3KIE
crystal structure of adeno-associated virus serotype 3b
Total interactions analyzed 190
Total true interactions 51
Strongest Interaction Chains C-D
Int. Res. 342
Norm. En. per Res. -5.7339
Hub Node A(9)
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-B -90.1243 -207.3064 -415.218 -712.6487 140 41 2 15899 12 36 33
A-C -348.3822 -34.7845 -1536.35 -1919.5166 343 159 26 58758 5 65 64
A-D -336.5425 -37.2117 -1536.41 -1910.1642 341 149 28 58414 5 65 61
A-E -71.1255 -8.9069 -644.18 -724.2124 212 39 12 26088 1 16 17
A-F 0.0 0.0 -0.0036 -0.0036 5 0 0 6 0 0 0
A-G 0.0 0.0 -0.0056 -0.0056 7 0 0 8 0 0 0
A-H -79.2086 -8.0683 -663.709 -750.9859 215 49 12 26662 1 16 17
A-I 0.0 0.0 -8.2032 -8.2032 9 0 2 458 0 0 0
A-J 0.0 0.0 -8.2181 -8.2181 9 0 2 455 0 0 0
B-C -86.1789 -7.6722 -660.218 -754.0691 215 46 12 26550 1 16 17
B-G 0.0 0.0 -8.8349 -8.8349 11 0 2 474 0 0 0
B-H -328.0776 -35.5183 -1533.78 -1897.3759 340 151 26 58376 5 65 61
B-J 0.0 0.0 -0.0057 -0.0057 7 0 0 8 0 0 0
B-M 0.0 0.0 -0.0079 -0.0079 7 0 0 11 0 0 0
B-N -91.1859 -8.639 25 ALA386B, ARG245N, ARG404B, ASN334N, ASN335B, ASN407B, ASP219N, ASP295N, ASP327B, ASP327N, ASP368N, ASP716N, GLN259B, GLN319N, GLU396B, GLU546N, LYS258B, LYS666B, SER224N, SER400B, SER708N, THR337B, TRP228N, TYR397B, VAL221N
C-D -355.1953 -42.1807 -1563.61 -1960.986 342 159 26 58803 5 65 63
C-J -68.9477 -8.025 -641.726 -718.6987 215 40 12 26198 1 16 17
C-M 0.0 0.0 -0.0083 -0.0083 7 0 0 11 0 0 0
C-O -82.7784 -202.9493 30 ARG294C, ARG294O, ARG298C, ARG298O, ARG694C, ARG694O, ASN302C, ASN302O, ASP231C, ASP231O, ASP529C, ASP529O, ASP530C, ASP530O, GLN297C, GLN297O, GLN700C, GLU690C, GLU690O, GLU698C, GLU698O, LYS693C, LYS693O, LYS707C, LYS707O, SER692C, SER692O, THR702O, TRP695C, TRP695O
D-E -83.9844 -198.6022 -407.082 -689.6686 140 32 2 15518 12 34 33
D-H 0.0 0.0 -8.6486 -8.6486 10 0 2 474 0 0 0
D-K 0.0 0.0 -0.0076 -0.0076 7 0 0 10 0 0 0
D-O -73.2267 -7.9354 22 ALA386D, ARG245O, ARG404D, ASN334O, ASN335D, ASN407D, ASP219O, ASP327D, ASP327O, ASP368O, ASP716O, GLN259D, GLU396D, GLU546O, LYS258D, LYS666D, MET402D, SER224O, SER400D, SER708O, TRP228O, VAL221O
D-Q -83.0231 -8.8993 23 ALA386Q, ARG245D, ARG404Q, ASP219D, ASP295D, ASP327D, ASP327Q, ASP368D, ASP716D, GLN259Q, GLN319D, GLU396Q, GLU546D, LYS258Q, LYS666Q, MET402Q, SER224D, SER400Q, SER708D, THR337Q, TRP228D, TYR397Q, VAL221D
