2C9G

the quasi-atomic model of the adenovirus type 3 penton base dodecahedron

• Total interactions analyzed: 10
• Total true interactions: 10
• Strongest Interaction:
  • Chains: A-E
  • Int. Res.: 276
  • Norm. En. per Res.: -2.9179
• Hub Node: A(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
A-B	-71.0341	-86.6782	-648.996	-806.7083	277	76	17	29830	9	67	58
A-C	0.0	8.963	-0.0745	8.8885	6	0	0	10	0	0	1
A-D	0.0	8.9614	-0.0745	8.887	6	0	0	10	0	0	1
A-E	-65.1633	-86.8298	-653.334	-805.3271	276	73	17	29838	9	67	58
B-C	-82.9306	-86.8161	-640.798	-810.5447	280	79	17	29884	9	67	58
B-D	0.0	8.9641	-0.0746	8.8895	6	0	0	10	0	0	1
B-E	0.0	8.9592	-0.0744	8.8848	6	0	0	10	0	0	1
C-D	-60.0161	-86.7254	-644.499	-791.2405	279	80	17	29850	9	67	58
C-E	0.0	8.9639	-0.0745	8.8894	6	0	0	10	0	0	1
D-E	-59.8909	-86.6798	-651.444	-798.0147	278	80	17	29796	9	67	58

Interface residues

• A-B: ALA106B, ALA187B, ALA235A, ALA465A, ALA480A, ALA480B, ALA510B, ALA522A, ALA522B, ALA546A, ALA557B, ALA61B, ALA80B, ARG197B, ARG216A, ARG254A, ARG262A, ARG264A, ARG420A, ARG452A, ARG498B, ARG507B, ARG52A, ARG547A, ARG548A, ARG564A, ARG564B, ARG569A, ARG56B, ARG68B, ASN112B, ASN130B, ASN133B, ASN135B, ASN141B, ASN174B, ASN186B, ASN214A, ASN233A, ASN257A, ASN411A, ASN459A, ASN477A, ASN477B, ASN519B, ASN53B, ASN74B, ASN83B, ASN86B, ASN90B, ASN98B, ASN99B, ASP100B, ASP122A, ASP122B, ASP182B, ASP220A, ASP429A, ASP447A, ASP478A, ASP478B, ASP525A, ASP545A, ASP65B, ASP73B, ASP78B, ASP87B, CYS426A, CYS432A, CYS551B, GLN109B, GLN198B, GLN265A, GLN268A, GLN436A, GLN446A, GLN456A, GLN479B, GLN484A, GLN488A, GLN503A, GLN85B, GLN97B, GLU136B, GLU172B, GLU190B, GLU234A, GLU269A, GLU435A, GLU466A, GLU518B, GLY120A, GLY121A, GLY173B, GLY218A, GLY224A, GLY229A, GLY260A, GLY270A, GLY433A, GLY464A, GLY50B, GLY51B, GLY527A, GLY537B, GLY559B, HIS118A, HIS128B, HIS191B, HIS237A, HIS471A, HIS494B, HIS526A, HIS88B, ILE111B, ILE126B, ILE261A, ILE486B, ILE513A, ILE513B, ILE535B, ILE55B, ILE560B, ILE96B, LEU113B, LEU123A, LEU127B, LEU170B, LEU183B, LEU193B, LEU217A, LEU225A, LEU408A, LEU424A, LEU425A, LEU467A, LEU468A, LEU485A, LEU485B, LEU492B, LEU523B, LEU529A, LEU531A, LEU558B, LEU566A, LEU60B, LEU63B, LEU71B, LEU82B, LEU92B, LYS124B, LYS142B, LYS194B, LYS263A, LYS473A, LYS473B, LYS556B, LYS75B, MET131B, MET138A, MET179B, MET227A, MET445A, PHE137B, PHE219A, PHE236A, PHE267A, PHE451A, PHE475A, PHE475B, PHE496B, PHE64B, PHE91B, PRO132B, PRO171B, PRO221A, PRO228A, PRO238A, PRO266A, PRO415A, PRO428A, PRO448A, PRO461A, PRO469A, PRO511A, PRO511B, PRO521B, PRO530A, PRO552B, PRO563B, PRO62B, SER176B, SER434A, SER453A, SER458A, SER472A, SER474A, SER474B, SER483B, SER491B, SER517B, SER54B, SER562B, SER567A, SER568A, SER