3KIC
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. -6.0136
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 -85.6648 -205.6947 -410.691 -702.0505 142 40 2 15888 13 36 32
A-C -375.0683 -28.6339 -1582.87 -1986.5722 342 158 30 59358 4 66 63
A-D -384.7479 -29.3212 -1598.76 -2012.829 342 154 29 59143 4 66 63
A-E -87.3795 -9.6622 -654.477 -751.5187 213 41 12 26479 1 16 17
A-F 0.0 0.0 -0.0074 -0.0074 5 0 0 8 0 0 0
A-G 0.0 0.0 -0.0101 -0.0101 6 0 0 10 0 0 0
A-H -68.508 -10.9629 -663.436 -742.907 215 45 12 26699 1 16 17
A-I 0.0 0.0 -8.6086 -8.6086 11 1 2 460 0 0 0
A-J 0.0 0.0 -9.0129 -9.0129 11 1 2 462 0 0 0
B-C -81.766 -8.0378 -671.31 -761.1139 214 39 12 26603 1 16 17
B-G 0.0 0.0 -8.5514 -8.5514 12 1 2 481 0 0 0
B-H -354.5727 -37.4876 -1588.43 -1980.4903 343 150 30 59350 4 66 63
B-J 0.0 0.0 -0.0041 -0.0041 6 0 0 7 0 0 0
B-M 0.0 0.0 -0.0104 -0.0104 6 0 0 11 0 0 0
B-N -96.4035 -7.9798 22 ALA386B, ARG245N, ARG404B, ASN407B, ASP219N, ASP295N, ASP327B, ASP327N, ASP368N, ASP716N, GLN259B, GLN319N, GLU396B, GLU546N, LYS258B, LYS666B, SER224N, SER400B, SER708N, THR337B, TRP228N, TYR397B
C-D -374.8806 -39.4951 -1642.28 -2056.6557 342 164 27 59697 4 66 64
C-J -69.3089 -8.2009 -639.578 -717.0879 214 35 12 26095 1 16 17
C-M 0.0 0.0 -0.0042 -0.0042 6 0 0 7 0 0 0
C-O -85.2337 -204.8531 28 ARG294C, ARG294O, ARG298C, ARG298O, ARG694C, ARG694O, ASP231C, ASP231O, ASP529C, ASP529O, ASP530C, ASP530O, GLN297C, GLN297O, GLN700C, GLU690C, GLU690O, GLU698C, GLU698O, LYS693C, LYS693O, LYS707C, LYS707O, SER692C, SER692O, THR702O, TRP695C, TRP695O
D-E -80.4144 -202.7004 -418.512 -701.6268 140 34 2 15825 14 36 32
D-H 0.0 0.0 -8.7394 -8.7394 12 1 2 492 0 0 0
D-K 0.0 0.0 -0.0077 -0.0077 6 0 0 9 0 0 0
D-O -87.8709 -8.4393 22 ALA386D, ARG245O, ARG404D, ASN407D, ASP219O, ASP295O, ASP327D, ASP327O, ASP368O, ASP716O, GLN259D, GLU396D, GLU546O, LYS258D, LYS666D, MET402D, SER224O, SER400D, SER708O, TRP228O, TYR397D, VAL221O
D-Q -74.9705 -10.12 20 ALA386Q, ARG245D, ARG404Q, ASP219D, ASP295D, ASP327D, ASP327Q, ASP368D, ASP716D, GLN259Q, GLU396Q, GLU546D, LYS258Q, LYS666Q, MET402Q, SER224D, SER400Q, SER708D, TRP228D, TYR397Q
E-F -91.5313 -8.2717 -653.18 -752.983 212 37 12 26121 1 16 17
E-G 0.0 0.0 -0.0099 -0.0099 6 0 0 10 0 0 0
E-H 0.0 0.0 -0.0106 -0.0106 6 0 0 11 0 0 0
E-I -378.3772 -30.0496 -1597.56 -2005.9868 343 144 28 59004 4 66 63
E-K 0.0 0.0 -8.6325 -8.6325 11 1 2 446 0 0 0
E-Q -356.7259 -28.5543 90 ALA357Q, ALA493Q, ALA550Q, ALA553Q, ARG389Q, ARG432E, ARG460E, ARG476E, ARG485Q, ARG514Q, ARG567E, ARG594E, ARG694E, ARG730E, ARG734E, ASN435E, ASN477E, ASN496Q, ASN497Q, ASN498Q, ASN500Q, ASN512Q, ASN583E, ASN691E, ASN696E, ASP269Q, ASP345Q, ASP431E, ASP439E, ASP495Q, ASP529E, ASP598E, ASP598Q, ASP609E, ASP626Q, GLN349Q, GLN359Q, GLN374Q, GLN440E, GLN449E, GLN458E, GLN465E, GLN487Q, GLN585E, GLU347Q, GLU554Q, GLU565E, GLU575E, GLU698E, 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, SER499Q, SER587E, THR448E, THR579E, TRP607E, TRP695E, TYR397Q, TYR441E, TYR443E, TYR484Q, TYR509Q, TYR577E
