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-a |
-70.2118 |
18.9378 |
-591.018 |
-642.292 |
192 |
15 |
11 |
22170 |
0 |
59 |
57 |
|
A-B |
-28.1917 |
-11.5114 |
-36.9278 |
-76.6309 |
26 |
2 |
0 |
1602 |
0 |
10 |
10 |
|
A-C |
-23.3642 |
-17.9684 |
-33.1905 |
-74.523 |
25 |
2 |
0 |
1438 |
0 |
10 |
10 |
|
A-c |
-21.123 |
0.6603 |
-302.237 |
-322.6998 |
116 |
2 |
13 |
12058 |
0 |
14 |
16 |
|
a-B |
-22.1124 |
0.6497 |
-289.88 |
-311.3427 |
116 |
3 |
13 |
11731 |
0 |
14 |
16 |
|
a-b |
-12.8054 |
-29.2112 |
-35.6904 |
-77.707 |
25 |
2 |
0 |
1493 |
1 |
10 |
10 |
|
a-c |
-20.7757 |
-22.6828 |
-30.624 |
-74.0825 |
25 |
5 |
0 |
1597 |
1 |
10 |
10 |
|
a-M |
-9.7567 |
-15.8572 |
-5.9597 |
-31.5736 |
11 |
1 |
0 |
209 |
2 |
9 |
10 |
|
a-m |
0.0 |
-23.1431 |
-28.8265 |
-51.9696 |
30 |
3 |
0 |
1684 |
3 |
19 |
20 |
|
B-b |
-63.5227 |
26.8016 |
-612.215 |
-648.9361 |
196 |
13 |
12 |
23005 |
0 |
62 |
60 |
|
B-C |
-34.8675 |
-11.4866 |
-34.1993 |
-80.5534 |
26 |
3 |
0 |
1515 |
0 |
10 |
10 |
|
B-E |
0.0 |
0.0 |
-1.3976 |
-1.3976 |
7 |
0 |
0 |
186 |
0 |
6 |
4 |
|
B-m |
-27.0288 |
-5.1375 |
-43.8641 |
-76.0304 |
33 |
3 |
0 |
1894 |
2 |
18 |
17 |
|
b-C |
-21.5137 |
0.7337 |
-302.538 |
-323.318 |
118 |
5 |
13 |
12072 |
0 |
14 |
16 |
|
b-c |
-13.0382 |
-22.8827 |
-33.4829 |
-69.4037 |
25 |
2 |
0 |
1430 |
1 |
10 |
10 |
|
b-d |
-23.9395 |
-14.62 |
38.0323 |
-0.5272 |
42 |
20 |
0 |
2601 |
3 |
22 |
25 |
|
C-c |
-63.4235 |
24.4883 |
-601.672 |
-640.6072 |
192 |
12 |
12 |
22537 |
0 |
61 |
59 |
|
D-d |
-69.2121 |
20.0262 |
-584.328 |
-633.5139 |
189 |
16 |
11 |
21841 |
0 |
61 |
55 |
|
D-E |
-30.3892 |
-11.9941 |
-22.4536 |
-64.837 |
26 |
3 |
0 |
1530 |
0 |
10 |
10 |
|
D-F |
-21.1571 |
-20.1456 |
-30.0678 |
-71.3704 |
26 |
2 |
0 |
1458 |
0 |
10 |
10 |
|
D-R |
-20.7589 |
0.712 |
-303.495 |
-323.5419 |
118 |
5 |
13 |
12085 |
0 |
14 |
17 |
|
d-E |
-20.653 |
0.6922 |
-307.477 |
-327.4378 |
117 |
4 |
14 |
12230 |
0 |
14 |
17 |
|
d-e |
-13.6536 |
-21.3772 |
-25.6651 |
-60.6959 |
25 |
3 |
0 |
1439 |
1 |
10 |
10 |
|
d-R |
-24.4064 |
-11.2515 |
-36.6228 |
-72.2807 |
26 |
3 |
0 |
1558 |
0 |
10 |
10 |
|
E-e |
-67.882 |
27.5332 |
-603.367 |
-643.7159 |
194 |
13 |
12 |
22574 |
0 |
60 |
58 |
|
E-F |
-20.2816 |
-11.8121 |
-34.2398 |
-66.3336 |
26 |
2 |
0 |
1439 |
0 |
10 |
10 |
|
E-m |
0.0 |
0.0 |
-0.2775 |
-0.2775 |
8 |
0 |
0 |
112 |
0 |
3 |
4 |
|
E-N |
0.0 |
-8.8393 |
-7.2886 |
-16.1279 |
