, TYR166C, TYR166D, TYR178D, TYR190C, TYR230C, TYR234C, TYR237C, TYR288C, TYR289D, TYR313C, TYR318D, TYR321D, TYR353C, TYR380C, TYR440C, TYR556D, TYR557D, TYR594D, TYR659C, TYR784C, VAL115C, VAL127C, VAL156C, VAL161D, VAL266D, VAL314D, VAL359D, VAL419D, VAL494D, VAL507D, VAL529D, VAL566C, VAL666C, VAL903C, VAL951C