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 |
-43.93 |
-58.5586 |
-461.959 |
-564.4475 |
200 |
35 |
14 |
22707 |
4 |
53 |
64 |
|
A-C |
-15.3667 |
-14.4633 |
-60.2922 |
-90.1222 |
24 |
2 |
3 |
2732 |
1 |
9 |
7 |
|
A-J |
-26.4803 |
-12.4865 |
-62.7187 |
-101.6855 |
28 |
1 |
2 |
2988 |
0 |
13 |
8 |
|
A-K |
-41.4924 |
-77.659 |
-464.573 |
-583.7243 |
209 |
38 |
15 |
23058 |
5 |
52 |
68 |
|
A-L |
0.0 |
0.0 |
-0.1321 |
-0.1321 |
4 |
0 |
0 |
43 |
0 |
5 |
3 |
|
B-C |
-20.7462 |
-56.4909 |
-477.311 |
-554.5481 |
206 |
40 |
14 |
23181 |
7 |
55 |
70 |
|
B-D |
-10.4265 |
-15.4149 |
-60.2194 |
-86.0608 |
25 |
8 |
2 |
2774 |
1 |
13 |
8 |
|
B-K |
-14.2959 |
-13.0757 |
-57.6342 |
-85.0057 |
25 |
5 |
2 |
2674 |
0 |
12 |
8 |
|
C-D |
-41.518 |
-48.0477 |
-507.183 |
-596.7487 |
210 |
39 |
14 |
23168 |
5 |
56 |
62 |
|
C-E |
-24.5343 |
-18.1943 |
-57.7243 |
-100.4529 |
26 |
2 |
2 |
2706 |
2 |
11 |
8 |
|
C-T |
-7.1723 |
0.0 |
2 |
LEU122C, MET126T |
D-E |
-51.2047 |
-65.966 |
-463.841 |
-581.0117 |
203 |
45 |
14 |
23248 |
7 |
52 |
66 |
|
D-F |
-22.0582 |
-16.9781 |
-77.6116 |
-116.6479 |
26 |
5 |
3 |
3241 |
1 |
11 |
7 |
|
E-F |
-46.5555 |
-68.168 |
-480.764 |
-595.4875 |
212 |
42 |
13 |
23336 |
6 |
53 |
72 |
|
E-G |
-20.2035 |
-9.5245 |
-71.9615 |
-101.6894 |
27 |
6 |
2 |
3266 |
0 |
9 |
6 |
|
F-G |
-40.6255 |
-60.2869 |
-469.235 |
-570.1475 |
204 |
30 |
13 |
22446 |
4 |
54 |
58 |
|
F-H |
-22.6462 |
-8.9893 |
-56.5531 |
-88.1886 |
25 |
2 |
2 |
2610 |
0 |
8 |
6 |
|
F-Q |
-7.2682 |
0.0 |
2 |
LEU122F, MET126Q |
F-R |
0.0 |
3.0682 |
2 |
ARG130F, ARG130R |
G-H |
-33.093 |
-54.7769 |
-481.471 |
-569.3409 |
205 |
40 |
13 |
22829 |
4 |
54 |
60 |
|
G-I |
-24.2563 |
-11.2665 |
-56.6969 |
-92.2197 |
26 |
2 |
2 |
2740 |
0 |
9 |
6 |
|
G-P |
0.0 |
0.0 |
-48.2305 |
-48.2305 |
35 |
3 |
3 |
2901 |
0 |
0 |
0 |
|
H-I |
-33.4718 |
-63.7046 |
-459.601 |
-556.7773 |
210 |
41 |
15 |
23874 |
6 |
54 |
67 |
|
H-J |
-18.6875 |
-19.0006 |
-62.8149 |
-100.5031 |
26 |
1 |
2 |
3004 |
2 |
12 |
8 |
|
H-O |
0.0 |
0.0 |
-43.8457 |
-43.8457 |
33 |
6 |
2 |
2867 |
0 |
0 |