58B, SER76B, SER81B, SER89B, THR110B, THR129B, THR169B, THR180B, THR223A, THR232A, THR427A, THR431A, THR450A, THR454A, THR490B, THR493B, THR49B, THR512A, THR512B, THR514A, THR514B, THR515A, THR515B, THR524A, THR528A, THR66B, THR67B, TRP119A, TRP406A, TRP439A, TYR101B, TYR175B, TYR192B, TYR231A, TYR407A, TYR410A, TYR412A, TYR438A, TYR476A, TYR476B, TYR482A, TYR482B, TYR553B, TYR555B, TYR57B, TYR70B, TYR84B, VAL134B, VAL189B, VAL195B, VAL222A, VAL226A, VAL230A, VAL289A, VAL437A, VAL449A, VAL462A, VAL463A, VAL470A, VAL470B, VAL481A, VAL495B, VAL516B, VAL520B, VAL554B, VAL561B, VAL565A, VAL565B, VAL69B, VAL72B, VAL79B, VAL95B
• A-C: ASP478A, ASP478C, LYS473A, LYS473C, PHE475C, TYR476A
• A-D: ASP478A, ASP478D, LYS473A, LYS473D, PHE475A, TYR476D
• A-E: ALA106A, ALA187A, ALA235E, ALA465E, ALA480A, ALA480E, ALA510A, ALA522A, ALA522E, ALA546E, ALA557A, ALA61A, ALA80A, ARG197A, ARG216E, ARG254E, ARG262E, ARG264E, ARG420E, ARG452E, ARG498A, ARG507A, ARG52E, ARG547E, ARG548E, ARG564A, ARG564E, ARG569E, ARG56A, ARG68A, ASN112A, ASN130A, ASN133A, ASN135A, ASN141A, ASN174A, ASN186A, ASN214E, ASN233E, ASN257E, ASN411E, ASN459E, ASN477A, ASN477E, ASN519A, ASN53A, ASN74A, ASN83A, ASN86A, ASN90A, ASN98A, ASN99A, ASP100A, ASP122A, ASP122E, ASP182A, ASP220E, ASP429E, ASP447E, ASP478A, ASP478E, ASP525E, ASP545E, ASP65A, ASP73A, ASP78A, ASP87A, CYS426E, CYS432E, CYS551A, GLN109A, GLN198A, GLN265E, GLN268E, GLN436E, GLN446E, GLN456E, GLN479A, GLN484E, GLN488E, GLN503E, GLN85A, GLN97A, GLU136A, GLU172A, GLU190A, GLU234E, GLU269E, GLU435E, GLU466E, GLU518A, GLY120E, GLY121E, GLY173A, GLY218E, GLY224E, GLY229E, GLY260E, GLY270E, GLY433E, GLY464E, GLY50A, GLY51A, GLY527E, GLY537A, GLY559A, HIS118E, HIS128A, HIS191A, HIS237E, HIS471E, HIS494A, HIS526E, HIS88A, ILE111A, ILE126A, ILE261E, ILE486A, ILE513A, ILE513E, ILE535A, ILE55A, ILE560A, ILE96A, LEU113A, LEU123E, LEU127A, LEU170A, LEU183A, LEU193A, LEU217E, LEU225E, LEU408E, LEU424E, LEU425E, LEU467E, LEU468E, LEU485A, LEU485E, LEU492A, LEU523A, LEU529E, LEU531E, LEU558A, LEU566E, LEU60A, LEU63A, LEU71A, LEU82A, LEU92A, LYS124A, LYS142A, LYS194A, LYS263E, LYS473A, LYS473E, LYS556A, LYS75A, MET131A, MET138E, MET179A, MET227E, MET445E, PHE137A, PHE219E, PHE236E, PHE267E, PHE451E, PHE475A, PHE475E, PHE496A, PHE64A, PHE91A, PRO132A, PRO171A, PRO221E, PRO228E, PRO238E, PRO266E, PRO415E, PRO428E, PRO448E, PRO461E, PRO469E, PRO511E, PRO521A, PRO530E, PRO552A, PRO563A, PRO62A, SER176A, SER434E, SER453E, SER458E, SER472E, SER474A, SER474E, SER483A, SER491A, SER517A, SER54A, SER562A, SER567E, SER568E, SER58A, SER76A, SER81A, SER89A, THR110A, THR129A, THR169A, THR180A, THR223E, THR232E, THR427E, THR431E, THR450E, THR454E, THR490A, THR