3SHM
structure-function analysis of receptor binding in adeno-associated virus serotype 6 (aav-6)
Total interactions analyzed 190
Total true interactions 45
Strongest Interaction Chains D-E
Int. Res. 340
Norm. En. per Res. -5.0857
Hub Node B(5)
Click on the Nodes or Edges in the network to see the details
Weak Strong
Width of edge <-> No. of inter. res.
All Interactions
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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 int. res.
A-G -77.9503 -12.6378 -615.702 -706.2901 201 38 13 24985 1 18 17
A-M -74.0141 -12.6684 -401.393 -488.0756 154 30 9 16968 1 13 13
B-C -77.9056 -12.5173 -619.776 -710.1989 200 41 13 25073 1 18 17
B-E 0.0 0.0 -0.0209 -0.0209 7 0 0 21 0 0 0
B-G -267.3211 -47.2538 -1416.75 -1731.3249 341 142 27 57436 4 64 62
B-H 0.0 0.0 -7.1509 -7.1509 11 0 2 460 0 0 1
B-N -73.3465 -12.7041 23 ALA224N, ALA387B, ALA709N, ARG245N, ARG405B, ASN227N, ASN408B, ASP369N, ASP716N, GLN259B, GLN320N, GLU397B, GLY222N, GLY407B, LYS258B, LYS666B, MET403B, SER401B, SER708N, THR338B, THR406N, TRP228N, VAL221N
C-E -92.612 -12.8541 -628.857 -734.3231 201 38 13 25127 1 18 17
C-G 0.0 0.0 -7.1415 -7.1415 11 0 2 457 0 0 1
D-E -257.0063 -46.0931 -1426.05 -1729.1494 340 140 27 57259 4 64 61
D-F 0.0 0.0 -6.8542 -6.8542 11 0 2 446 0 0 1
D-I -71.7879 -12.6415 -620.707 -705.1364 203 43 13 25062 1 18 17
D-J 0.0 0.0 -0.0998 -0.0998 7 0 0 48 0 0 0
D-L -87.4697 -12.651 -617.913 -718.0337 201 39 13 25009 1 18 17
E-I -50.6357 -163.6985 -349.966 -564.3002 136 25 2 14330 14 32 35
E-L 0.0 0.0 -6.7974 -6.7974 11 0 2 452 0 0 1
E-P -87.0943 -12.8485 25 ALA224E, ALA387P, ALA709E, ARG245E, ARG405P, ASN227E, ASN335E, ASN408P, ASP296E, ASP369E, ASP716E, GLN259P, GLU397P, GLY222E, GLY407P, LYS258P, LYS666P, MET403P, SER401P, SER708E, THR338P, THR406E, TRP228E, TYR398P, VAL221E
F-H -76.9748 -12.7298 -620.561 -710.2656 201 38 13 25005 1 18 17
F-I -242.5442 -47.0758 -1406.58 -1696.2 341 142 27 57477 4 65 61
F-K -92.2814 -12.8527 -626.27 -731.4041 202 40 13 25190 1 18 17
F-P -257.2348 -48.2515 68 ALA550F, ARG390F, ARG433P, ARG465P, ARG514F, ARG576P, ARG694P, ARG730P, ARG734P, ASN271F, ASN436P, ASN477P, ASN496F, ASN497F, ASN500F, ASN510F, ASN552F, ASP270F, ASP346F, ASP432P, ASP440P, ASP460P, ASP495F, ASP529P, ASP609P, ASP626F, GLN375F, GLN450P, GLN608P, GLU348F, GLU515F, GLU564P, GLU565P, GLU575P, GLU698P, GLY356F, GLY604P, HIS272F, HIS359F, HIS422P, HIS427P, HIS624F, HIS628F, HIS630P, ILE517F, ILE542F, LEU381F, LEU634F, LYS459P, LYS493F, LYS508F, LYS693P, MET635F, PHE393F, PHE463P, PHE577P, PHE629F, SER391F, SER423P, SER428P, SER472P, SER588P, THR449P, THR553F, THR579P, TRP695P, TYR444P, TYR484F
