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-O |
-15.3577 |
9.7524 |
-171.467 |
-177.0723 |
43 |
8 |
5 |
6227 |
0 |
5 |
2 |
|
A-B |
-99.4301 |
-80.1886 |
-383.112 |
-562.7308 |
178 |
31 |
7 |
16162 |
8 |
82 |
76 |
|
A-P |
-3.6842 |
2.7071 |
-14.8916 |
-15.8686 |
10 |
0 |
0 |
686 |
0 |
0 |
1 |
|
A-G |
-120.3167 |
-82.8437 |
-398.268 |
-601.4284 |
178 |
34 |
10 |
16949 |
11 |
85 |
81 |
|
A-U |
-2.5885 |
0.0 |
-9.9017 |
-12.4902 |
8 |
2 |
0 |
401 |
0 |
0 |
0 |
|
A-L |
-14.2445 |
3.1996 |
-34.3855 |
-45.4304 |
22 |
4 |
1 |
1439 |
0 |
6 |
5 |
|
A-M |
0.0 |
28.7242 |
-19.5744 |
9.1498 |
24 |
1 |
6 |
1243 |
0 |
4 |
3 |
|
O-B |
-4.5812 |
0.0 |
-12.2413 |
-16.8225 |
8 |
0 |
0 |
410 |
0 |
0 |
0 |
|
O-P |
0.0 |
0.0 |
-5.5873 |
-5.5873 |
12 |
0 |
0 |
367 |
0 |
0 |
0 |
|
O-G |
-8.4553 |
2.5494 |
-18.9104 |
-24.8163 |
11 |
1 |
0 |
799 |
0 |
0 |
1 |
|
O-U |
0.0 |
0.0 |
-8.1382 |
-8.1382 |
12 |
0 |
0 |
452 |
0 |
0 |
0 |
|
B-P |
-18.6069 |
10.0396 |
-169.416 |
-177.9834 |
43 |
11 |
5 |
6138 |
0 |
5 |
2 |
|
B-C |
-129.0502 |
-84.3311 |
-392.718 |
-606.0993 |
179 |
36 |
9 |
17021 |
11 |
85 |
81 |
|
B-Q |
-7.285 |
2.6779 |
-17.2865 |
-21.8936 |
10 |
1 |
0 |
768 |
0 |
0 |
1 |
|
B-D |
0.0 |
0.0 |
-0.0006 |
-0.0006 |
2 |
0 |
0 |
2 |
0 |
0 |
0 |
|
B-K |
-16.0706 |
3.3491 |
-31.3748 |
-44.0962 |
22 |
1 |
1 |
1357 |
0 |
6 |
5 |
|
B-L |
0.0 |
23.9781 |
-20.9088 |
3.0693 |
30 |
1 |
4 |
1396 |
0 |
15 |
10 |
|
P-C |
-2.377 |
0.0 |
-6.2955 |
-8.6726 |
8 |
2 |
0 |
411 |
0 |
0 |
0 |
|
P-Q |
0.0 |
0.0 |
-7.5297 |
-7.5297 |
12 |
0 |
0 |
440 |
0 |
0 |
0 |
|
C-Q |
-20.2878 |
9.9171 |
-167.998 |
-178.3687 |
43 |
11 |
5 |
6222 |
0 |
5 |
2 |
|
C-D |
-109.6669 |
-82.3946 |
-384.497 |
-576.5585 |
173 |
31 |
8 |
16036 |
8 |
81 |
76 |
|
C-R |
0.0 |
2.565 |
-13.7726 |
-11.2076 |
10 |
0 |
0 |
656 |
0 |
0 |
1 |
|
C-J |
-14.1844 |
2.1695 |
-36.7194 |
-48.7344 |
23 |
4 |
1 |
1491 |
0 |
6 |
5 |
|
C-K |
0.0 |
29.597 |
-25.742 |
3.855 |
30 |
2 |
6 |
1582 |
0 |
16 |
11 |
|
Q-D |
-6.1601 |
0.0 |
-10.7171 |
-16.8772 |
8 |
1 |
0 |
419 |
0 |
0 |
0 |
|
Q-R |
0.0 |
0.0 |
-5.4768 |
-5.4768 |
12 |
0 |
0 |
366 |
0 |
0 |
0 |
|
D-R |
-18.3998 |
9.255 |
-168.309 |
-177.4538 |
43 |
12 |
5 |
6224 |
0 |
5 |
2 |
|
D-E |
-112.7342 |
-84.0105 |
-403.943 |
-600.6877 |
182 |
38 |
8 |
17194 |
11 |
86 |
82 |
|
D-S |
-6.6149 |
2.6042 |
-16.6895 |