493A, THR49A, THR512A, THR512E, THR514A, THR514E, THR515A, THR515E, THR524E, THR528E, THR66A, THR67A, TRP119E, TRP406E, TRP439E, TYR101A, TYR175A, TYR192A, TYR231E, TYR407E, TYR410E, TYR412E, TYR438E, TYR476A, TYR476E, TYR482A, TYR482E, TYR553A, TYR555A, TYR57A, TYR70A, TYR84A, VAL134A, VAL189A, VAL195A, VAL222E, VAL226E, VAL230E, VAL289E, VAL437E, VAL449E, VAL462E, VAL463E, VAL470A, VAL470E, VAL481E, VAL495A, VAL516A, VAL520A, VAL554A, VAL561A, VAL565A, VAL565E, VAL69A, VAL72A, VAL79A, VAL95A
• B-C: ALA106C, ALA187C, ALA235B, ALA465B, ALA480B, ALA480C, ALA510C, ALA522B, ALA522C, ALA546B, ALA557C, ALA61C, ALA80C, ARG197C, ARG216B, ARG254B, ARG262B, ARG264B, ARG420B, ARG452B, ARG498C, ARG507C, ARG52B, ARG547B, ARG548B, ARG564B, ARG564C, ARG569B, ARG56C, ARG68C, ASN112C, ASN130C, ASN133C, ASN135C, ASN141C, ASN174C, ASN186C, ASN214B, ASN233B, ASN257B, ASN411B, ASN459B, ASN477B, ASN477C, ASN519C, ASN53C, ASN74C, ASN83C, ASN86C, ASN90C, ASN98C, ASN99C, ASP100C, ASP122B, ASP122C, ASP182C, ASP220B, ASP429B, ASP447B, ASP478B, ASP478C, ASP525B, ASP545B, ASP65C, ASP73C, ASP78C, ASP87C, CYS426B, CYS432B, CYS551C, GLN109C, GLN198C, GLN265B, GLN268B, GLN436B, GLN446B, GLN456B, GLN479C, GLN484B, GLN488B, GLN503B, GLN85C, GLN97C, GLU136C, GLU172C, GLU190C, GLU234B, GLU269B, GLU435B, GLU466B, GLU518C, GLY120B, GLY121B, GLY173C, GLY218B, GLY224B, GLY229B, GLY260B, GLY270B, GLY433B, GLY464B, GLY50C, GLY51C, GLY527B, GLY537C, GLY559C, HIS118B, HIS128C, HIS191C, HIS237B, HIS471B, HIS494C, HIS526B, HIS88C, ILE111C, ILE126C, ILE261B, ILE486C, ILE513B, ILE513C, ILE535C, ILE55C, ILE560C, ILE96C, LEU113C, LEU123B, LEU127C, LEU170C, LEU183C, LEU193C, LEU217B, LEU225B, LEU408B, LEU424B, LEU425B, LEU467B, LEU468B, LEU485B, LEU485C, LEU492C, LEU523C, LEU529B, LEU531B, LEU558C, LEU566B, LEU60C, LEU63C, LEU71C, LEU82C, LEU92C, LYS124C, LYS142C, LYS194C, LYS263B, LYS473B, LYS473C, LYS556C, LYS75C, MET131C, MET138B, MET179C, MET227B, MET445B, PHE137C, PHE219B, PHE236B, PHE267B, PHE451B, PHE475B, PHE475C, PHE496C, PHE64C, PHE91C, PRO132C, PRO171C, PRO221B, PRO228B, PRO238B, PRO266B, PRO415B, PRO428B, PRO448B, PRO461B, PRO469B, PRO511B, PRO511C, PRO521C, PRO530B, PRO552C, PRO563C, PRO62C, SER176C, SER434B, SER440B, SER453B, SER458B, SER472B, SER474B, SER474C, SER483C, SER491C, SER517C, SER54C, SER562C, SER567B, SER568B, SER58C, SER76C, SER81C, SER89C, THR110C, THR129C, THR169C, THR178C, THR180C, THR223B, THR232B, THR427B, THR431B, THR450B, THR454B, THR490C, THR493C, THR49C, THR512B, THR512C, THR514B, THR514C, THR515B, THR515C, THR524B, THR528B, THR66C, THR67C, THR94C, TRP119B, TRP406B, TRP439B, TYR101C, TYR175C, TYR192C, TYR231B, TYR407B, TYR410B, TYR412B, TYR438B, TYR476B, TYR476C, TYR482B, TYR482C, TYR553C, TYR555C, TYR57C, TYR70C, TYR84C, VAL134C, VAL189C, VAL195C, VAL222B, VAL226B, VAL230B, VAL289B, VAL437B, VAL449B, VAL462B, VAL463B, VAL470B, VAL470C, VAL481B, VAL495C, VAL516C, VAL520C, VAL554C, VAL561C, VAL565B, VAL565C, VAL69C, VAL72C, VAL79C, VAL95C
