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 |
-28.1216 |
-0.2876 |
1241.24 |
1212.8308 |
112 |
310 |
6 |
13573 |
0 |
17 |
13 |
|
A-C |
-41.3431 |
-47.6937 |
1321.7 |
1232.6632 |
106 |
226 |
6 |
12829 |
4 |
35 |
35 |
|
A-G |
0.0 |
0.0 |
-0.0038 |
-0.0038 |
2 |
0 |
0 |
4 |
0 |
1 |
3 |
|
A-H |
0.0 |
0.0 |
-6.9052 |
-6.9052 |
9 |
0 |
0 |
315 |
0 |
1 |
0 |
|
A-8 |
-221.4324 |
50.2067 |
41 |
ALA268, ARG1478, ARG288, ARG3358, ARG654A, ASN410A, ASP18, ASP248, ASP258, ASP38, GLN3548, GLN647A, GLU28, GLU3348, GLU411A, GLU48, GLU537A, GLU539A, GLU629A, GLU631A, GLU655A, GLY1468, GLY632A, GLY633A, GLY635A, GLY639A, ILE3418, LYS544A, LYS636A, LYS637A, LYS640A, LYS641A, LYS642A, PRO529A, SER1418, SER1458, SER3448, SER3488, SER3508, THR3518, TRP3408 |
A-V |
-38.7381 |
0.8741 |
7 |
ASN552A, ASP51V, ASP556A, GLY48V, LEU554A, LYS50V, MET47V |
B-C |
0.0 |
0.0 |
-3.1395 |
-3.1395 |
18 |
0 |
0 |
383 |
0 |
5 |
4 |
|
B-H |
0.0 |
0.0 |
60.694 |
60.694 |
22 |
7 |
0 |
611 |
0 |
6 |
8 |
|
B-I |
0.0 |
-3.177 |
-0.6133 |
-3.7903 |
9 |
0 |
0 |
121 |
0 |
6 |
5 |
|
D-E |
-34.9465 |
9.9868 |
1205.89 |
1180.9303 |
119 |
295 |
7 |
14582 |
0 |
17 |
12 |
|
D-F |
-33.2451 |
-32.6589 |
1422.07 |
1356.166 |
101 |
250 |
6 |
12734 |
4 |
33 |
28 |
|
D-K |
0.0 |
0.0 |
-3.8258 |
-3.8258 |
7 |
0 |
0 |
330 |
0 |
1 |
0 |
|
D-9 |
-220.8728 |
50.1491 |
41 |
ALA269, ARG1479, ARG289, ARG3359, ARG654D, ASN410D, ASP19, ASP249, ASP259, ASP39, GLN3549, GLN647D, GLU29, GLU3349, GLU411D, GLU49, GLU537D, GLU539D, GLU629D, GLU631D, GLU655D, GLY1469, GLY632D, GLY633D, GLY635D, GLY639D, ILE3419, LYS544D, LYS636D, LYS637D, LYS640D, LYS641D, LYS642D, PRO529D, SER1419, SER1459, SER3449, SER3489, SER3509, THR3519, TRP3409 |
D-W |
-38.7948 |
0.8786 |
7 |
ASN552D, ASP51W, ASP556D, GLY48W, LEU554D, LYS50W, MET47W |
E-F |
-4.0296 |
0.0 |
-15.0964 |
-19.126 |
22 |
2 |
0 |
698 |
0 |
7 |
6 |
|
E-K |
-25.1072 |
37.8608 |
83.2496 |
96.0031 |
25 |
26 |
0 |
1182 |
0 |
7 |
19 |
|
G-H |
-32.0626 |
10.1816 |
727.912 |
706.031 |
126 |
237 |
9 |
16627 |
0 |
16 |
11 |
|
G-I |
-110.1184 |
14.6308 |
790.242 |
694.7544 |
112 |
266 |
4 |
13843 |
6 |
42 |
47 |
|
G-V |
-220.472 |
50.0284 |
41 |
ALA26V, ARG147V, ARG28V, ARG335V, ARG654G, ASN410G, ASP1V, ASP24V, ASP25V, ASP3V, GLN354V, GLN647G, GLU2V, GLU334V, GLU411G, GLU4V, GLU537G, GLU539G, GLU629G, GLU631G, GLU655G, GLY146V, GLY632G, GLY633G, GLY635G, GLY639G, ILE341V, LYS544G, LYS636G, LYS637G, LYS640G, LYS641G, LYS642G, PRO529G, SER141V, SER145V, SER344V, SER348V, SER350V, THR351V, TRP340V |