18 |
0 |
0 |
635 |
0 |
19 |
13 |
|
e-F |
-22.0379 |
0.6986 |
-317.254 |
-338.5932 |
119 |
5 |
15 |
12381 |
0 |
14 |
15 |
|
e-R |
-19.6734 |
-19.8113 |
-31.4823 |
-70.967 |
25 |
2 |
0 |
1372 |
0 |
10 |
10 |
|
e-I |
0.0 |
0.0 |
-0.5224 |
-0.5224 |
9 |
0 |
0 |
117 |
0 |
5 |
4 |
|
e-i |
0.0 |
-3.9931 |
-1.1248 |
-5.1178 |
9 |
0 |
0 |
187 |
0 |
10 |
10 |
|
e-N |
-5.441 |
39.9205 |
-31.9722 |
2.5073 |
27 |
16 |
0 |
1389 |
1 |
16 |
17 |
|
F-R |
-68.0395 |
27.6639 |
-605.785 |
-646.1607 |
194 |
16 |
12 |
22712 |
0 |
62 |
57 |
|
F-I |
0.0 |
-12.5569 |
-6.8365 |
-19.3934 |
21 |
0 |
0 |
706 |
2 |
16 |
12 |
|
F-k |
-10.4552 |
6.3858 |
-29.5212 |
-33.5906 |
27 |
12 |
0 |
1781 |
4 |
18 |
17 |
|
F-L |
0.0 |
0.0 |
-0.0037 |
-0.0037 |
2 |
0 |
0 |
2 |
0 |
5 |
6 |
|
R-k |
-8.8239 |
-10.8435 |
-49.7228 |
-69.3902 |
41 |
3 |
0 |
2409 |
0 |
18 |
17 |
|
G-P |
-69.952 |
22.1206 |
-620.222 |
-668.0535 |
194 |
13 |
12 |
23010 |
0 |
58 |
59 |
|
G-H |
-15.4266 |
-22.6063 |
-29.358 |
-67.3908 |
25 |
2 |
0 |
1495 |
1 |
10 |
10 |
|
G-I |
-14.421 |
-22.3484 |
-30.2231 |
-66.9925 |
25 |
2 |
0 |
1423 |
1 |
10 |
10 |
|
G-i |
-23.0379 |
0.7034 |
-300.038 |
-322.3725 |
118 |
3 |
13 |
12017 |
0 |
14 |
17 |
|
G-Q |
0.0 |
-0.0228 |
0.0 |
-0.0228 |
4 |
0 |
0 |
0 |
0 |
0 |
0 |
|
P-H |
-21.8402 |
0.6436 |
-301.648 |
-322.8446 |
117 |
3 |
14 |
12054 |
0 |
14 |
16 |
|
P-h |
-14.0717 |
-21.6551 |
-31.4854 |
-67.2122 |
25 |
2 |
0 |
1481 |
1 |
10 |
10 |
|
P-i |
-17.5905 |
-22.6738 |
-31.1822 |
-71.4465 |
25 |
4 |
0 |
1549 |
1 |
10 |
10 |
|
H-h |
-66.5807 |
26.7245 |
-620.172 |
-660.0282 |
196 |
17 |
12 |
23131 |
0 |
61 |
59 |
|
H-I |
-23.5113 |
-11.646 |
-36.9741 |
-72.1314 |
26 |
2 |
0 |
1502 |
0 |
10 |
10 |
|
h-I |
-23.9396 |
0.739 |
-302.155 |
-325.3556 |
117 |
4 |
13 |
11983 |
0 |
14 |
16 |
|
h-i |
-22.9558 |
-11.6576 |
-38.6349 |
-73.2484 |
26 |
2 |
0 |
1527 |
0 |
10 |
10 |
|
h-L |
-6.0951 |
4.6283 |
-36.8421 |
-38.3089 |
24 |
3 |
0 |
1713 |
3 |
15 |
15 |
|
h-l |
0.0 |
-2.8534 |
-0.0925 |
-2.9459 |
4 |
0 |
0 |
19 |
0 |
6 |
3 |
|
I-i |
-64.9251 |
25.5774 |
-608.86 |
-648.2077 |
195 |
12 |
12 |
22692 |
0 |
61 |
59 |
|
I-L |
0.0 |
1.749 |
-0.4235 |
1.3256 |
17 |
0 |
0 |
69 |
0 |
13 |
10 |
|
i-N |
0.0 |
0.0 |
-0.0446 |
-0.0446 |
9 |
0 |
0 |
25 |
0 |
5 |
4 |
|
i-Q |
0.0 |
17.4006 |
0.0 |
17.4006 |
6 |
0 |
0 |
0 |
0 |
0 |
0 |
|
J-j |
-60.7007 |
21.9089 |
-616.485 |
-655.2767 |
197 |
15 |
12 |
23058 |