• B-D: ASP478B, ASP478D, LYS473B, LYS473D, PHE475D, TYR476B
• B-E: ASP478B, ASP478E, LYS473B, LYS473E, PHE475B, TYR476E
• C-D: ALA106D, ALA187D, ALA235C, ALA465C, ALA480C, ALA480D, ALA510D, ALA522C, ALA522D, ALA546C, ALA557D, ALA61D, ALA80D, ARG197D, ARG216C, ARG254C, ARG262C, ARG264C, ARG420C, ARG452C, ARG498D, ARG507D, ARG52C, ARG547C, ARG548C, ARG564C, ARG564D, ARG569C, ARG56D, ARG68D, ASN112D, ASN130D, ASN133D, ASN135D, ASN141D, ASN174D, ASN186D, ASN214C, ASN233C, ASN257C, ASN411C, ASN459C, ASN477C, ASN477D, ASN519D, ASN53D, ASN74D, ASN83D, ASN86D, ASN90D, ASN98D, ASN99D, ASP100D, ASP122C, ASP122D, ASP182D, ASP220C, ASP429C, ASP447C, ASP478C, ASP478D, ASP525C, ASP545C, ASP65D, ASP73D, ASP78D, ASP87D, CYS426C, CYS432C, CYS551D, GLN109D, GLN198D, GLN265C, GLN268C, GLN436C, GLN446C, GLN456C, GLN479D, GLN484C, GLN488C, GLN503C, GLN85D, GLN97D, GLU136D, GLU172D, GLU190D, GLU234C, GLU269C, GLU435C, GLU466C, GLU518D, GLY120C, GLY121C, GLY173D, GLY218C, GLY224C, GLY229C, GLY260C, GLY270C, GLY433C, GLY464C, GLY50D, GLY51D, GLY527C, GLY537D, GLY559D, HIS118C, HIS128D, HIS191D, HIS237C, HIS471C, HIS494D, HIS526C, HIS88D, ILE111D, ILE126D, ILE261C, ILE486D, ILE513C, ILE513D, ILE535D, ILE55D, ILE560D, ILE96D, LEU113D, LEU123C, LEU127D, LEU170D, LEU183D, LEU193D, LEU217C, LEU225C, LEU408C, LEU424C, LEU425C, LEU467C, LEU468C, LEU485C, LEU485D, LEU492D, LEU523D, LEU529C, LEU531C, LEU558D, LEU566C, LEU60D, LEU63D, LEU71D, LEU82D, LEU92D, LYS124D, LYS142D, LYS194D, LYS263C, LYS473C, LYS473D, LYS556D, LYS75D, MET131D, MET138C, MET179D, MET227C, MET445C, PHE137D, PHE219C, PHE236C, PHE267C, PHE451C, PHE475C, PHE475D, PHE496D, PHE64D, PHE91D, PRO132D, PRO171D, PRO221C, PRO228C, PRO238C, PRO266C, PRO415C, PRO428C, PRO448C, PRO461C, PRO469C, PRO511C, PRO521D, PRO530C, PRO552D, PRO563D, PRO62D, SER176D, SER434C, SER453C, SER458C, SER472C, SER474C, SER474D, SER483D, SER491D, SER517D, SER54D, SER562D, SER567C, SER568C, SER58D, SER76D, SER81D, SER89D, THR110D, THR129D, THR169D, THR178D, THR180D, THR223C, THR232C, THR427C, THR431C, THR450C, THR454C, THR490D, THR493D, THR49D, THR512C, THR512D, THR514C, THR514D, THR515C, THR515D, THR524C, THR528C, THR66D, THR67D, THR93D, THR94D, TRP119C, TRP406C, TRP439C, TYR101D, TYR175D, TYR192D, TYR231C, TYR407C, TYR410C, TYR412C, TYR438C, TYR476C, TYR476D, TYR482C, TYR482D, TYR553D, TYR555D, TYR57D, TYR70D, TYR84D, VAL134D, VAL189D, VAL195D, VAL222C, VAL226C, VAL230C, VAL289C, VAL437C, VAL449C, VAL462C, VAL463C, VAL470C, VAL470D, VAL481C, VAL495D, VAL516D, VAL520D, VAL554D, VAL561D, VAL565C, VAL565D, VAL69D, VAL72D, VAL79D, VAL95D
