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 |
-61.5003 |
-64.5715 |
-259.679 |
-385.7508 |
149 |
45 |
8 |
14862 |
10 |
57 |
57 |
|
A-D |
-6.85 |
21.0324 |
-61.5149 |
-47.3325 |
48 |
9 |
1 |
2719 |
0 |
20 |
18 |
|
A-F |
0.0 |
21.5784 |
-41.1157 |
-19.5373 |
44 |
0 |
0 |
2176 |
1 |
29 |
34 |
|
A-G |
0.0 |
-27.9061 |
-38.0687 |
-65.9748 |
62 |
11 |
0 |
2616 |
0 |
29 |
17 |
|
A-J |
-14.3942 |
46.5801 |
-51.6947 |
-19.5088 |
52 |
5 |
0 |
2800 |
0 |
15 |
19 |
|
A-M |
-10.1182 |
-25.689 |
11 |
ARG18A, ARG434A, ASP105M, ASP399A, ASP435A, GLU22A, GLU353M, HIS140M, LYS296M, LYS298M, LYS352M |
A-N |
-9.0298 |
-30.3241 |
6 |
ARG6A, ARG8A, ASN320A, GLU337N, GLU9A, TYR166N |
A-R |
0.0 |
-16.527 |
2 |
ARG167R, GLU496A |
A-S |
-52.9723 |
-122.3989 |
45 |
ARG166A, ARG248A, ARG251A, ARG28S, ARG364A, ARG42S, ARG83A, ARG8A, ASN323A, ASP115S, ASP122S, ASP125S, ASP145S, ASP242A, ASP25S, ASP358A, ASP75S, ASP81A, ASP94A, CYS47S, GLU108S, GLU116S, GLU146S, GLU200A, GLU234A, GLU291A, GLU51S, GLY120S, HIS188A, HIS192A, HIS235A, HIS57A, HIS64A, LEU91A, LYS128S, LYS129S, LYS133S, LYS155A, LYS156A, LYS322A, LYS45S, LYS78A, SER48S, THR126S, THR80A |
B-C |
0.0 |
6.4967 |
-32.3035 |
-25.8068 |
39 |
1 |
0 |
1963 |
2 |
29 |
37 |
|
B-D |
0.0 |
-1.1846 |
-11.1561 |
-12.3407 |
11 |
2 |
0 |
459 |
0 |
1 |
3 |
|
B-E |
-4.047 |
21.4618 |
-58.1319 |
-40.717 |
46 |
3 |
1 |
2579 |
0 |
20 |
19 |
|
B-F |
0.0 |
-1.2216 |
-8.9377 |
-10.1594 |
11 |
0 |
0 |
411 |
0 |
1 |
3 |
|
B-J |
-6.2785 |
2.1121 |
-5.122 |
-9.2885 |
13 |
0 |
0 |
377 |
0 |
6 |
5 |
|
B-M |
-70.9823 |
-160.2511 |
32 |
ALA75M, ARG108B, ARG22M, ARG304M, ARG393M, ASN329B, ASP115M, ASP119M, ASP127M, ASP150B, ASP24M, ASP366B, ASP368B, ASP475B, GLU112M, GLU116M, GLU186B, GLU189B, GLU216B, GLU476B, GLU583B, GLY568B, LEU570B, LYS147B, LYS346M, LYS67B, LYS72M, LYS73M, LYS78B, LYS86M, PHE134M, SER78M |
B-N |
-28.5469 |
-83.8411 |
18 |
ARG191N, ARG268N, ARG410N, ASP25B, ASP3B, ASP417N, ASP53B, ASP82B, GLU193N, GLU261N, GLU311N, GLU381N, HIS239N, LYS11B, LYS12B, LYS19B, LYS379N, LYS5B |
B-S |
0.0 |
4.446 |
4 |
ASP102S, GLU100S, GLU14B, LYS12B |
B-U |
0.0 |
4.1041 |
6 |
ASP471B, GLU136U, GLU464B, GLU467B, LYS129U, LYS133U |
C-D |
-48.9153 |
-64.5633 |
-263.179 |
-376.6576 |
149 |
48 |
8 |
14893 |
10 |
57 |
57 |
|
C-N |
-10.1088 |
-25.6919 |
11 |
ARG18C, ARG434C, ASP105N, ASP399C, ASP435C, GLU22C, GLU353N, HIS140N, LYS296N, LYS298N, LYS352N |
C-T |
-48.5964 |
-122.3967 |
44 |