E-F -78.0443 -8.202 -643.16 -729.4063 212 35 12 26076 1 16 17
E-G 0.0 0.0 -0.0056 -0.0056 7 0 0 8 0 0 0
E-H 0.0 0.0 -0.0077 -0.0077 7 0 0 10 0 0 0
E-I -348.5774 -42.3866 -1551.86 -1942.824 341 152 27 58392 5 65 62
E-K 0.0 0.0 -7.9952 -7.9952 9 0 2 443 0 0 0
E-Q -353.7181 -40.9482 87 ALA357Q, ALA493Q, ALA550Q, ALA553Q, ALA581E, ARG389Q, ARG432E, ARG460E, ARG476E, ARG485Q, ARG514Q, ARG567E, ARG594E, ARG694E, ARG730E, ARG734E, ASN477E, ASN496Q, ASN497Q, ASN498Q, ASN500Q, ASN512Q, ASN696E, ASP269Q, ASP345Q, ASP431E, ASP439E, ASP495Q, ASP515Q, ASP529E, ASP598E, ASP598Q, ASP609E, ASP626Q, GLN359Q, GLN440E, GLN458E, GLN465E, GLN487Q, GLN585E, GLN599E, GLU347Q, GLU554Q, GLU564E, GLU565E, GLU575E, GLY355Q, GLY627Q, HIS271Q, HIS358Q, HIS421E, HIS426E, HIS510Q, HIS624Q, HIS628Q, HIS630E, ILE542Q, LEU380Q, LEU517Q, LEU634Q, LEU736E, LYS508Q, LYS528E, LYS621Q, LYS693E, MET605E, MET635Q, PHE392Q, PHE463E, PHE629Q, SER390Q, SER391Q, SER427E, SER459E, SER472E, SER507Q, SER587E, THR448E, THR579E, TRP607E, TRP695E, TYR397Q, TYR441E, TYR443E, TYR484Q, TYR509Q, TYR577E
F-G -69.8625 -8.7532 -634.028 -712.6436 215 35 12 25763 1 16 17
F-H 0.0 0.0 -0.0036 -0.0036 7 0 0 6 0 0 0
F-I -97.4492 -207.2678 -423.17 -727.887 140 37 2 15942 12 35 33
F-L 0.0 0.0 -9.0978 -9.0978 11 0 2 487 0 0 0
F-P -348.5607 -35.269 84 ALA357P, ALA550P, ALA553P, ALA581F, ARG389P, ARG432F, ARG460F, ARG476F, ARG485P, ARG514P, ARG567F, ARG594F, ARG694F, ARG730F, ARG734F, ASN477F, ASN496P, ASN497P, ASN498P, ASN500P, ASN512P, ASN696F, ASP269P, ASP345P, ASP431F, ASP439F, ASP495P, ASP515P, ASP529F, ASP598F, ASP598P, ASP609F, ASP626P, GLN359P, GLN440F, GLN449F, GLN458F, GLN465F, GLN487P, GLN585F, GLN599F, GLU347P, GLU554P, GLU565F, GLU575F, GLU698F, GLY355P, GLY627P, HIS271P, HIS358P, HIS421F, HIS426F, HIS510P, HIS624P, HIS628P, HIS630F, ILE542P, LEU380P, LEU517P, LEU634P, LEU736F, LYS508P, LYS528F, LYS621P, LYS693F, MET635P, PHE392P, PHE463F, SER390P, SER391P, SER422F, SER427F, SER472F, SER507P, SER587F, THR448F, THR579F, TRP607F, TRP695F, TYR397P, TYR441F, TYR443F, TYR509P, TYR577F
G-H -92.76 -8.6793 -646.242 -747.6813 216 44 12 26234 1 16 17
I-L 0.0 0.0 -0.0102 -0.0102 7 0 0 12 0 0 0
I-P -82.9266 -8.2692 24 ALA386P, ARG245I, ARG404P, ASN334I, ASN335P, ASP219I, ASP327I, ASP327P, ASP368I, ASP716I, GLN259P, GLU396P, GLU546I, LYS258P, LYS666P, MET402P, PRO655P, SER224I, SER400P, SER708I, THR337P, TRP228I, TYR674I, VAL221I