G-X |
-18.3523 |
15.7692 |
8 |
ARG95X, ASP556G, GLU557G, GLU57X, GLY46X, GLY48X, LYS50X, LYS567G |
H-I |
0.0 |
0.0 |
-1.854 |
-1.854 |
13 |
0 |
0 |
203 |
0 |
5 |
14 |
|
J-K |
-12.7862 |
16.6889 |
387.94 |
391.8427 |
121 |
194 |
6 |
15047 |
0 |
15 |
12 |
|
J-L |
-92.1461 |
-22.3829 |
1356.49 |
1241.961 |
92 |
273 |
5 |
12625 |
3 |
32 |
29 |
|
J-W |
-221.1317 |
50.1304 |
41 |
ALA26W, ARG147W, ARG28W, ARG335W, ARG654J, ASN410J, ASP1W, ASP24W, ASP25W, ASP3W, GLN354W, GLN647J, GLU2W, GLU334W, GLU411J, GLU4W, GLU537J, GLU539J, GLU629J, GLU631J, GLU655J, GLY146W, GLY632J, GLY633J, GLY635J, GLY639J, ILE341W, LYS544J, LYS636J, LYS637J, LYS640J, LYS641J, LYS642J, PRO529J, SER141W, SER145W, SER344W, SER348W, SER350W, THR351W, TRP340W |
J-Y |
-9.6024 |
18.5184 |
6 |
ARG95Y, ASP556J, GLU57Y, GLY48Y, LYS50Y, LYS567J |
K-L |
0.0 |
0.0 |
-2.8417 |
-2.8417 |
12 |
0 |
0 |
254 |
0 |
3 |
10 |
|
M-N |
-11.8897 |
17.8479 |
466.515 |
472.4732 |
124 |
201 |
6 |
14871 |
0 |
15 |
12 |
|
M-O |
-203.691 |
-72.9691 |
2146.92 |
1870.2599 |
118 |
336 |
5 |
16254 |
4 |
50 |
35 |
|
M-2 |
-2.5382 |
0.0 |
2 |
ASN552M, GLN492 |
M-Z |
-220.9614 |
50.1353 |
41 |
ALA26Z, ARG147Z, ARG28Z, ARG335Z, ARG654M, ASN410M, ASP1Z, ASP24Z, ASP25Z, ASP3Z, GLN354Z, GLN647M, GLU2Z, GLU334Z, GLU411M, GLU4Z, GLU537M, GLU539M, GLU629M, GLU631M, GLU655M, GLY146Z, GLY632M, GLY633M, GLY635M, GLY639M, ILE341Z, LYS544M, LYS636M, LYS637M, LYS640M, LYS641M, LYS642M, PRO529M, SER141Z, SER145Z, SER344Z, SER348Z, SER350Z, THR351Z, TRP340Z |
N-O |
0.0 |
1.703 |
-5.6002 |
-3.8972 |
14 |
0 |
0 |
395 |
0 |
4 |
12 |
|
P-Q |
-11.0866 |
19.5861 |
612.39 |
620.8895 |
123 |
194 |
6 |
14648 |
0 |
15 |
11 |
|
P-R |
-266.1645 |
-33.7019 |
735.7 |
435.8336 |
73 |
131 |
1 |
6761 |
0 |
15 |
18 |
|
P-1 |
-220.9845 |
50.1279 |
41 |
ALA261, ARG1471, ARG281, ARG3351, ARG654P, ASN410P, ASP11, ASP241, ASP251, ASP31, GLN3541, GLN647P, GLU21, GLU3341, GLU41, GLU411P, GLU537P, GLU539P, GLU629P, GLU631P, GLU655P, GLY1461, GLY632P, GLY633P, GLY635P, GLY639P, ILE3411, LYS544P, LYS636P, LYS637P, LYS640P, LYS641P, LYS642P, PRO529P, SER1411, SER1451, SER3441, SER3481, SER3501, THR3511, TRP3401 |
Q-R |
0.0 |
1.9751 |
-2.7248 |
-0.7497 |
8 |
0 |
0 |
175 |
0 |
0 |
1 |
|
1-2 |
-7.9699 |
20.3654 |
11 |
ARG1771, ARG1962, ARG2562, ASP2861, ASP2881, GLU1952, GLU2532, GLU2702, HIS1731, LYS1131, LYS1912 |
1-3 |
-19.0944 |
-47.8937 |
11 |