ARG166C, ARG248C, ARG251C, ARG28T, ARG364C, ARG42T, ARG83C, ARG8C, ASN323C, ASP115T, ASP122T, ASP125T, ASP145T, ASP242C, ASP25T, ASP358C, ASP75T, ASP81C, ASP94C, CYS47T, GLU108T, GLU116T, GLU146T, GLU200C, GLU234C, GLU291C, GLU51T, GLY120T, HIS188C, HIS192C, HIS235C, HIS57C, HIS64C, LEU91C, LYS128T, LYS129T, LYS133T, LYS155C, LYS156C, LYS322C, LYS45T, LYS78C, SER48T, THR80C |
D-N |
-71.2029 |
-160.2476 |
31 |
ALA75N, ARG108D, ARG22N, ARG304N, ARG393N, ASN329D, ASP115N, ASP119N, ASP127N, ASP150D, ASP24N, ASP366D, ASP368D, ASP475D, GLU112N, GLU116N, GLU186D, GLU189D, GLU216D, GLU476D, GLU583D, LEU570D, LYS147D, LYS346N, LYS67D, LYS72N, LYS73N, LYS78D, LYS86N, PHE134N, TYR136D |
D-S |
0.0 |
-1.1047 |
6 |
ASP471D, GLU136S, GLU464D, GLU467D, LYS129S, LYS133S |
D-T |
0.0 |
4.4469 |
4 |
ASP102T, GLU100T, GLU14D, LYS12D |
E-F |
-48.9589 |
-64.5713 |
-264.231 |
-377.7612 |
150 |
45 |
8 |
14884 |
10 |
57 |
57 |
|
E-M |
0.0 |
-28.0092 |
4 |
ARG6E, ARG8E, GLU337M, GLU9E |
E-O |
-10.1138 |
-25.6931 |
11 |
ARG18E, ARG434E, ASP105O, ASP399E, ASP435E, GLU22E, GLU353O, HIS140O, LYS296O, LYS298O, LYS352O |
E-U |
-48.608 |
-122.4017 |
44 |
ARG166E, ARG248E, ARG251E, ARG28U, ARG364E, ARG42U, ARG83E, ARG8E, ASN323E, ASP115U, ASP122U, ASP125U, ASP145U, ASP242E, ASP25U, ASP358E, ASP75U, ASP81E, ASP94E, CYS47U, GLU108U, GLU116U, GLU146U, GLU200E, GLU234E, GLU291E, GLU51U, GLY120U, HIS188E, HIS192E, HIS235E, HIS57E, HIS64E, LEU91E, LYS128U, LYS129U, LYS133U, LYS155E, LYS156E, LYS322E, LYS45U, LYS78E, SER48U, THR80E |
F-M |
-22.9126 |
-79.4669 |
21 |
ARG191M, ARG201M, ARG268M, ARG410M, ASP25F, ASP3F, ASP417M, ASP53F, ASP82F, GLU193M, GLU261M, GLU311M, GLU381M, HIS239M, LYS11F, LYS12F, LYS19F, LYS237M, LYS379M, LYS5F, MET86F |
F-O |
-66.1415 |
-160.2505 |
30 |
ALA75O, ARG108F, ARG22O, ARG304O, ARG393O, ASN329F, ASP115O, ASP119O, ASP127O, ASP150F, ASP24O, ASP366F, ASP368F, ASP475F, GLU112O, GLU116O, GLU186F, GLU189F, GLU216F, GLU476F, GLU583F, LEU570F, LYS147F, LYS346O, LYS67F, LYS72O, LYS73O, LYS78F, LYS86O, PHE134O |
F-U |
0.0 |
4.4464 |
4 |
ASP102U, GLU100U, GLU14F, LYS12F |
G-H |
-48.9241 |
-64.5651 |
-263.486 |
-376.9752 |
151 |
44 |
8 |
14899 |
10 |
57 |
57 |
|
G-J |
-6.744 |
21.0534 |
-63.2348 |
-48.9254 |
48 |
9 |
1 |
2807 |
0 |
20 |
18 |
|
G-L |
0.0 |
27.8033 |
11 |
ARG96G, ASP61L, ASP94G, ASP97L, ASP98G, GLU95G, GLU96L, HIS100G, HIS64G, LYS66L, LYS93L |
G-P |
-10.1232 |
-25.6937 |
11 |
ARG18G, ARG434G, ASP105P, ASP399G, ASP435G, GLU22G, GLU353P, HIS140P, LYS296P, LYS298P, LYS352P |
G-Q |