F-R -52.3257 -165.5533 26 ARG295F, ARG295R, ARG299F, ARG299R, ARG694F, ARG694R, ASN303F, ASN303R, ASP231F, ASP231R, ASP529F, ASP529R, ASP530F, ASP530R, GLN700F, GLU690F, GLU690R, GLU698F, GLU698R, LYS693F, LYS693R, LYS707F, LYS707R, SER692F, SER692R, THR702R
G-M 0.0 0.0 -0.0291 -0.0291 7 0 0 25 0 0 0
G-N -50.5893 -162.3413 26 ARG295G, ARG295N, ARG299G, ARG299N, ARG694G, ARG694N, ASN303G, ASN303N, ASP231G, ASP231N, ASP529G, ASP529N, ASP530G, ASP530N, GLN700G, GLU690G, GLU690N, GLU698G, GLU698N, LYS693G, LYS693N, LYS707G, LYS707N, SER692G, SER692N, THR702N
G-Q -83.998 -12.8819 25 ALA224G, ALA387Q, ALA709G, ARG245G, ARG405Q, ASN227G, ASN335G, ASN408Q, ASP296G, ASP369G, ASP716G, GLN259Q, GLU397Q, GLY222G, GLY407Q, LYS258Q, LYS666Q, MET403Q, SER401Q, SER708G, THR338Q, THR406G, TRP228G, TYR398Q, VAL221G
H-K 0.0 0.0 -0.0263 -0.0263 7 0 0 23 0 0 0
H-N -273.337 -47.8655 70 ALA550N, ARG390N, ARG433H, ARG465H, ARG514N, ARG576H, ARG694H, ARG730H, ARG734H, ASN271N, ASN436H, ASN477H, ASN496N, ASN497N, ASN500N, ASN510N, ASN691H, ASP270N, ASP346N, ASP432H, ASP440H, ASP460H, ASP495N, ASP529H, ASP609H, ASP626N, GLN375N, GLN450H, GLN608H, GLU348N, GLU515N, GLU564H, GLU565H, GLU575H, GLU698H, GLY356N, GLY549N, GLY604H, GLY627N, HIS272N, HIS359N, HIS422H, HIS427H, HIS624N, HIS628N, HIS630H, ILE517N, ILE542N, LEU381N, LEU634N, LYS459H, LYS493N, LYS508N, LYS693H, MET635N, PHE393N, PHE463H, PHE577H, PHE629N, SER391N, SER392N, SER428H, SER472H, SER588H, THR449H, THR553N, THR579H, TRP607H, TRP695H, TYR444H
H-O -81.5028 -12.6035 21 ALA224O, ALA387H, ALA709O, ARG245O, ARG405H, ASN227O, ASN408H, ASP369O, ASP716O, GLN259H, GLU397H, GLY222O, GLY407H, LYS258H, LYS666H, MET403H, SER401H, SER708O, THR406O, TRP228O, VAL221O
H-P -41.2343 -163.4727 24 ARG295H, ARG295P, ARG299H, ARG299P, ARG694H, ARG694P, ASN303H, ASN303P, ASP231H, ASP231P, ASP529H, ASP529P, ASP530H, ASP530P, GLN700H, GLU690H, GLU690P, GLU698H, GLU698P, LYS693H, LYS693P, LYS707H, LYS707P, THR702P