-20.7002 |
10 |
0 |
0 |
745 |
0 |
0 |
1 |
|
D-I |
-14.3274 |
3.1923 |
-34.5938 |
-45.7288 |
22 |
3 |
1 |
1438 |
0 |
6 |
5 |
|
D-J |
0.0 |
27.4403 |
-20.6898 |
6.7505 |
30 |
1 |
4 |
1374 |
0 |
14 |
9 |
|
R-E |
-3.516 |
0.0 |
-12.3999 |
-15.9159 |
9 |
2 |
0 |
420 |
0 |
0 |
0 |
|
R-S |
0.0 |
0.0 |
-6.8198 |
-6.8198 |
12 |
0 |
0 |
413 |
0 |
0 |
0 |
|
E-S |
-19.5101 |
9.6557 |
-168.837 |
-178.6914 |
43 |
12 |
5 |
6178 |
0 |
5 |
2 |
|
E-F |
-116.2028 |
-83.2959 |
-379.356 |
-578.8546 |
178 |
34 |
10 |
16604 |
10 |
83 |
82 |
|
E-T |
0.0 |
2.5671 |
-15.1957 |
-12.6286 |
10 |
0 |
0 |
690 |
0 |
0 |
1 |
|
E-H |
-18.7133 |
3.2505 |
-37.7328 |
-53.1956 |
23 |
5 |
1 |
1582 |
1 |
6 |
5 |
|
E-I |
0.0 |
26.7306 |
-24.0278 |
2.7028 |
30 |
1 |
4 |
1545 |
0 |
18 |
11 |
|
S-F |
-3.3448 |
0.0 |
-11.2155 |
-14.5603 |
8 |
2 |
0 |
421 |
0 |
0 |
0 |
|
S-T |
0.0 |
0.0 |
-6.1109 |
-6.1109 |
12 |
0 |
0 |
391 |
0 |
0 |
0 |
|
F-T |
-20.8282 |
9.3463 |
-163.215 |
-174.6968 |
43 |
11 |
5 |
6087 |
0 |
5 |
2 |
|
F-G |
-96.6639 |
-79.198 |
-367.918 |
-543.7799 |
175 |
30 |
7 |
15979 |
8 |
81 |
79 |
|
F-U |
-3.7487 |
2.6224 |
-14.0122 |
-15.1385 |
10 |
0 |
0 |
665 |
0 |
0 |
1 |
|
F-H |
0.0 |
27.7992 |
-24.4555 |
3.3437 |
30 |
1 |
5 |
1540 |
0 |
16 |
11 |
|
F-N |
-13.2109 |
1.1787 |
3 |
GLU461F, GLU461N, SER463F |
T-G |
-4.171 |
0.0 |
-13.1047 |
-17.2757 |
9 |
1 |
0 |
459 |
0 |
0 |
0 |
|
T-U |
0.0 |
0.0 |
-6.1627 |
-6.1627 |
12 |
1 |
0 |
394 |
0 |
0 |
0 |
|
G-U |
-18.4685 |
10.0537 |
-173.958 |
-182.3728 |
43 |
14 |
5 |
6284 |
0 |
5 |
2 |
|
G-M |
-14.5493 |
3.2476 |
0.0 |
-11.3017 |
3 |
0 |
0 |
0 |
0 |
0 |
0 |
|
G-N |
0.0 |
27.4289 |
4 |
GLU434G, GLU434N, LYS441G, LYS441N |
H-V |
-21.7315 |
9.9807 |
-167.126 |
-178.8768 |
43 |
15 |
5 |
6162 |
0 |
5 |
2 |
|
H-I |
-127.996 |
-81.7885 |
-390.623 |
-600.4075 |
181 |
38 |
8 |
16857 |
10 |
86 |
83 |
|
H-W |
0.0 |
2.5846 |
-17.9296 |
-15.345 |
10 |
0 |
0 |
750 |
0 |
0 |
1 |
|
H-N |
-114.1317 |
-84.0257 |
40 |
ARG231H, ARG268N, ARG285H, ARG36N, ASN112H, ASN37N, ASP115H, ASP25N, ASP283H, ASP41N, ASP523H, ASP5H, CYS458N, CYS519H, GLU216N, GLU255H, GLU257H, GLU303H, GLU308H, GLU310H, GLU386N, GLU518H, GLU59N, GLU61N, GLU63N, LYS226H, LYS242N, LYS245N, LYS272N, LYS277H, LYS28N, LYS34N, LYS4H, LYS526H, LYS65H, THR181N, THR516H, THR522H, VAL39N, VAL521H |
H-2 |
-4.424 |
0.0 |
2 |