-48.6129 |
-122.3976 |
44 |
ARG166G, ARG248G, ARG251G, ARG28Q, ARG364G, ARG42Q, ARG83G, ARG8G, ASN323G, ASP115Q, ASP122Q, ASP125Q, ASP145Q, ASP242G, ASP25Q, ASP358G, ASP75Q, ASP81G, ASP94G, CYS47Q, GLU108Q, GLU116Q, GLU146Q, GLU200G, GLU234G, GLU291G, GLU51Q, GLY120Q, HIS188G, HIS192G, HIS235G, HIS57G, HIS64G, LEU91G, LYS128Q, LYS129Q, LYS133Q, LYS155G, LYS156G, LYS322G, LYS45Q, LYS78G, SER48Q, THR80G |
G-R |
0.0 |
-30.4566 |
4 |
ARG6G, ARG8G, GLU337R, GLU9G |
H-I |
0.0 |
5.4117 |
-39.484 |
-34.0723 |
43 |
1 |
0 |
2204 |
3 |
30 |
37 |
|
H-J |
0.0 |
-1.1179 |
-11.4626 |
-12.5805 |
11 |
1 |
0 |
477 |
0 |
1 |
3 |
|
H-K |
0.0 |
20.5152 |
-54.9397 |
-34.4245 |
44 |
2 |
1 |
2423 |
0 |
20 |
18 |
|
H-L |
0.0 |
-1.1436 |
2 |
ASP3L, LYS402H |
H-P |
-69.4623 |
-160.2505 |
31 |
ALA75P, ARG108H, ARG22P, ARG304P, ARG393P, ASN329H, ASP115P, ASP119P, ASP127P, ASP150H, ASP24P, ASP366H, ASP368H, ASP475H, GLU112P, GLU116P, GLU186H, GLU189H, GLU216H, GLU476H, GLU583H, LEU570H, LYS147H, LYS346P, LYS67H, LYS72P, LYS73P, LYS78H, LYS86P, PHE134P, TYR136H |
H-Q |
0.0 |
4.4451 |
4 |
ASP102Q, GLU100Q, GLU14H, LYS12H |
H-R |
-33.976 |
-83.3031 |
21 |
ARG191R, ARG268R, ARG410R, ASP235R, ASP25H, ASP3H, ASP417R, ASP53H, ASP82H, GLU193R, GLU261R, GLU311R, GLU381R, HIS239R, LYS11H, LYS12H, LYS19H, LYS237R, LYS379R, LYS5H, MET86H |
H-W |
0.0 |
3.311 |
6 |
ASP471H, GLU136W, GLU464H, GLU467H, LYS129W, LYS133W |
I-J |
-55.6266 |
-64.5683 |
-262.538 |
-382.7328 |
149 |
45 |
8 |
14850 |
10 |
57 |
57 |
|
I-R |
-10.1212 |
-25.689 |
11 |
ARG18I, ARG434I, ASP105R, ASP399I, ASP435I, GLU22I, GLU353R, HIS140R, LYS296R, LYS298R, LYS352R |
I-X |
-52.3229 |
-122.4 |
45 |
ARG166I, ARG248I, ARG251I, ARG28X, ARG364I, ARG42X, ARG83I, ARG8I, ASN323I, ASP115X, ASP122X, ASP125X, ASP145X, ASP242I, ASP25X, ASP358I, ASP75X, ASP81I, ASP94I, CYS47X, GLU108X, GLU116X, GLU146X, GLU200I, GLU234I, GLU291I, GLU51X, GLY120X, HIS188I, HIS192I, HIS235I, HIS57I, HIS64I, LEU91I, LYS128X, LYS129X, LYS133X, LYS155I, LYS156I, LYS322I, LYS45X, LYS78I, SER48X, THR126X, THR80I |
J-Q |
0.0 |
-2.3993 |
6 |
ASP471J, GLU136Q, GLU464J, GLU467J, LYS129Q, LYS133Q |
J-R |
-66.1413 |
-160.2555 |
30 |
ALA75R, ARG108J, ARG22R, ARG304R, ARG393R, ASN329J, ASP115R, ASP119R, ASP127R, ASP150J, ASP24R, ASP366J, ASP368J, ASP475J, GLU112R, GLU116R, GLU186J, GLU189J, GLU216J, GLU476J, GLU583J, LEU570J, LYS147J, LYS346R, LYS67J, LYS72R, LYS73R, LYS78J, LYS86R, PHE134R |
J-X |
0.0 |
4.4457 |
4 |
ASP102X, GLU100X, GLU14J, LYS12J |
K-L |