ARG393, ARG623, ASP2861, ASP2881, ASP2921, GLU1671, GLY633, HIS403, LYS2911, LYS613, VAL433 |
1-Y |
-73.221 |
53.7511 |
13 |
ALA2041, ARG290Y, ASP2441, ASP286Y, ASP288Y, ASP292Y, GLU2051, GLU2071, GLU2411, LYS291Y, LYS326Y, PRO2431, THR2021 |
1-Z |
-3.0011 |
2.6862 |
8 |
ARG391, ASP286Z, GLU1951, GLU2701, GLU270Z, HIS173Z, LYS113Z, LYS1911 |
2-3 |
-4.4453 |
3.6049 |
8 |
ARG393, ASP2862, GLU1953, GLU2702, GLU2703, HIS1732, LYS1132, LYS1913 |
2-4 |
0.0 |
-17.0399 |
6 |
ARG624, ASP2862, ASP2882, GLU1672, GLU2074, LYS614 |
2-Z |
-4.3922 |
-35.0235 |
10 |
ARG392, ARG622, ASP286Z, ASP288Z, ASP292Z, GLU167Z, HIS402, LYS291Z, LYS612, VAL432 |
3-4 |
-3.5183 |
2.8759 |
8 |
ARG394, ASP2863, GLU1954, GLU2703, GLU2704, HIS1733, LYS1133, LYS1914 |
3-5 |
-7.2543 |
-13.5408 |
10 |
ARG2903, ARG625, ASP2445, ASP2863, ASP2883, GLU1673, GLU2055, GLU2075, LYS615, THR3243 |
4-5 |
-3.0176 |
2.6888 |
8 |
ARG395, ASP2864, GLU1955, GLU2704, GLU2705, HIS1734, LYS1134, LYS1915 |
4-6 |
0.0 |
-15.9403 |
9 |
ARG2904, ARG626, ASP2446, ASP2864, ASP2884, GLU1674, GLU2056, GLU2076, LYS616 |
5-6 |
-4.3272 |
3.3323 |
8 |
ARG396, ASP2865, GLU1956, GLU2705, GLU2706, HIS1735, LYS1135, LYS1916 |
7-8 |
0.0 |
2.3773 |
6 |
ASP2867, GLU1958, GLU2708, HIS1737, LYS1137, LYS1918 |
7-9 |
-29.2346 |
-17.3627 |
11 |
ARG2907, ARG629, ASP2449, ASP2867, ASP2887, GLU1677, GLU2059, GLU2079, LYS619, THR2039, THR3247 |
8-9 |
0.0 |
2.3792 |
6 |
ASP2868, GLU1959, GLU2709, HIS1738, LYS1138, LYS1919 |
8-V |
-28.8694 |
-17.3705 |
11 |
ARG2908, ARG62V, ASP244V, ASP2868, ASP2888, GLU1678, GLU205V, GLU207V, LYS61V, THR203V, THR3248 |
9-V |
0.0 |
2.3786 |
6 |
ASP2869, GLU195V, GLU270V, HIS1739, LYS1139, LYS191V |
9-W |
-29.3021 |
-17.3712 |
11 |
ARG2909, ARG62W, ASP244W, ASP2869, ASP2889, GLU1679, GLU205W, GLU207W, LYS61W, THR203W, THR3249 |
V-W |
0.0 |
2.3779 |
6 |
ASP286V, GLU195W, GLU270W, HIS173V, LYS113V, LYS191W |
V-X |
-63.0275 |
9.326 |
15 |
ALA204X, ARG290V, ASP244X, ASP286V, ASP288V, GLU167V, GLU205X, GLU207X, GLY245X, ILE287V, LYS291V, LYS61X, THR202X, THR203X, THR324V |
W-X |
0.0 |
-2.1859 |
2 |
ARG62X, GLU270W |
W-Y |
-55.3664 |
12.4529 |
11 |
ALA204Y, ARG290W, ASP244Y, ASP286W, ASP288W, GLU205Y, GLU207Y, ILE287W, LYS291W, THR202Y, THR203Y |
X-Y |
0.0 |
2.1456 |
6 |
ASP286X, GLU195Y, GLU270Y, HIS173X, LYS113X, LYS191Y |
X-Z |
-225.1385 |
61.8691 |
11 |
ALA204Z, ARG290X, ASP244Z, ASP286X, ASP288X, ASP292X, GLU205Z, GLU207Z, GLU241Z, LYS291X, THR202Z |
Y-Z |
0.0 |
-6.5461 |
2 |
ARG62Z, GLU270Y |
|