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 |
-18.9128 |
-0.204 |
1737.11 |
1717.9932 |
110 |
290 |
6 |
13391 |
0 |
17 |
12 |
|
A-C |
-44.5826 |
-49.8106 |
941.737 |
847.3438 |
107 |
218 |
6 |
12784 |
3 |
34 |
35 |
|
A-G |
0.0 |
0.0 |
-0.0015 |
-0.0015 |
2 |
0 |
0 |
1 |
0 |
1 |
3 |
|
A-H |
0.0 |
0.0 |
-7.2722 |
-7.2722 |
9 |
0 |
0 |
343 |
0 |
0 |
0 |
|
A-8 |
-221.1688 |
50.1983 |
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 |
-38.6563 |
0.8759 |
7 |
ASN552A, ASP51V, ASP556A, GLY48V, LEU554A, LYS50V, MET47V |
B-C |
0.0 |
0.0 |
-2.5048 |
-2.5048 |
15 |
0 |
0 |
340 |
0 |
4 |
4 |
|
B-H |
0.0 |
0.0 |
-0.918 |
-0.918 |
21 |
3 |
0 |
547 |
0 |
6 |
8 |
|
B-I |
0.0 |
-3.1147 |
-0.5356 |
-3.6503 |
9 |
0 |
0 |
114 |
0 |
6 |
5 |
|
D-E |
-22.4781 |
1.2917 |
1353.72 |
1332.5336 |
118 |
305 |
6 |
14590 |
0 |
19 |
12 |
|
D-F |
-20.8617 |
-34.5483 |
1198.23 |
1142.82 |
100 |
244 |
6 |
12634 |
4 |
32 |
27 |
|
D-K |
0.0 |
0.0 |
-4.2797 |
-4.2797 |
7 |
0 |
0 |
362 |
0 |
1 |
0 |
|
D-9 |
-220.7088 |
50.0873 |
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 |
-38.7905 |
0.8722 |
7 |
ASN552D, ASP51W, ASP556D, GLY48W, LEU554D, LYS50W, MET47W |
E-F |
-4.8736 |
0.0 |
-14.8348 |
-19.7084 |
22 |
2 |
0 |
692 |
0 |
7 |
6 |
|
E-K |
-26.238 |
38.0699 |
55.0778 |
66.9097 |
25 |
25 |
0 |
1194 |
0 |
7 |
19 |
|
G-H |
-29.8146 |
10.2566 |
774.397 |
754.839 |
125 |
233 |
9 |
16550 |
0 |
16 |
11 |
|
G-I |
-94.5565 |
8.171 |
527.303 |
440.9174 |
115 |
262 |
6 |
14117 |
7 |
43 |
46 |
|
G-V |
-220.0507 |
50.0202 |
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 |
-18.495 |
15.7419 |
8 |
ARG95X, ASP556G, GLU557G, GLU57X, GLY46X, GLY48X, LYS50X, LYS567G |
H-I |
0.0 |
0.0 |
-1.6145 |
-1.6145 |
13 |
0 |
0 |
187 |
0 |
4 |
12 |
|
J-K |
-14.0425 |
12.035 |
751.479 |
749.4714 |
121 |
191 |
6 |
15008 |
0 |
15 |
12 |
|
J-L |
-84.7467 |
-12.1741 |
1651.25 |
1554.3291 |
91 |
260 |
5 |
12660 |
3 |
34 |
29 |
|
J-W |
-220.8942 |
50.0867 |
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 |
-9.5309 |
18.5185 |
6 |
ARG95Y, ASP556J, GLU57Y, GLY48Y, LYS50Y, LYS567J |
K-L |
0.0 |
0.0 |
-2.4471 |
-2.4471 |
12 |
0 |
0 |
235 |
0 |
3 |
9 |
|
M-N |
-12.9901 |
18.8511 |
663.092 |
668.953 |
120 |
184 |
5 |
14245 |
0 |
15 |
11 |
|
M-O |
-54.8309 |
-60.692 |
468.133 |
352.6101 |
115 |
221 |
5 |
14427 |
6 |
41 |
38 |
|
M-2 |
-28.0712 |
2.5192 |
11 |
ASN552M, ASP512, ASP556M, GLN412, GLN492, LYS567M, MET472, SER549M, THR546M, THR548M, VAL452 |
M-Z |
-220.7338 |
50.1042 |
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 |
-3.6136 |
-3.6136 |
12 |
0 |
0 |
267 |
0 |
3 |
10 |
|
P-Q |
-14.9602 |
18.1394 |
879.677 |
882.8563 |
121 |
193 |
5 |
14608 |
0 |
15 |
12 |
|
P-R |
-93.0457 |
-82.5785 |
519.877 |
344.2528 |
67 |