0 |
|
H-P |
0.0 |
0.0 |
-0.0042 |
-0.0042 |
3 |
0 |
0 |
7 |
0 |
2 |
1 |
|
I-J |
-43.5648 |
-61.1123 |
-479.704 |
-584.381 |
208 |
46 |
13 |
23848 |
7 |
54 |
69 |
|
I-K |
-6.2938 |
-11.81 |
-65.8581 |
-83.9619 |
27 |
1 |
2 |
2954 |
0 |
10 |
7 |
|
I-N |
-8.5589 |
0.0 |
-60.5964 |
-69.1553 |
44 |
4 |
3 |
3284 |
0 |
2 |
2 |
|
I-O |
0.0 |
0.0 |
-0.0105 |
-0.0105 |
4 |
0 |
0 |
11 |
0 |
2 |
2 |
|
J-K |
-35.3041 |
-59.5204 |
-499.856 |
-594.6805 |
204 |
41 |
14 |
23303 |
5 |
51 |
66 |
|
J-M |
0.0 |
0.0 |
-45.7359 |
-45.7359 |
39 |
2 |
3 |
3121 |
0 |
1 |
1 |
|
J-N |
0.0 |
0.0 |
-0.2251 |
-0.2251 |
5 |
0 |
0 |
55 |
0 |
5 |
3 |
|
K-L |
-10.6401 |
0.0 |
-69.3625 |
-80.0026 |
44 |
7 |
4 |
3522 |
0 |
2 |
2 |
|
K-M |
0.0 |
4.4286 |
-0.1801 |
4.2485 |
4 |
0 |
0 |
66 |
0 |
5 |
2 |
|
L-M |
-38.4488 |
-60.3333 |
-459.97 |
-558.7521 |
211 |
44 |
13 |
23196 |
7 |
55 |
64 |
|
L-N |
-19.1889 |
-21.8135 |
-76.8674 |
-117.8697 |
27 |
3 |
3 |
3242 |
2 |
12 |
9 |
|
L-U |
-23.7741 |
-20.3806 |
6 |
ASP362L, GLU363L, LYS364L, LYS5U, LYS9U, PHE360L |
L-V |
-25.8195 |
-62.2575 |
28 |
ARG254L, ARG270L, ARG357L, ARG358L, ARG361L, ARG400L, ARG415V, ASP24V, GLU20V, GLU255L, GLU255V, GLU266V, GLU274L, GLU337V, GLU356L, GLU365L, GLU398L, GLU403V, GLY353L, GLY414V, HIS262V, HIS431L, LYS18V, LYS247L, LYS263V, LYS352L, LYS444V, THR354L |
M-N |
-33.9731 |
-64.3057 |
-518.204 |
-616.4828 |
226 |
47 |
15 |
24472 |
6 |
56 |
69 |
|
M-O |
-6.0324 |
-11.9179 |
-85.3931 |
-103.3434 |
28 |
12 |
3 |
3736 |
0 |
11 |
7 |
|
M-V |
-16.4847 |
-12.6351 |
6 |
ASP362M, GLU363M, GLU365M, LYS364M, LYS9V, PHE360M |
N-O |
-50.8672 |
-53.2381 |
-481.845 |
-585.9503 |
201 |
35 |
14 |
22203 |
6 |
52 |
62 |
|
N-P |
-22.5467 |
-8.5031 |
0.0 |
-31.0498 |
5 |
0 |
0 |
0 |
0 |
0 |
0 |
|
O-P |
-34.3221 |
-40.0616 |
-137.2 |
-211.5836 |
125 |
31 |
7 |
9961 |
0 |
27 |
24 |
|
O-Q |
-15.812 |
-14.3918 |
5 |
ASP362Q, GLU363Q, LYS364Q, LYS9O, PHE360Q |
P-Q |
-42.0351 |
-48.3734 |
31 |
