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-k |
0.0 |
4.5064 |
-13.6286 |
-9.1222 |
28 |
0 |
0 |
1314 |
0 |
7 |
12 |
|
B-H |
-18.8681 |
-34.5543 |
-63.8913 |
-117.3136 |
30 |
2 |
0 |
2301 |
1 |
8 |
15 |
|
B-P |
0.0 |
0.0 |
-9.7887 |
-9.7887 |
11 |
2 |
0 |
459 |
0 |
0 |
4 |
|
B-X |
0.0 |
0.0 |
-13.8902 |
-13.8902 |
9 |
0 |
0 |
570 |
0 |
0 |
3 |
|
B-a |
0.0 |
0.0 |
-2.2644 |
-2.2644 |
20 |
0 |
0 |
425 |
0 |
2 |
10 |
|
B-f |
0.0 |
0.0 |
-0.1328 |
-0.1328 |
9 |
0 |
0 |
61 |
0 |
0 |
0 |
|
B-m |
-51.6672 |
-3.0758 |
-294.768 |
-349.511 |
132 |
57 |
16 |
15197 |
0 |
17 |
28 |
|
B-x |
-2.5374 |
0.0 |
-131.816 |
-134.3534 |
42 |
24 |
0 |
5531 |
0 |
0 |
0 |
|
C-K |
0.0 |
-7.8001 |
-95.4746 |
-103.2747 |
55 |
4 |
0 |
4289 |
0 |
8 |
17 |
|
C-M |
-7.4718 |
6.7339 |
-138.62 |
-139.3579 |
54 |
15 |
3 |
5363 |
0 |
23 |
32 |
|
C-Z |
0.0 |
2.1763 |
-96.6283 |
-94.452 |
52 |
17 |
0 |
4065 |
0 |
9 |
19 |
|
C-g |
0.0 |
0.0 |
-0.0316 |
-0.0316 |
2 |
0 |
0 |
12 |
0 |
0 |
2 |
|
E-r |
0.0 |
0.0 |
-26.7163 |
-26.7163 |
14 |
1 |
0 |
875 |
0 |
0 |
0 |
|
E-Q |
-13.2726 |
25.4983 |
-82.8868 |
-70.6611 |
35 |
7 |
0 |
3299 |
0 |
8 |
27 |
|
G-N |
0.0 |
17.6469 |
-25.2219 |
-7.575 |
40 |
26 |
4 |
3972 |
0 |
13 |
18 |
|
G-V |
0.0 |
0.0 |
-0.1436 |
-0.1436 |
3 |
0 |
0 |
40 |
0 |
0 |
0 |
|
G-h |
0.0 |
1.2637 |
-32.4054 |
-31.1417 |
24 |
4 |
0 |
1690 |
0 |
0 |
11 |
|
G-j |
0.0 |
-21.8963 |
-62.5461 |
-84.4424 |
39 |
7 |
0 |
2712 |
1 |
10 |
9 |
|
G-D |
0.0 |
0.6809 |
0.0 |
0.6809 |
2 |
0 |
0 |
0 |
0 |
0 |
0 |
|
F-K |
0.0 |
-0.796 |
-12.4688 |
-13.2648 |
17 |
2 |
0 |
930 |
0 |
4 |
17 |
|
F-N |
-12.0315 |
12.3045 |
-95.9574 |
-95.6844 |
58 |
37 |
3 |
5715 |
1 |
8 |
14 |
|
F-d |
0.0 |
0.0 |
-0.0005 |
-0.0005 |
2 |
0 |
0 |
1 |
0 |
0 |
0 |
|
F-z |
0.0 |
0.0 |
-10.7799 |
-10.7799 |
27 |
0 |
0 |
1204 |
0 |
0 |
0 |
|
F-S |
0.0 |
1.3964 |
5 |
ARG159S, ARG163S, ASP42F, HIS58F, LYS164S |
H-P |
-3.205 |
-10.4006 |
-230.892 |
-244.4975 |
85 |
9 |
10 |
9892 |
0 |
31 |
22 |
|
H-X |
-11.2806 |
0.0 |
-86.8437 |
-98.1243 |
33 |
4 |
3 |
3598 |
0 |
2 |
12 |
|
H-k |
0.0 |
-7.0336 |
-8.9445 |
-15.9781 |
32 |
5 |
0 |
1201 |
0 |
17 |
15 |
|
H-q |
0.0 |
10.982 |
-64.4022 |
-53.4202 |
31 |
3 |
0 |
2412 |
0 |
7 |
28 |
|
H-x |
0.0 |