0 |
61 |
60 |
|
J-K |
-26.4901 |
-11.9367 |
-29.0497 |
-67.4765 |
26 |
3 |
0 |
1491 |
0 |
10 |
10 |
|
J-L |
-32.5145 |
-11.0919 |
-35.9105 |
-79.5169 |
26 |
3 |
0 |
1600 |
0 |
10 |
10 |
|
J-l |
-22.3768 |
0.7402 |
-301.405 |
-323.0416 |
118 |
4 |
13 |
11991 |
0 |
14 |
16 |
|
j-K |
-22.2771 |
0.7332 |
-309.939 |
-331.4829 |
116 |
4 |
14 |
12290 |
0 |
14 |
15 |
|
j-k |
-16.9317 |
-22.3966 |
-39.8977 |
-79.2261 |
25 |
3 |
0 |
1584 |
1 |
10 |
10 |
|
j-l |
-14.218 |
-22.2379 |
-30.8912 |
-67.3471 |
25 |
2 |
0 |
1448 |
1 |
10 |
10 |
|
K-k |
-63.4179 |
20.5666 |
-603.954 |
-646.8053 |
194 |
14 |
12 |
22647 |
0 |
62 |
60 |
|
K-L |
-24.7366 |
-11.7836 |
-30.6549 |
-67.1751 |
27 |
3 |
0 |
1517 |
0 |
10 |
10 |
|
k-L |
-22.093 |
0.7332 |
-307.584 |
-328.9439 |
118 |
2 |
14 |
12186 |
0 |
14 |
17 |
|
k-l |
-16.9402 |
-22.2904 |
-32.0149 |
-71.2454 |
25 |
3 |
0 |
1535 |
1 |
10 |
10 |
|
L-l |
-73.1313 |
18.4943 |
-597.119 |
-651.756 |
193 |
17 |
11 |
22417 |
0 |
59 |
56 |
|
M-m |
-61.4795 |
14.1246 |
-580.079 |
-627.4339 |
191 |
14 |
11 |
21873 |
0 |
59 |
55 |
|
M-N |
-18.1028 |
-22.4447 |
-26.6247 |
-67.1722 |
26 |
2 |
0 |
1515 |
1 |
10 |
10 |
|
M-O |
-33.2876 |
-11.8269 |
8 |
ALA2189M, ARG1175O, ARG1178O, GLU2185M, GLU2186M, HIS2179M, LYS1181O, LYS2181M |
M-o |
-22.7677 |
0.7151 |
6 |
ARG2115M, ARG3115o, ASP2117M, ASP3117o, GLU2127M, GLU3127o |
m-N |
-20.8971 |
0.6886 |
-305.612 |
-325.8204 |
115 |
3 |
14 |
12194 |
0 |
14 |
17 |
|
m-Q |
-27.9615 |
-11.898 |
0.0 |
-39.8595 |
8 |
0 |
0 |
0 |
0 |
0 |
0 |
|
m-o |
-15.8817 |
-9.4332 |
6 |
ARG3175m, ARG3178m, GLU3185o, GLU3186o, HIS3179o, LYS3181o |
N-Q |
-59.1005 |
26.5331 |
-29.2809 |
-61.8483 |
49 |
0 |
1 |
1230 |
0 |
8 |
4 |
|
N-O |
-37.8627 |
-12.0859 |
9 |
ALA1189O, ARG1175N, ARG1178N, GLU1185O, GLU1186O, HIS1179N, HIS1179O, LYS1181N, LYS1181O |
Q-O |
-20.1019 |
0.7509 |
6 |
ARG1115O, ARG1115Q, ASP1117O, ASP1117Q, GLU1127O, GLU1127Q |
Q-o |
-20.2896 |
-11.4321 |
8 |
ALA1189Q, ARG3175o, ARG3178o, GLU1185Q, GLU1186Q, HIS1179Q, LYS1181Q, LYS3181o |
O-o |
-66.6619 |
16.3389 |
34 |
ARG1030O, ARG1048O, ARG1175O, ARG3030o, ARG3048o, ARG3175o, ASP1027O, ASP1029O, ASP1117O, ASP1160O, ASP3027o, ASP3029o, ASP3117o, ASP3160o, GLN1209O, GLU1049O, GLU1079O, GLU3049o, GLU3079o, HIS1047O, HIS1122O, HIS1179O, HIS3047o, HIS3122o, HIS3179o, ILE1069O, ILE3069o, LEU1116O, LEU3116o, SER1208O, SER3173o, SER3208o, TYR1172O, TYR3172o |
|