I-Q -350.3519 -40.2385 83 ALA357I, ALA550I, ALA553I, ARG389I, ARG432Q, ARG460Q, ARG485I, ARG514I, ARG567Q, ARG594Q, ARG694Q, ARG730Q, ARG734Q, ASN270I, ASN477Q, ASN496I, ASN497I, ASN498I, ASN500I, ASN512I, ASN691Q, ASN696Q, ASP269I, ASP345I, ASP431Q, ASP439Q, ASP495I, ASP515I, ASP529Q, ASP598I, ASP598Q, ASP609Q, ASP626I, GLN359I, GLN440Q, GLN458Q, GLN465Q, GLN487I, GLN585Q, GLN599Q, GLU347I, GLU554I, GLU564Q, GLU565Q, GLU575Q, GLY355I, GLY627I, HIS271I, HIS358I, HIS421Q, HIS426Q, HIS510I, HIS624I, HIS628I, HIS630Q, ILE542I, LEU380I, LEU517I, LEU634I, LEU736Q, LYS508I, LYS528Q, LYS621I, LYS693Q, MET605Q, MET635I, PHE392I, PHE463Q, PHE501I, PHE629I, SER390I, SER422Q, SER427Q, SER472Q, SER587Q, THR448Q, THR579Q, TRP607Q, TRP695Q, TYR397I, TYR441Q, TYR443Q, TYR577Q
I-R -94.1279 -7.7832 24 ALA386I, ARG245R, ARG404I, ASN334R, ASN335I, ASN407I, ASP219R, ASP327I, ASP327R, ASP368R, ASP716R, GLN259I, GLN319R, GLU396I, GLU546R, LYS258I, LYS666I, MET402I, SER224R, SER400I, SER708R, THR337I, TRP228R, VAL221R
J-M -68.5641 -8.1303 -458.428 -535.1224 160 34 7 17639 0 11 13
J-O -366.5806 -50.6844 91 ALA357J, ALA493J, ALA550J, ALA553J, ARG389J, ARG432O, ARG460O, ARG485J, ARG514J, ARG567O, ARG594O, ARG694O, ARG730O, ARG734O, ASN270J, ASN477O, ASN496J, ASN497J, ASN498J, ASN500J, ASN512J, ASN552J, ASN696O, ASN735O, ASP269J, ASP345J, ASP431O, ASP439O, ASP495J, ASP515J, ASP529O, ASP598J, ASP598O, ASP609O, ASP626J, GLN359J, GLN440O, GLN449O, GLN458O, GLN465O, GLN487J, GLN585O, GLN599O, GLU347J, GLU554J, GLU564O, GLU565O, GLU575O, GLU698O, GLY355J, GLY627J, HIS271J, HIS358J, HIS421O, HIS426O, HIS510J, HIS624J, HIS628J, HIS630O, ILE542J, LEU380J, LEU517J, LEU634J, LEU736O, LYS508J, LYS528O, LYS621J, LYS693O, MET605O, MET635J, PHE392J, PHE463O, PHE501J, PHE629J, SER390J, SER427O, SER459O, SER464O, SER472O, SER499J, SER587O, THR448O, THR579O, TRP607O, TRP695O, TYR393J, TYR397J, TYR424O, TYR441O, TYR443O, TYR577O
K-Q -85.7641 -7.1129 25 ALA386K, ARG245Q, ARG404K, ASN334Q, ASN335K, ASN407K, ASP219Q, ASP295Q, ASP327K, ASP327Q, ASP368Q, ASP716Q, GLN259K, GLN319Q, GLU396K, GLU546Q, LYS258K, LYS666K, SER224Q, SER400K, SER708Q, THR337K, TRP228Q, TYR397K, VAL221Q