0.0 |
-15.6016 |
-15.6016 |
13 |
1 |
0 |
1086 |
0 |
0 |
0 |
|
s-J |
0.0 |
7.158 |
-42.2131 |
-35.0551 |
29 |
12 |
0 |
1752 |
0 |
7 |
10 |
|
s-t |
0.0 |
0.0 |
291.099 |
291.099 |
58 |
81 |
16 |
7409 |
0 |
1 |
0 |
|
s-u |
0.0 |
9.4018 |
-44.5372 |
-35.1354 |
53 |
47 |
13 |
6682 |
0 |
3 |
4 |
|
s-v |
-116.485 |
28.1487 |
-23.5443 |
-111.8806 |
75 |
59 |
13 |
7766 |
0 |
14 |
17 |
|
s-w |
0.0 |
-3.493 |
211.819 |
208.326 |
58 |
63 |
6 |
6842 |
0 |
4 |
1 |
|
K-N |
-7.8007 |
-7.2438 |
-134.719 |
-149.7635 |
56 |
17 |
3 |
5680 |
1 |
15 |
13 |
|
K-j |
-8.3793 |
-10.3725 |
-26.061 |
-44.8129 |
35 |
4 |
0 |
1571 |
2 |
6 |
9 |
|
N-j |
-17.797 |
0.0 |
-11.3485 |
-29.1455 |
34 |
2 |
0 |
1229 |
0 |
6 |
2 |
|
N-S |
-27.7283 |
2.5158 |
19 |
ARG13N, ARG159S, ARG163S, ARG74N, ARG97S, ASN11N, ASP148S, ASP40N, ASP98S, GLU16N, HIS145S, ILE38N, LYS142S, LYS157S, LYS42N, LYS43N, THR167S, VAL158S, VAL15N |
M-Z |
-28.4123 |
-1.6453 |
201.812 |
171.7544 |
55 |
80 |
10 |
5924 |
0 |
12 |
9 |
|
P-O |
0.0 |
0.0 |
-0.4641 |
-0.4641 |
4 |
0 |
0 |
69 |
0 |
0 |
1 |
|
P-c |
0.0 |
-1.983 |
-71.4928 |
-73.4758 |
38 |
4 |
1 |
3810 |
0 |
19 |
20 |
|
P-k |
-4.0432 |
8.7991 |
-134.991 |
-130.2352 |
43 |
16 |
1 |
5166 |
0 |
17 |
23 |
|
P-r |
0.0 |
0.0 |
-11.2755 |
-11.2755 |
14 |
0 |
0 |
492 |
0 |
2 |
1 |
|
O-R |
-4.4183 |
13.3134 |
-84.1526 |
-75.2576 |
50 |
3 |
0 |
3858 |
2 |
11 |
21 |
|
O-r |
0.0 |
0.0 |
-0.0058 |
-0.0058 |
2 |
0 |
0 |
8 |
0 |
0 |
1 |
|
O-L |
-16.0761 |
0.0 |
2 |
ARG117O, UNK152L |
R-U |
0.0 |
0.0 |
-0.4117 |
-0.4117 |
8 |
0 |
0 |
63 |
0 |
3 |
3 |
|
R-e |
0.0 |
-17.1784 |
-53.1978 |
-70.3762 |
27 |
3 |
0 |
2026 |
1 |
4 |
7 |
|
R-D |
-6.0409 |
-8.2595 |
50.9503 |
36.6499 |
41 |
24 |
1 |
2620 |
0 |
8 |
7 |
|
T-W |
0.0 |
0.0 |
-0.0775 |
-0.0775 |
2 |
0 |
0 |
22 |
0 |
0 |
0 |
|
T-X |
0.0 |
0.0 |
-0.1623 |
-0.1623 |
4 |
0 |
0 |
45 |
0 |
2 |
1 |
|
T-p |
-2.7884 |
0.0 |
-19.3607 |
-22.1491 |
16 |
1 |
0 |
687 |
0 |
0 |
5 |
|
U-e |
0.0 |
0.0 |
-12.9158 |
-12.9158 |
20 |
0 |
0 |
892 |
0 |
1 |
5 |
|
U-y |
0.0 |
0.0 |
-1.7563 |
-1.7563 |
8 |
0 |
0 |
206 |
0 |
0 |
0 |
|
U-Q |
0.0 |
1.5247 |
-84.8825 |
-83.3578 |
51 |
7 |
4 |
4247 |
0 |
6 |
16 |
|
V-g |
0.0 |
9.9577 |
-0.206 |
9.7517 |
6 |
0 |
0 |
27 |
0 |
2 |
6 |