124 |
1 |
6301 |
0 |
10 |
12 |
|
P-1 |
-220.7646 |
50.1036 |
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 |
1.7462 |
-2.4455 |
-0.6994 |
8 |
0 |
0 |
174 |
0 |
0 |
1 |
|
1-2 |
-7.9814 |
20.3375 |
11 |
ARG1771, ARG1962, ARG2562, ASP2861, ASP2881, GLU1952, GLU2532, GLU2702, HIS1731, LYS1131, LYS1912 |
1-3 |
-19.1597 |
-47.8386 |
11 |
ARG393, ARG623, ASP2861, ASP2881, ASP2921, GLU1671, GLY633, HIS403, LYS2911, LYS613, VAL433 |
1-Y |
-73.1296 |
53.7159 |
13 |
ALA2041, ARG290Y, ASP2441, ASP286Y, ASP288Y, ASP292Y, GLU2051, GLU2071, GLU2411, LYS291Y, LYS326Y, PRO2431, THR2021 |
1-Z |
0.0 |
-2.1843 |
2 |
ARG621, GLU270Z |
2-3 |
-4.4677 |
3.603 |
8 |
ARG393, ASP2862, GLU1953, GLU2702, GLU2703, HIS1732, LYS1132, LYS1913 |
2-4 |
0.0 |
-17.0468 |
6 |
ARG624, ASP2862, ASP2882, GLU1672, GLU2074, LYS614 |
2-Z |
0.0 |
-17.7516 |
6 |
ARG622, ASP286Z, ASP288Z, GLU167Z, GLU2072, LYS612 |
3-4 |
-3.5496 |
2.8706 |
8 |
ARG394, ASP2863, GLU1954, GLU2703, GLU2704, HIS1733, LYS1133, LYS1914 |
3-5 |
-7.2357 |
-13.5461 |
10 |
ARG2903, ARG625, ASP2445, ASP2863, ASP2883, GLU1673, GLU2055, GLU2075, LYS615, THR3243 |
4-5 |
-2.9916 |
2.6859 |
8 |
ARG395, ASP2864, GLU1955, GLU2704, GLU2705, HIS1734, LYS1134, LYS1915 |
4-6 |
0.0 |
-15.9515 |
9 |
ARG2904, ARG626, ASP2446, ASP2864, ASP2884, GLU1674, GLU2056, GLU2076, LYS616 |
5-6 |
-4.3377 |
3.3265 |
8 |
ARG396, ASP2865, GLU1956, GLU2705, GLU2706, HIS1735, LYS1135, LYS1916 |
7-8 |
0.0 |
2.3764 |
6 |
ASP2867, GLU1958, GLU2708, HIS1737, LYS1137, LYS1918 |
7-9 |
-29.1692 |
-17.3583 |
11 |
ARG2907, ARG629, ASP2449, ASP2867, ASP2887, GLU1677, GLU2059, GLU2079, LYS619, THR2039, THR3247 |
8-9 |
0.0 |
2.3768 |
6 |
ASP2868, GLU1959, GLU2709, HIS1738, LYS1138, LYS1919 |
8-V |
-28.9297 |
-17.3666 |
11 |
ARG2908, ARG62V, ASP244V, ASP2868, ASP2888, GLU1678, GLU205V, GLU207V, LYS61V, THR203V, THR3248 |
9-V |
0.0 |
2.3755 |
6 |
ASP2869, GLU195V, GLU270V, HIS1739, LYS1139, LYS191V |
9-W |
-29.1932 |
-17.3657 |
11 |
ARG2909, ARG62W, ASP244W, ASP2869, ASP2889, GLU1679, GLU205W, GLU207W, LYS61W, THR203W, THR3249 |
V-W |
0.0 |
2.3761 |
6 |
ASP286V, GLU195W, GLU270W, HIS173V, LYS113V, LYS191W |
V-X |
-62.917 |
9.3363 |
15 |
ALA204X, ARG290V, ASP244X, ASP286V, ASP288V, GLU167V, GLU205X, GLU207X, GLY245X, ILE287V, LYS291V, LYS61X, THR202X, THR203X, THR324V |
W-X |
0.0 |
-2.182 |
2 |
ARG62X, GLU270W |
W-Y |
-55.2124 |
12.4181 |
11 |
ALA204Y, ARG290W, ASP244Y, ASP286W, ASP288W, GLU205Y, GLU207Y, ILE287W, LYS291W, THR202Y, THR203Y |
X-Y |
0.0 |
2.1449 |
6 |
ASP286X, GLU195Y, GLU270Y, HIS173X, LYS113X, LYS191Y |
X-Z |
-43.0351 |
29.6891 |
11 |
ALA204Z, ARG290X, ASP244Z, ASP286X, ASP288X, ASP292X, GLU205Z, GLU207Z, GLU241Z, LYS291X, THR202Z |
Y-Z |
0.0 |
-2.8304 |
2 |
ARG62Z, GLU270Y |
|