K-R -346.4626 -36.2289 87 ALA357K, ALA493K, ALA550K, ALA553K, ARG389K, ARG432R, ARG460R, ARG485K, ARG514K, ARG567R, ARG594R, ARG694R, ARG730R, ARG734R, ASN270K, ASN477R, ASN496K, ASN497K, ASN498K, ASN500K, ASN512K, ASN691R, ASN696R, ASP269K, ASP345K, ASP431R, ASP439R, ASP495K, ASP515K, ASP529R, ASP598K, ASP598R, ASP609R, ASP626K, GLN359K, GLN440R, GLN458R, GLN465R, GLN487K, GLN585R, GLN599R, GLU347K, GLU554K, GLU565R, GLU575R, GLU698R, GLY355K, GLY627K, HIS271K, HIS358K, HIS421R, HIS426R, HIS510K, HIS624K, HIS628K, HIS630R, ILE542K, LEU380K, LEU517K, LEU634K, LEU736R, LYS508K, LYS528R, LYS621K, LYS693R, MET605R, MET635K, PHE392K, PHE463R, PHE501K, PHE629K, SER390K, SER427R, SER459R, SER472R, SER499K, SER587R, THR448R, THR548K, THR579R, TRP607R, TRP695R, TYR397K, TYR441R, TYR443R, TYR484K, TYR577R
K-S -66.3055 -8.2399 21 ALA386S, ARG245K, ARG404S, ASN334K, ASN335S, ASP219K, ASP327K, ASP327S, ASP368K, ASP716K, GLN259S, GLN319K, GLU396S, GLU546K, LYS258S, LYS666S, SER400S, SER708K, THR337S, TRP228K, VAL221K
L-P -71.7733 -8.5048 23 ALA386L, ARG245P, ARG404L, ASN334P, ASN335L, ASN407L, ASP219P, ASP327L, ASP327P, ASP368P, ASP716P, GLN259L, GLU396L, GLU546P, LYS258L, LYS666L, PRO655L, SER224P, SER400L, SER708P, TRP228P, TYR674P, VAL221P
L-T -71.1795 -8.7476 21 ALA386T, ARG245L, ARG404T, ASN334L, ASN335T, ASP219L, ASP327L, ASP327T, ASP368L, ASP716L, GLN259T, GLN319L, GLU396T, GLU546L, LYS258T, LYS666T, SER400T, SER708L, THR337T, TRP228L, VAL221L
M-N -61.688 -8.4415 23 ALA386N, ARG245M, ARG404N, ASN334M, ASN335N, ASP219M, ASP295M, ASP327M, ASP327N, ASP368M, ASP716M, GLN259N, GLN319M, GLU396N, GLU546M, LYS258N, LYS666N, SER400N, SER708M, THR337N, TRP228M, TYR397N, VAL221M
O-S -66.6811 -8.6793 23 ALA386O, ARG245S, ARG404O, ASN334S, ASN335O, ASN407O, ASP219S, ASP327O, ASP327S, ASP368S, ASP716S, GLN259O, GLN319S, GLU396O, GLU546S, LYS258O, LYS666O, SER224S, SER400O, SER708S, THR337O, TRP228S, VAL221S
Q-R -91.5335 -206.8305 32 ARG294Q, ARG294R, ARG298Q, ARG298R, ARG694Q, ARG694R, ASN302Q, ASN302R, ASP231Q, ASP231R, ASP529Q, ASP529R, ASP530Q, ASP530R, GLN297Q, GLN297R, GLN700Q, GLU690Q, GLU690R, GLU698Q, GLU698R, LYS693Q, LYS693R, LYS707Q, LYS707R, PRO697Q, SER692Q, SER692R, SER703R, THR702R, TRP695Q, TRP695R
R-T -71.6542 -8.5449 22 ALA386R, ARG245T, ARG404R, ASN334T, ASN335R, ASN407R, ASP219T, ASP327R, ASP327T, ASP368T, ASP716T, GLN259R, GLU396R, GLU546T, LYS258R, LYS666R, MET402R, SER224T, SER400R, SER708T, TRP228T, VAL221T