|
V-j |
0.0 |
0.0 |
-8.0752 |
-8.0752 |
5 |
0 |
0 |
284 |
0 |
0 |
0 |
|
V-o |
0.0 |
0.0 |
-1.2918 |
-1.2918 |
5 |
0 |
0 |
115 |
0 |
0 |
3 |
|
V-D |
0.0 |
0.0 |
-0.1128 |
-0.1128 |
6 |
0 |
0 |
35 |
0 |
0 |
3 |
|
X-c |
-3.6475 |
17.199 |
-95.2829 |
-81.7314 |
65 |
4 |
3 |
5004 |
0 |
15 |
20 |
|
X-o |
0.0 |
3.7351 |
-41.0342 |
-37.2991 |
20 |
3 |
0 |
1986 |
0 |
0 |
10 |
|
Y-l |
0.0 |
0.0 |
-0.002 |
-0.002 |
3 |
0 |
0 |
2 |
0 |
0 |
0 |
|
Y-o |
0.0 |
0.0 |
-0.0673 |
-0.0673 |
7 |
0 |
0 |
31 |
0 |
0 |
2 |
|
Y-D |
-3.4595 |
35.074 |
0.0 |
31.6145 |
7 |
0 |
0 |
0 |
0 |
0 |
0 |
|
a-f |
0.0 |
-5.4536 |
-88.5308 |
-93.9844 |
36 |
7 |
3 |
3898 |
0 |
7 |
7 |
|
a-i |
-14.2251 |
28.1362 |
26.2136 |
40.1247 |
64 |
61 |
0 |
6698 |
0 |
7 |
22 |
|
a-m |
0.0 |
2.5564 |
-1.5943 |
0.962 |
11 |
0 |
0 |
280 |
0 |
0 |
7 |
|
a-p |
0.0 |
0.0 |
-0.0004 |
-0.0004 |
2 |
0 |
0 |
1 |
0 |
0 |
1 |
|
a-x |
0.0 |
0.0 |
-12.3865 |
-12.3865 |
21 |
3 |
0 |
889 |
0 |
0 |
0 |
|
d-z |
0.0 |
0.0 |
-0.0375 |
-0.0375 |
3 |
0 |
0 |
7 |
0 |
0 |
0 |
|
c-l |
0.0 |
5.82 |
-22.0231 |
-16.2031 |
28 |
2 |
0 |
1084 |
0 |
0 |
14 |
|
c-o |
0.0 |
0.0 |
-0.1139 |
-0.1139 |
2 |
0 |
0 |
21 |
0 |
0 |
0 |
|
f-i |
-68.1043 |
-3.3238 |
541.159 |
469.7308 |
40 |
67 |
1 |
3185 |
0 |
7 |
8 |
|
f-m |
0.0 |
6.9206 |
-36.8559 |
-29.9353 |
30 |
0 |
0 |
1892 |
0 |
2 |
9 |
|
f-x |
0.0 |
0.0 |
-10.294 |
-10.294 |
10 |
3 |
0 |
465 |
0 |
0 |
0 |
|
e-D |
-10.9688 |
7.9851 |
0.0 |
-2.9837 |
18 |
0 |
0 |
0 |
0 |
0 |
0 |
|
e-S |
-29.7029 |
37.8384 |
13 |
ALA65e, ALA69e, ARG28S, ARG67e, ASP68e, GLU233e, GLU234e, GLU36S, LYS127S, LYS30S, LYS66e, LYS69S, LYS70e |
h-j |
0.0 |
0.0 |
-0.6949 |
-0.6949 |
10 |
0 |
0 |
112 |
0 |
0 |
2 |
|
i-x |
0.0 |
0.0 |
-0.6656 |
-0.6656 |
11 |
0 |
0 |
169 |
0 |
0 |
0 |
|
l-o |
0.0 |
0.0 |
-24.4519 |
-24.4519 |
24 |
0 |
1 |
1543 |
0 |
0 |
15 |
|
l-D |
0.0 |
2.0711 |
-8.8421 |
-6.771 |
13 |
1 |
0 |
538 |
0 |
1 |
6 |
|
t-u |
0.0 |
0.0 |
-0.0908 |
-0.0908 |
8 |
0 |
0 |
30 |
0 |
3 |
3 |
|
t-v |
-4.3022 |
-5.6349 |
-16.3059 |
-26.243 |
60 |
89 |
24 |
8356 |
0 |
4 |
4 |
|
t-w |
-17.581 |
38.1073 |
418.46 |
438.9863 |
34 |
77 |
0 |
3801 |
1 |
8 |
14 |
|
u-w |
-9.3809 |
-6.3201 |
400.54 |
384.839 |
66 |
128 |
24 |
9217 |
0 |
4 |
7 |
|
|