F-G -83.5536 -8.8651 -640.496 -732.9147 213 29 12 26020 1 16 17
F-H 0.0 0.0 -0.0038 -0.0038 5 0 0 6 0 0 0
F-I -89.1251 -205.0507 -419.829 -714.0048 140 35 2 15936 14 36 32
F-L 0.0 0.0 -8.4371 -8.4371 12 1 2 483 0 0 0
F-P -363.4675 -29.3701 86 ALA357P, ALA550P, ALA553P, ARG389P, ARG432F, ARG460F, ARG476F, ARG485P, ARG514P, ARG567F, ARG594F, ARG694F, ARG730F, ARG734F, ASN435F, ASN477F, ASN496P, ASN497P, ASN498P, ASN500P, ASN512P, ASN583F, ASN691F, ASN696F, ASP269P, ASP345P, ASP431F, ASP439F, ASP495P, ASP529F, ASP598F, ASP598P, ASP609F, ASP626P, GLN349P, GLN359P, GLN374P, GLN440F, GLN449F, GLN458F, GLN465F, GLN487P, GLN585F, GLN599F, GLU347P, GLU554P, GLU565F, GLU575F, GLU698F, GLY355P, GLY627P, HIS271P, HIS358P, HIS421F, HIS426F, HIS510P, HIS624P, HIS628P, HIS630F, ILE542P, LEU517P, LEU634P, LEU736F, LYS508P, LYS528F, LYS693F, MET605F, MET635P, PHE392P, PHE463F, PHE629P, SER390P, SER391P, SER422F, SER472F, SER507P, SER587F, THR448F, THR579F, TRP607F, TRP695F, TYR397P, TYR441F, TYR443F, TYR509P, TYR577F
G-H -100.7672 -9.2178 -647.561 -757.546 213 36 12 26121 1 16 17
I-L 0.0 0.0 -0.0104 -0.0104 6 0 0 11 0 0 0
I-P -85.0532 -8.4601 21 ALA386P, ARG245I, ARG404P, ASP219I, ASP327I, ASP327P, ASP368I, ASP716I, GLN259P, GLU396P, GLU546I, LYS258P, LYS666P, MET402P, PRO655P, SER224I, SER400P, SER708I, TRP228I, TYR674I, VAL221I
I-Q -377.9794 -28.6176 88 ALA357I, ALA550I, ALA553I, ARG389I, ARG432Q, ARG460Q, ARG485I, ARG514I, ARG567Q, ARG594Q, ARG694Q, ARG730Q, ARG734Q, ASN270I, ASN435Q, ASN477Q, ASN496I, ASN497I, ASN498I, ASN500I, ASN512I, ASN552I, ASN583Q, ASN691Q, ASN696Q, ASP269I, ASP345I, ASP431Q, ASP439Q, ASP495I, ASP529Q, ASP598I, ASP598Q, ASP609Q, ASP626I, GLN349I, GLN359I, GLN374I, GLN440Q, GLN449Q, GLN458Q, GLN465Q, GLN487I, GLN585Q, GLU347I, GLU554I, GLU565Q, GLU575Q, GLU698Q, 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, SER464Q, SER472Q, SER587Q, THR448Q, THR579Q, TRP607Q, TRP695Q, TYR397I, TYR441Q, TYR443Q, TYR577Q
I-R -89.9431 -10.2815 20 ALA386I, ARG245R, ARG404I, ASN407I, ASP219R, ASP327I, ASP327R, ASP368R, ASP716R, GLN259I, GLU396I, GLU546R, LYS258I, LYS666I, MET402I, SER224R, SER400I, SER708R, TRP228R, VAL221R
J-M -68.4622 -8.6792 -457.745 -534.8864 159 35 7 17689 0 11 13