• C-E: ASP478C, ASP478E, LYS473C, LYS473E, PHE475E, TYR476C
• D-E: ALA106E, ALA235D, ALA465D, ALA480D, ALA480E, ALA510E, ALA522D, ALA522E, ALA546D, ALA557E, ALA61E, ALA80E, ARG197E, ARG216D, ARG254D, ARG262D, ARG264D, ARG420D, ARG452D, ARG498E, ARG507E, ARG52D, ARG547D, ARG548D, ARG564D, ARG564E, ARG569D, ARG56E, ARG68E, ASN112E, ASN130E, ASN133E, ASN135E, ASN141E, ASN174E, ASN186E, ASN214D, ASN233D, ASN257D, ASN411D, ASN459D, ASN477D, ASN477E, ASN519E, ASN53E, ASN74E, ASN83E, ASN86E, ASN90E, ASN98E, ASN99E, ASP100E, ASP122D, ASP122E, ASP182E, ASP220D, ASP429D, ASP447D, ASP478D, ASP478E, ASP525D, ASP545D, ASP65E, ASP73E, ASP78E, ASP87E, CYS426D, CYS432D, CYS551E, GLN109E, GLN198E, GLN265D, GLN268D, GLN436D, GLN446D, GLN456D, GLN479E, GLN484D, GLN488D, GLN503D, GLN85E, GLN97E, GLU136E, GLU172E, GLU190E, GLU234D, GLU269D, GLU435D, GLU466D, GLU518E, GLY120D, GLY121D, GLY173E, GLY218D, GLY224D, GLY229D, GLY260D, GLY270D, GLY433D, GLY464D, GLY50E, GLY51E, GLY527D, GLY537E, GLY559E, HIS118D, HIS128E, HIS191E, HIS237D, HIS471D, HIS494E, HIS526D, HIS88E, ILE111E, ILE126E, ILE261D, ILE486E, ILE513D, ILE513E, ILE535E, ILE55E, ILE560E, ILE96E, LEU113E, LEU123D, LEU127E, LEU170E, LEU183E, LEU193E, LEU217D, LEU225D, LEU408D, LEU424D, LEU425D, LEU467D, LEU468D, LEU485D, LEU485E, LEU492E, LEU523E, LEU529D, LEU531D, LEU558E, LEU566D, LEU60E, LEU63E, LEU71E, LEU82E, LEU92E, LYS124E, LYS142E, LYS194E, LYS263D, LYS473D, LYS473E, LYS556E, LYS75E, MET131E, MET138D, MET179E, MET227D, MET445D, PHE137E, PHE219D, PHE236D, PHE267D, PHE451D, PHE475D, PHE475E, PHE496E, PHE64E, PHE91E, PRO132E, PRO171E, PRO221D, PRO228D, PRO238D, PRO266D, PRO415D, PRO428D, PRO448D, PRO461D, PRO469D, PRO511D, PRO521E, PRO530D, PRO552E, PRO563E, PRO62E, SER176E, SER434D, SER453D, SER458D, SER472D, SER474D, SER474E, SER483E, SER491E, SER517E, SER54E, SER562E, SER567D, SER568D, SER58E, SER76E, SER81E, SER89E, THR110E, THR129E, THR169E, THR180E, THR223D, THR232D, THR423D, THR427D, THR431D, THR450D, THR454D, THR490E, THR493E, THR49E, THR512D, THR512E, THR514D, THR514E, THR515D, THR515E, THR524D, THR528D, THR66E, THR67E, THR93E, THR94E, TRP119D, TRP406D, TRP439D, TYR101E, TYR175E, TYR192E, TYR231D, TYR407D, TYR410D, TYR412D, TYR438D, TYR476D, TYR476E, TYR482D, TYR482E, TYR553E, TYR555E, TYR57E, TYR70E, TYR84E, VAL134E, VAL189E, VAL195E, VAL222D, VAL226D, VAL230D, VAL289D, VAL437D, VAL449D, VAL462D, VAL463D, VAL470D, VAL470E, VAL481D, VAL495E, VAL516E, VAL520E, VAL554E, VAL561E, VAL565D, VAL565E, VAL69E, VAL72E, VAL79E, VAL95E