ARG254Q, ARG270Q, ARG357Q, ARG358Q, ARG361Q, ARG400Q, ARG415P, ASP24P, GLU20P, GLU255P, GLU255Q, GLU266P, GLU274Q, GLU337P, GLU347Q, GLU348Q, GLU356Q, GLU365Q, GLU403P, GLY351Q, GLY353Q, GLY414P, HIS262P, HIS431Q, LEU416P, LYS18P, LYS247Q, LYS263P, LYS352Q, LYS444P, PHE261P |
P-R |
-15.8132 |
-20.0856 |
6 |
ASP362R, GLU363R, GLU365R, LYS364R, LYS9P, PHE360R |
Q-R |
-52.3751 |
-58.0264 |
28 |
ARG254R, ARG270R, ARG357R, ARG358R, ARG361R, ARG415Q, ASP24Q, GLU20Q, GLU255Q, GLU255R, GLU266Q, GLU274R, GLU337Q, GLU347R, GLU356R, GLU365R, GLU403Q, GLY353R, GLY414Q, HIS262Q, HIS431R, LYS18Q, LYS247R, LYS263Q, LYS352R, LYS444Q, PHE261Q, THR354R |
Q-S |
-10.5116 |
-15.4325 |
6 |
ASP362S, GLU363S, GLU365S, LYS364S, LYS9Q, PHE360S |
R-S |
-38.1247 |
-75.7982 |
29 |
ARG254S, ARG270S, ARG357S, ARG358S, ARG361S, ARG415R, ARG423S, ASP24R, GLU20R, GLU255R, GLU255S, GLU266R, GLU274S, GLU337R, GLU347S, GLU356S, GLU403R, GLY353S, GLY414R, HIS262R, HIS431S, LYS18R, LYS247S, LYS263R, LYS352S, LYS444R, LYS5R, THR354S, THR445R |
R-T |
-16.1192 |
-10.5442 |
8 |
ARG361T, ASP362T, GLU363T, GLU365T, LYS364T, LYS5R, LYS9R, PHE360T |
S-T |
-32.9483 |
-40.4123 |
27 |
ARG254T, ARG270T, ARG357T, ARG358T, ARG361T, ARG415S, ASP24S, GLU20S, GLU255S, GLU255T, GLU266S, GLU274T, GLU337S, GLU347T, GLU356T, GLU365T, GLU403S, GLY353T, GLY414S, HIS262S, HIS431T, LYS18S, LYS247T, LYS263S, LYS352T, LYS444S, THR354T |
S-U |
-17.0521 |
-11.4329 |
6 |
ASP362U, GLU363U, GLU365U, LYS364U, LYS9S, PHE360U |
T-U |
-48.0404 |
-52.0765 |
29 |
ARG254U, ARG270U, ARG357U, ARG358U, ARG361U, ARG415T, ASP24T, GLU20T, GLU255T, GLU255U, GLU266T, GLU274U, GLU337T, GLU347U, GLU356U, GLU365U, GLU403T, GLY351U, GLY353U, GLY414T, HIS262T, HIS431U, LEU416T, LYS18T, LYS247U, LYS263T, LYS352U, LYS444T, THR354U |
T-V |
-15.7298 |
-8.7279 |
4 |
ASP362V, GLU363V, LYS9T, PHE360V |
U-V |
-43.0899 |
-67.3444 |
34 |
ARG254V, ARG270V, ARG357V, ARG358V, ARG361V, ARG400V, ARG415U, ARG423V, ASP24U, GLU20U, GLU255U, GLU255V, GLU266U, GLU274V, GLU337U, GLU347V, GLU348V, GLU356V, GLU398V, GLU403U, GLY351V, GLY353V, GLY414U, HIS262U, HIS431V, ILE6U, LEU416U, LYS18U, LYS247V, LYS263U, LYS352V, LYS444U, THR354V, THR445U |
|