J-O -397.2663 -39.1816 98 ALA357J, ALA493J, ALA550J, ALA553J, ARG389J, ARG432O, ARG460O, ARG485J, ARG514J, ARG567O, ARG594O, ARG694O, ARG730O, ARG734O, ASN270J, ASN382J, ASN435O, ASN477O, ASN496J, ASN497J, ASN498J, ASN500J, ASN512J, ASN552J, ASN583O, ASN691O, ASN696O, ASN735O, ASP269J, ASP345J, ASP431O, ASP439O, ASP495J, ASP529O, ASP530O, ASP598J, ASP598O, ASP609O, ASP626J, GLN349J, GLN359J, GLN374J, GLN440O, GLN449O, GLN458O, GLN465O, GLN487J, GLN585O, 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, THR504J, THR579O, THR593O, TRP607O, TRP695O, TYR393J, TYR397J, TYR424O, TYR441O, TYR443O, TYR577O
K-Q -84.9559 -7.8158 21 ALA386K, ARG245Q, ARG404K, ASN407K, ASP219Q, ASP327K, ASP327Q, ASP368Q, ASP716Q, GLN259K, GLN319Q, GLU396K, GLU546Q, LYS258K, LYS666K, SER224Q, SER400K, SER708Q, THR337K, TRP228Q, VAL221Q
K-R -389.6169 -27.3623 93 ALA357K, ALA550K, ALA553K, ARG389K, ARG432R, ARG460R, ARG485K, ARG514K, ARG567R, ARG594R, ARG694R, ARG730R, ARG734R, ASN270K, ASN435R, ASN477R, ASN496K, ASN497K, ASN498K, ASN500K, ASN512K, ASN552K, ASN583R, ASN691R, ASN696R, ASN735R, ASP269K, ASP345K, ASP431R, ASP439R, ASP495K, ASP529R, ASP598K, ASP598R, ASP609R, ASP626K, GLN349K, GLN359K, GLN374K, GLN440R, GLN449R, GLN458R, GLN465R, GLN487K, GLN585R, 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, SER464R, SER472R, SER499K, SER587R, THR448R, THR504K, THR548K, THR579R, THR593R, TRP607R, TRP695R, TYR393K, TYR397K, TYR441R, TYR443R, TYR577R
K-S -74.2406 -9.7993 21 ALA386S, ARG245K, ARG404S, ASP219K, ASP327K, ASP327S, ASP368K, ASP716K, GLN259S, GLN319K, GLU396S, GLU546K, LYS258S, LYS666S, PRO655S, SER400S, SER708K, THR337S, TRP228K, TYR674K, VAL221K
L-P -97.2164 -9.4174 22 ALA386L, ARG245P, ARG404L, ASN407L, ASP219P, ASP327L, ASP327P, ASP368P, ASP716P, GLN259L, GLU396L, GLU546P, LYS258L, LYS666L, MET402L, PRO655L, SER224P, SER400L, SER708P, TRP228P, TYR674P, VAL221P
L-T -79.7654 -8.6887 20 ALA386T, ARG245L, ARG404T, ASP219L, ASP327L, ASP327T, ASP368L, ASP716L, GLN259T, GLN319L, GLU396T, GLU546L, LYS258T, LYS666T, PRO655T, SER400T, SER708L, THR337T, TRP228L, TYR674L
M-N -74.3567 -10.1986 19 ALA386N, ARG245M, ARG404N, ASP219M, ASP295M, ASP327M, ASP327N, ASP368M, ASP716M, GLN259N, GLU396N, GLU546M, LYS258N, LYS666N, SER400N, SER708M, TRP228M, TYR397N, VAL221M
O-S -80.1556 -11.0556 20 ALA386O, ARG245S, ARG404O, ASN407O, ASP219S, ASP327O, ASP327S, ASP368S, ASP716S, GLN259O, GLN319S, GLU396O, GLU546S, LYS258O, LYS666O, SER224S, SER400O, SER708S, THR337O, TRP228S
Q-R -83.5604 -207.5579 28 ARG294Q, ARG294R, ARG298Q, ARG298R, ARG694Q, ARG694R, ASP231Q, ASP231R, ASP529Q, ASP529R, ASP530Q, ASP530R, GLN297Q, GLN297R, GLN700Q, GLU690Q, GLU690R, GLU698Q, GLU698R, LYS693Q, LYS693R, LYS707Q, LYS707R, SER692Q, SER692R, THR702R, TRP695Q, TRP695R
R-T -97.8906 -9.8362 24 ALA386R, ARG245T, ARG404R, ASN407R, ASP219T, ASP327R, ASP327T, ASP368T, ASP716T, GLN259R, GLN319T, GLU396R, GLU546T, LYS258R, LYS666R, MET402R, PRO655R, SER224T, SER400R, SER708T, THR337R, TRP228T, TYR674T, VAL221T