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 |
-17.964 |
-0.1667 |
1857.13 |
1838.9993 |
110 |
289 |
6 |
13389 |
0 |
17 |
12 |
|
A-C |
-45.0566 |
-49.6863 |
941.079 |
846.3361 |
107 |
214 |
6 |
12784 |
3 |
33 |
35 |
|
A-G |
0.0 |
0.0 |
-0.0015 |
-0.0015 |
2 |
0 |
0 |
1 |
0 |
1 |
3 |
|
A-H |
0.0 |
0.0 |
-7.1291 |
-7.1291 |
9 |
0 |
0 |
342 |
0 |
0 |
0 |
|
A-8 |
-221.2985 |
50.1701 |
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 |
-38.6617 |
0.8677 |
7 |
ASN552A, ASP51V, ASP556A, GLY48V, LEU554A, LYS50V, MET47V |
B-C |
0.0 |
0.0 |
-2.4065 |
-2.4065 |
15 |
0 |
0 |
335 |
0 |
4 |
4 |
|
B-H |
0.0 |
0.0 |
8.301 |
8.301 |
21 |
3 |
0 |
555 |
0 |
6 |
8 |
|
B-I |
0.0 |
-3.1072 |
-0.528 |
-3.6352 |
9 |
0 |
0 |
114 |
0 |
6 |
5 |
|
D-E |
-23.1077 |
-0.0347 |
1241.62 |
1218.4776 |
118 |
302 |
7 |
14627 |
0 |
19 |
12 |
|
D-F |
-26.6493 |
-33.8413 |
1310.13 |
1249.6394 |
100 |
242 |
6 |
12663 |
4 |
31 |
28 |
|
D-K |
0.0 |
0.0 |
-3.7819 |
-3.7819 |
7 |
0 |
0 |
339 |
0 |
1 |
0 |
|
D-9 |
-220.7989 |
50.101 |
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 |
-38.8745 |
0.8798 |
7 |
ASN552D, ASP51W, ASP556D, GLY48W, LEU554D, LYS50W, MET47W |
E-F |
-5.0787 |
0.0 |
-14.5382 |
-19.6169 |
22 |
1 |
0 |
692 |
0 |
7 |
6 |
|
E-K |
-27.5477 |
38.5084 |
51.016 |
61.9767 |
25 |
24 |
0 |
1202 |
0 |
7 |
19 |
|
G-H |
-29.4807 |
9.7538 |
856.269 |
836.5421 |
125 |
238 |
9 |
16544 |
0 |
16 |
11 |
|
G-I |
-93.6032 |
5.449 |
582.143 |
493.9888 |
115 |
264 |
7 |
14181 |
8 |
43 |
44 |
|
G-V |
-220.1193 |
50.0206 |
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 |
-18.2494 |
15.7577 |
8 |
ARG95X, ASP556G, GLU557G, GLU57X, GLY46X, GLY48X, LYS50X, LYS567G |
H-I |
0.0 |
0.0 |
-1.5777 |
-1.5777 |
13 |
0 |
0 |
185 |
0 |
4 |
12 |
|
J-K |
-13.1774 |
12.1867 |
664.496 |
663.5054 |
120 |
193 |
6 |
15019 |
0 |
15 |
12 |
|
J-L |
-81.0975 |
-10.3287 |
1389.82 |
1298.3938 |
91 |
264 |
5 |
12686 |
4 |
34 |
30 |
|
J-W |
-220.6545 |
50.0707 |
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 |
-9.5163 |
18.5252 |
6 |
ARG95Y, ASP556J, GLU57Y, GLY48Y, LYS50Y, LYS567J |
K-L |
0.0 |
0.0 |
-2.4015 |
-2.4015 |
12 |
0 |
0 |
232 |
0 |
3 |
8 |
|
M-N |
-17.119 |
21.6126 |
705.952 |
710.4456 |
120 |
183 |
5 |
14036 |
0 |
14 |
11 |
|
M-O |
-52.545 |
-13.1994 |
576.286 |
510.5416 |
113 |
198 |
7 |
13548 |
4 |
36 |
40 |
|
M-2 |
-175.1249 |
1.2487 |
10 |
ASN552M, ASP512, ASP556M, GLN412, GLN492, GLY462, GLY482, LYS567M, THR546M, THR548M |
M-Z |
-220.8085 |
50.1405 |
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 |
0.0 |
-3.3823 |
-3.3823 |
11 |
0 |
0 |
257 |
0 |
3 |
10 |
|
P-Q |
-12.0941 |
20.283 |
637.295 |
645.484 |
119 |
186 |
5 |
14144 |
0 |
14 |
11 |
|
P-R |
-47.0365 |
-5.6152 |
124.713 |
72.0613 |
61 |
95 |
1 |
5725 |
0 |
10 |
14 |
|
P-1 |
-220.6198 |