ARG231H, PRO6062 |
V-I |
-3.694 |
0.0 |
-12.3661 |
-16.0601 |
8 |
1 |
0 |
390 |
0 |
0 |
0 |
|
V-W |
0.0 |
0.0 |
-7.2868 |
-7.2868 |
12 |
1 |
0 |
460 |
0 |
0 |
0 |
|
V-N |
0.0 |
2.6791 |
2 |
ARG268N, HIS611V |
I-W |
-26.6982 |
10.1409 |
-154.437 |
-170.9943 |
43 |
11 |
5 |
6157 |
0 |
5 |
2 |
|
I-J |
-104.4707 |
-80.1179 |
-379.93 |
-564.5185 |
179 |
32 |
8 |
16263 |
8 |
83 |
80 |
|
I-X |
0.0 |
2.6001 |
-16.5195 |
-13.9194 |
10 |
0 |
0 |
711 |
0 |
0 |
1 |
|
W-J |
-4.8249 |
0.0 |
-10.3918 |
-15.2167 |
8 |
1 |
0 |
415 |
0 |
0 |
0 |
|
W-X |
0.0 |
0.0 |
-7.056 |
-7.056 |
12 |
1 |
0 |
438 |
0 |
0 |
0 |
|
J-X |
-21.3215 |
9.8267 |
-161.709 |
-173.2038 |
43 |
9 |
5 |
6088 |
0 |
5 |
2 |
|
J-K |
-110.399 |
-83.7512 |
-386.922 |
-581.0722 |
177 |
33 |
8 |
16367 |
9 |
83 |
77 |
|
J-Y |
0.0 |
2.5776 |
-14.6011 |
-12.0235 |
10 |
0 |
0 |
670 |
0 |
0 |
1 |
|
X-K |
-4.1375 |
0.0 |
-12.0129 |
-16.1504 |
8 |
0 |
0 |
384 |
0 |
0 |
0 |
|
X-Y |
0.0 |
0.0 |
-5.5893 |
-5.5893 |
12 |
0 |
0 |
379 |
0 |
0 |
0 |
|
K-Y |
-19.8783 |
9.196 |
-161.024 |
-171.7063 |
43 |
13 |
5 |
6107 |
0 |
5 |
2 |
|
K-L |
-103.5373 |
-81.4308 |
-354.629 |
-539.597 |
174 |
27 |
9 |
15663 |
9 |
81 |
75 |
|
K-Z |
-11.595 |
2.6366 |
-13.8897 |
-22.8481 |
10 |
0 |
0 |
694 |
0 |
0 |
1 |
|
Y-L |
-4.158 |
0.0 |
-12.3258 |
-16.4838 |
8 |
3 |
0 |
425 |
0 |
0 |
0 |
|
Y-Z |
0.0 |
0.0 |
-6.3758 |
-6.3758 |
12 |
0 |
0 |
392 |
0 |
0 |
0 |
|
L-Z |
-16.784 |
9.3246 |
-176.385 |
-183.8444 |
43 |
16 |
5 |
6435 |
0 |
5 |
2 |
|
L-M |
-110.6229 |
-82.9845 |
-150.483 |
-344.0904 |
118 |
9 |
3 |
6539 |
7 |
31 |
41 |
|
L-1 |
-6.1943 |
2.5938 |
3 |
ARG268L, HIS6111, SER6011 |
Z-M |
-3.0532 |
0.0 |
0.0 |
-3.0532 |
2 |
0 |
0 |
0 |
0 |
0 |
0 |
|
M-1 |
-20.4411 |
9.7549 |
6 |
ARG231M, ARG268M, GLU257M, GLY6081, HIS6111, PRO6121 |
M-N |
-106.2288 |
-80.9706 |
37 |
ALA2N, ARG268M, ARG285N, ARG36M, ASN112N, ASN37M, ASP115N, ASP25M, ASP41M, ASP523N, ASP5N, CYS458M, CYS519N, GLU216M, GLU255N, GLU257N, GLU303N, GLU308N, GLU310N, GLU386M, GLU518N, GLU59M, GLU61M, GLU63M, LYS226N, LYS242M, LYS245M, LYS272M, LYS277N, LYS34M, LYS4N, LYS526N, LYS65N, THR516N, THR522N, VAL39M, VAL521N |
M-2 |
-9.5771 |
2.729 |
4 |
ARG268M, HIS6112, PRO6122, SER6012 |
1-N |
-4.2017 |
0.0 |
2 |
ARG231N, PRO6061 |
N-2 |
-20.9379 |
10.1628 |
6 |
ARG231N, ARG268N, GLU257N, GLY6082, HIS6112, PRO6122 |
|