H-Q -264.4543 -46.4298 66 ALA550H, ARG390H, ARG433Q, ARG465Q, ARG514H, ARG576Q, ARG694Q, ARG730Q, ARG734Q, ASN271H, ASN436Q, ASN477Q, ASN496H, ASN497H, ASN500H, ASN510H, ASP270H, ASP346H, ASP432Q, ASP440Q, ASP460Q, ASP495H, ASP529Q, ASP609Q, ASP626H, GLN375H, GLN450Q, GLN608Q, GLU348H, GLU515H, GLU564Q, GLU565Q, GLU575Q, GLU698Q, GLY356H, GLY604Q, HIS272H, HIS359H, HIS422Q, HIS427Q, HIS624H, HIS628H, HIS630Q, ILE517H, ILE542H, LEU381H, LEU634H, LYS459Q, LYS493H, LYS508H, LYS693Q, MET635H, PHE393H, PHE463Q, PHE577Q, PHE629H, SER391H, SER428Q, SER472Q, SER588Q, THR380H, THR449Q, THR553H, THR579Q, TRP695Q, TYR444Q
I-J 0.0 0.0 -0.0264 -0.0264 7 0 0 25 0 0 0
I-L 0.0 0.0 -0.0257 -0.0257 7 0 0 23 0 0 0
I-P -259.2933 -47.9915 68 ALA550P, ARG390P, ARG433I, ARG465I, ARG514P, ARG576I, ARG694I, ARG730I, ARG734I, ASN271P, ASN436I, ASN477I, ASN496P, ASN497P, ASN500P, ASN510P, ASP270P, ASP346P, ASP432I, ASP440I, ASP460I, ASP495P, ASP529I, ASP609I, ASP626P, GLN375P, GLN450I, GLN608I, GLU348P, GLU515P, GLU564I, GLU565I, GLU575I, GLU698I, GLY356P, GLY549P, GLY604I, HIS272P, HIS359P, HIS422I, HIS427I, HIS624P, HIS628P, HIS630I, ILE517P, ILE542P, LEU381P, LEU634P, LYS459I, LYS493P, LYS508P, LYS693I, MET635P, PHE393P, PHE463I, PHE577I, PHE629P, SER391P, SER392P, SER428I, SER472I, SER588I, THR449I, THR553P, THR579I, TRP695I, TYR444I, TYR484P
I-R -90.675 -12.6236 25 ALA224R, ALA387I, ALA709R, ARG245R, ARG405I, ASN227R, ASN336I, ASN408I, ASP369R, ASP716R, GLN259I, GLU397I, GLY222R, GLY407I, LYS258I, LYS322R, LYS666I, MET403I, PRO655I, SER401I, SER708R, THR406R, TRP228R, TYR674R, VAL221R
J-L -114.1487 -18.2831 -689.308 -821.7398 216 92 16 28326 2 18 17
J-R -80.8488 -12.8476 19 ALA387R, ALA709J, ARG245J, ARG405R, ASP369J, ASP716J, GLN259R, GLN320J, GLU397R, GLY389R, GLY719J, LYS258R, LYS666R, SER401R, SER708J, THR338R, TRP228J, TYR705J, VAL221J
K-R -255.6769 -46.8528 67 ALA550K, ARG390K, ARG433R, ARG465R, ARG514K, ARG576R, ARG694R, ARG730R, ARG734R, ASN271K, ASN436R, ASN477R, ASN496K, ASN497K, ASN500K, ASN510K, ASP270K, ASP346K, ASP432R, ASP440R, ASP460R, ASP495K, ASP529R, ASP609R, ASP626K, GLN375K, GLN450R, GLN608R, GLU348K, GLU515K, GLU564R, GLU565R, GLU575R, GLU698R, GLY356K, GLY604R, HIS272K, HIS359K, HIS422R, HIS427R, HIS624K, HIS628K, HIS630R, ILE517K, ILE542K, LEU381K, LEU634K, LYS459R, LYS493K, LYS508K, LYS693R, MET635K, PHE393K, PHE463R, PHE577R, PHE629K, SER391K, SER423R, SER428R, SER472R, SER588R, THR449R, THR553K, THR579R, TRP695R, TYR444R, TYR484K
K-S -83.6622 -12.8274 25 ALA224K, ALA387S, ALA709K, ARG245K, ARG405S, ASN227K, ASN335K, ASN408S, ASP369K, ASP716K, GLN259S, GLU397S, GLY222K, GLY407S, LYS258S, LYS666S, MET403S, PRO655S, SER401S, SER708K, THR338S, THR406K, TRP228K, TYR674K, VAL221K