50.0487 |
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 |
P-3 |
-97.4337 |
2.6592 |
11 |
ASN552P, ASP513, ASP556P, GLN413, GLN493, GLY463, GLY483, MET473, SER549P, THR546P, THR548P |
Q-R |
0.0 |
0.0 |
-2.3902 |
-2.3902 |
5 |
0 |
0 |
162 |
0 |
0 |
1 |
|
1-2 |
0.0 |
9.452 |
7 |
ARG1962, ASP2861, GLU1952, GLU2702, HIS1731, LYS1131, LYS1912 |
1-3 |
-11.0586 |
-13.9589 |
7 |
ARG623, ASP2861, ASP2881, GLU1671, GLU2073, HIS403, VAL433 |
1-Y |
-37.4761 |
24.8677 |
10 |
ALA2041, ARG290Y, ASP2441, ASP286Y, ASP288Y, ASP292Y, GLU2051, GLU2071, LYS291Y, THR2021 |
1-Z |
-4.3471 |
3.3243 |
8 |
ARG391, ASP286Z, GLU1951, GLU2701, GLU270Z, HIS173Z, LYS113Z, LYS1911 |
2-3 |
-4.4714 |
3.6 |
8 |
ARG393, ASP2862, GLU1953, GLU2702, GLU2703, HIS1732, LYS1132, LYS1913 |
2-4 |
0.0 |
-17.0381 |
6 |
ARG624, ASP2862, ASP2882, GLU1672, GLU2074, LYS614 |
2-Z |
-7.2175 |
-14.874 |
6 |
ARG622, ASP286Z, ASP288Z, GLU167Z, GLU2072, VAL432 |
3-4 |
-3.5258 |
2.872 |
8 |
ARG394, ASP2863, GLU1954, GLU2703, GLU2704, HIS1733, LYS1133, LYS1914 |
3-5 |
-7.2538 |
-13.5398 |
10 |
ARG2903, ARG625, ASP2445, ASP2863, ASP2883, GLU1673, GLU2055, GLU2075, LYS615, THR3243 |
4-5 |
-3.0277 |
2.6829 |
8 |
ARG395, ASP2864, GLU1955, GLU2704, GLU2705, HIS1734, LYS1134, LYS1915 |
4-6 |
0.0 |
-15.9611 |
9 |
ARG2904, ARG626, ASP2446, ASP2864, ASP2884, GLU1674, GLU2056, GLU2076, LYS616 |
5-6 |
-4.3221 |
3.3259 |
8 |
ARG396, ASP2865, GLU1956, GLU2705, GLU2706, HIS1735, LYS1135, LYS1916 |
7-8 |
0.0 |
2.3762 |
6 |
ASP2867, GLU1958, GLU2708, HIS1737, LYS1137, LYS1918 |
7-9 |
-29.0564 |
-17.3673 |
11 |
ARG2907, ARG629, ASP2449, ASP2867, ASP2887, GLU1677, GLU2059, GLU2079, LYS619, THR2039, THR3247 |
8-9 |
0.0 |
2.3754 |
6 |
ASP2868, GLU1959, GLU2709, HIS1738, LYS1138, LYS1919 |
8-V |
-29.0495 |
-17.3569 |
11 |
ARG2908, ARG62V, ASP244V, ASP2868, ASP2888, GLU1678, GLU205V, GLU207V, LYS61V, THR203V, THR3248 |
9-V |
0.0 |
2.3761 |
6 |
ASP2869, GLU195V, GLU270V, HIS1739, LYS1139, LYS191V |
9-W |
-29.1329 |
-17.3745 |
11 |
ARG2909, ARG62W, ASP244W, ASP2869, ASP2889, GLU1679, GLU205W, GLU207W, LYS61W, THR203W, THR3249 |
V-W |
0.0 |
2.3754 |
6 |
ASP286V, GLU195W, GLU270W, HIS173V, LYS113V, LYS191W |
V-X |
-62.8999 |
9.3122 |
15 |
ALA204X, ARG290V, ASP244X, ASP286V, ASP288V, GLU167V, GLU205X, GLU207X, GLY245X, ILE287V, LYS291V, LYS61X, THR202X, THR203X, THR324V |
W-X |
0.0 |
-2.1848 |
2 |
ARG62X, GLU270W |
W-Y |
-55.3227 |
12.4324 |
11 |
ALA204Y, ARG290W, ASP244Y, ASP286W, ASP288W, GLU205Y, GLU207Y, ILE287W, LYS291W, THR202Y, THR203Y |
X-Y |
0.0 |
2.142 |
6 |
ASP286X, GLU195Y, GLU270Y, HIS173X, LYS113X, LYS191Y |
X-Z |
-63.1899 |
44.1662 |
12 |
ALA204Z, ARG290X, ASP244Z, ASP286X, ASP288X, ASP292X, GLU205Z, GLU207Z, GLU241Z, LYS291X, PRO243Z, THR202Z |
Y-Z |
0.0 |
-3.3335 |
2 |
ARG62Z, GLU270Y |
|