-62.0499 |
-64.5738 |
27 |
ARG15K, ARG18K, ARG419L, ARG522L, ARG528L, ARG562K, ARG583K, ASP436K, ASP515L, ASP518L, ASP521L, GLN561K, GLU17L, GLU32L, GLU482K, GLU539L, GLU558K, GLU565K, LEU547L, LEU580K, LYS36L, LYS490L, LYS532K, LYS545L, LYS572K, SER553K, SER554K |
K-P |
0.0 |
-28.6052 |
4 |
ARG6K, ARG8K, GLU337P, GLU9K |
K-V |
-10.1268 |
-25.6843 |
11 |
ARG18K, ARG434K, ASP105V, ASP399K, ASP435K, GLU22K, GLU353V, HIS140V, LYS296V, LYS298V, LYS352V |
K-W |
-55.7997 |
-122.3969 |
44 |
ARG166K, ARG248K, ARG251K, ARG28W, ARG364K, ARG42W, ARG83K, ARG8K, ASN323K, ASP115W, ASP122W, ASP125W, ASP145W, ASP242K, ASP25W, ASP358K, ASP75W, ASP81K, ASP94K, CYS47W, GLU108W, GLU116W, GLU146W, GLU200K, GLU234K, GLU291K, GLU51W, GLY120W, HIS188K, HIS192K, HIS235K, HIS57K, HIS64K, LEU91K, LYS128W, LYS129W, LYS133W, LYS155K, LYS156K, LYS322K, LYS45W, LYS78K, SER48W, THR80K |
L-P |
-19.4203 |
-76.3832 |
16 |
ARG191P, ARG201P, ARG268P, ARG410P, ASP25L, ASP3L, ASP417P, ASP53L, GLU261P, GLU311P, GLU381P, LYS11L, LYS12L, LYS19L, LYS379P, LYS5L |
L-V |
-68.4352 |
-160.2493 |
32 |
ALA75V, ARG108L, ARG22V, ARG304V, ARG393V, ASN329L, ASP115V, ASP119V, ASP127V, ASP150L, ASP24V, ASP366L, ASP368L, ASP475L, GLU112V, GLU116V, GLU186L, GLU189L, GLU216L, GLU476L, GLU583L, GLY568L, LEU570L, LYS147L, LYS346V, LYS67L, LYS72V, LYS73V, LYS78L, LYS86V, PHE134V, SER78V |
L-W |
0.0 |
4.4451 |
4 |
ASP102W, GLU100W, GLU14L, LYS12L |
M-S |
-2.9503 |
-35.257 |
11 |
ARG191M, ARG33S, ARG421M, ARG53S, ASP54S, GLU232M, GLU234M, GLU34S, HIS272M, LYS26S, LYS30S |
M-U |
-4.3405 |
-11.4436 |
5 |
ASP139U, ASP321M, GLU143U, GLU146U, LYS333M |
N-S |
-2.5323 |
-13.7009 |
5 |
ASP139S, ASP321N, GLU143S, GLU146S, LYS333N |
N-T |
-2.9484 |
-35.2574 |
11 |
ARG191N, ARG33T, ARG421N, ARG53T, ASP54T, GLU232N, GLU234N, GLU34T, HIS272N, LYS26T, LYS30T |
O-U |
-2.9444 |
-35.2562 |
11 |
ARG191O, ARG33U, ARG421O, ARG53U, ASP54U, GLU232O, GLU234O, GLU34U, HIS272O, LYS26U, LYS30U |
P-Q |
-2.9662 |
-35.2562 |
11 |
ARG191P, ARG33Q, ARG421P, ARG53Q, ASP54Q, GLU232P, GLU234P, GLU34Q, HIS272P, LYS26Q, LYS30Q |
P-W |
-4.0862 |
-11.5336 |
5 |
ASP139W, ASP321P, GLU143W, GLU146W, LYS333P |
Q-R |
-2.5606 |
-13.5317 |
5 |
ASP139Q, ASP321R, GLU143Q, GLU146Q, LYS333R |
R-X |
-2.9437 |
-35.2599 |
11 |
ARG191R, ARG33X, ARG421R, ARG53X, ASP54X, GLU232R, GLU234R, GLU34X, HIS272R, LYS26X, LYS30X |
V-W |
-2.9399 |
-35.2585 |
11 |
ARG191V, ARG33W, ARG421V, ARG53W, ASP54W, GLU232V, GLU234V, GLU34W, HIS272V, LYS26W, LYS30W |
|