M-T -73.4559 -12.7171 21 ALA224T, ALA387M, ALA709T, ARG245T, ARG405M, ASN227T, ASN408M, ASP369T, ASP716T, GLN259M, GLU397M, GLY222T, GLY407M, LYS258M, LYS666M, MET403M, SER401M, SER708T, THR406T, TRP228T, VAL221T
N-P -76.4306 -12.3032 24 ALA224P, ALA387N, ALA709P, ARG245P, ARG405N, ASN408N, ASP369P, ASP716P, GLN259N, GLN320P, GLU397N, GLY222P, GLY407N, GLY719P, LYS258N, LYS666N, PRO655N, SER401N, SER708P, THR338N, THR406P, TRP228P, TYR674P, VAL221P
N-Q -245.9209 -47.033 67 ALA550Q, ARG390Q, ARG433N, ARG465N, ARG514Q, ARG576N, ARG694N, ARG730N, ARG734N, ASN271Q, ASN436N, ASN477N, ASN496Q, ASN497Q, ASN500Q, ASN510Q, ASP270Q, ASP346Q, ASP432N, ASP440N, ASP460N, ASP495Q, ASP529N, ASP609N, ASP626Q, GLN375Q, GLN450N, GLN608N, GLU348Q, GLU515Q, GLU564N, GLU565N, GLU575N, GLU698N, GLY356Q, GLY604N, HIS272Q, HIS359Q, HIS422N, HIS427N, HIS624Q, HIS628Q, HIS630N, ILE517Q, ILE542Q, LEU381Q, LEU634Q, LYS459N, LYS493Q, LYS508Q, LYS693N, MET635Q, PHE393Q, PHE463N, PHE577N, PHE629Q, SER391Q, SER392Q, SER428N, SER472N, SER588N, THR449N, THR553Q, THR579N, TRP695N, TYR444N, TYR484Q
O-Q -49.8268 -163.0669 26 ARG295O, ARG295Q, ARG299O, ARG299Q, ARG694O, ARG694Q, ASN303O, ASN303Q, ASP231O, ASP231Q, ASP529O, ASP529Q, ASP530O, ASP530Q, GLN700O, GLU690O, GLU690Q, GLU698O, GLU698Q, LYS693O, LYS693Q, LYS707O, LYS707Q, SER692O, SER692Q, THR702Q
O-S -72.3894 -12.9264 23 ALA224S, ALA387O, ALA709S, ARG245S, ARG405O, ASN227S, ASN408O, ASP369S, ASP716S, GLN259O, GLN320S, GLU397O, GLY222S, GLY407O, LYS258O, LYS666O, MET403O, SER401O, SER708S, THR338O, THR406S, TRP228S, VAL221S
O-T -245.0138 -46.659 67 ALA550T, ARG390T, ARG433O, ARG465O, ARG514T, ARG576O, ARG694O, ARG730O, ARG734O, ASN271T, ASN436O, ASN477O, ASN496T, ASN497T, ASN500T, ASN510T, ASP270T, ASP346T, ASP432O, ASP440O, ASP460O, ASP495T, ASP529O, ASP609O, ASP626T, GLN375T, GLN450O, GLN608O, GLU348T, GLU515T, GLU564O, GLU565O, GLU575O, GLU698O, GLY356T, GLY549T, GLY604O, HIS272T, HIS359T, HIS422O, HIS427O, HIS624T, HIS628T, HIS630O, ILE517T, ILE542T, LEU381T, LEU634T, LYS459O, LYS493T, LYS508T, LYS693O, MET635T, PHE393T, PHE463O, PHE577O, PHE629T, SER391T, SER392T, SER428O, SER472O, SER588O, THR449O, THR553T, THR579O, TRP695O, TYR444O
Q-T -88.1504 -12.6149 25 ALA224Q, ALA387T, ALA709Q, ARG245Q, ARG405T, ASN227Q, ASN335Q, ASN408T, ASP296Q, ASP369Q, ASP716Q, GLN259T, GLU397T, GLY222Q, GLY407T, LYS258T, LYS666T, MET403T, SER401T, SER708Q, THR338T, THR406Q, TRP228Q, TYR398T, VAL221Q