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-H |
0.0 |
0.0 |
-6.0657 |
-6.0657 |
8 |
0 |
0 |
341 |
0 |
0 |
0 |
|
A-8 |
-221.0359 |
50.1794 |
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 |
-38.6276 |
0.8732 |
7 |
ASN552A, ASP51V, ASP556A, GLY48V, LEU554A, LYS50V, MET47V |
D-E |
-25.9241 |
13.2389 |
1487.11 |
1474.4247 |
115 |
297 |
7 |
14501 |
0 |
17 |
13 |
|
D-F |
-23.2275 |
-53.2507 |
1095.71 |
1019.2318 |
100 |
247 |
8 |
12624 |
4 |
34 |
29 |
|
D-K |
0.0 |
0.0 |
-6.4412 |
-6.4412 |
10 |
0 |
0 |
436 |
0 |
1 |
0 |
|
D-9 |
-220.6116 |
50.0868 |
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 |
-38.8001 |
0.8759 |
7 |
ASN552D, ASP51W, ASP556D, GLY48W, LEU554D, LYS50W, MET47W |
E-F |
-6.5741 |
0.0 |
-16.5705 |
-23.1446 |
24 |
3 |
0 |
727 |
0 |
7 |
5 |
|
E-K |
-23.1958 |
38.6376 |
58.4994 |
73.9412 |
25 |
21 |
0 |
1144 |
0 |
7 |
19 |
|
G-H |
-28.1003 |
5.9805 |
719.576 |
697.4563 |
124 |
231 |
8 |
16244 |
0 |
16 |
11 |
|
G-I |
-109.1296 |
-9.5405 |
1194.82 |
1076.1499 |
119 |
291 |
6 |
14992 |
8 |
42 |
44 |
|
G-V |
-219.9611 |
50.0024 |
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 |
-18.3957 |
15.7466 |
8 |
ARG95X, ASP556G, GLU557G, GLU57X, GLY46X, GLY48X, LYS50X, LYS567G |
H-I |
0.0 |
0.0 |
-1.2083 |
-1.2083 |
13 |
0 |
0 |
163 |
0 |
4 |
10 |
|
J-K |
-15.252 |
26.236 |
773.919 |
784.903 |
120 |
206 |
6 |
15157 |
0 |
16 |
12 |
|
J-L |
-71.132 |
-28.95 |
928.903 |
828.821 |
92 |
246 |
5 |
12414 |
3 |
33 |
31 |
|
J-W |
-220.9326 |
50.0854 |
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 |
-9.516 |
18.5175 |
6 |
ARG95Y, ASP556J, GLU57Y, GLY48Y, LYS50Y, LYS567J |
K-L |
0.0 |
0.0 |
-2.0335 |
-2.0335 |
12 |
0 |
0 |
216 |
0 |
3 |
8 |
|
M-N |
-50.4406 |
15.8873 |
1051.76 |
1017.2067 |
129 |
253 |
10 |
17141 |
0 |
17 |
14 |
|
M-O |
-125.3518 |
32.8743 |
785.037 |
692.5595 |
112 |
261 |
6 |
14539 |
4 |
41 |
37 |
|
M-2 |
-41.9823 |
1.7337 |
12 |
ASN552M, ASP512, ASP556M, GLN492, GLY482, LYS502, LYS567M, MET472, SER549M, THR546M, THR548M, VAL452 |
M-Z |
-220.7122 |
50.1059 |
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 |
-0.1298 |
-0.1298 |
2 |
0 |
0 |
44 |
0 |
2 |
4 |
|
P-Q |
-36.7917 |
13.8738 |
833.258 |
810.3401 |
129 |
262 |
9 |
17032 |
0 |
18 |
13 |
|
P-R |
-104.3789 |
-86.2937 |
945.096 |
754.4234 |
111 |
276 |
6 |
14903 |
8 |
48 |
39 |
|
P-1 |
-220.9801 |
50.0895 |
3039.95 |
2869.0594 |
92 |
401 |
1 |
10464 |
0 |
34 |
38 |
|
P-3 |
-97.3597 |
2.6597 |
11 |
ASN552P, ASP513, ASP556P, GLN413, GLN493, GLY463, GLY483, MET473, SER549P, THR546P, THR548P |
1-2 |
0.0 |
9.4518 |
7 |
ARG1962, ASP2861, GLU1952, GLU2702, HIS1731, LYS1131, LYS1912 |
1-3 |
-11.0734 |
-13.9571 |
7 |
ARG623, ASP2861, ASP2881, GLU1671, GLU2073, HIS403, VAL433 |
1-Y |
-37.4992 |
24.8575 |
10 |
ALA2041, ARG290Y, ASP2441, ASP286Y, ASP288Y, ASP292Y, GLU2051, GLU2071, LYS291Y, THR2021 |
1-Z |
0.0 |
2.2513 |
6 |
ASP286Z, GLU1951, GLU2701, HIS173Z, LYS113Z, LYS1911 |
2-3 |
-4.4561 |
3.599 |
8 |
ARG393, ASP2862, GLU1953, GLU2702, GLU2703, HIS1732, LYS1132, LYS1913 |
2-4 |
0.0 |
-17.0417 |
6 |
ARG624, ASP2862, ASP2882, GLU1672, GLU2074, LYS614 |
2-Z |
0.0 |
-17.6259 |
6 |
ARG622, ASP286Z, ASP288Z, GLU167Z, GLU2072, LYS612 |
3-4 |
-3.5352 |
2.8706 |
8 |
ARG394, ASP2863, GLU1954, GLU2703, GLU2704, HIS1733, LYS1133, LYS1914 |
3-5 |
-7.2517 |
-13.5457 |
10 |
ARG2903, ARG625, ASP2445, ASP2863, ASP2883, GLU1673, GLU2055, GLU2075, LYS615, THR3243 |
4-5 |
-3.0104 |
2.6844 |
8 |
ARG395, ASP2864, GLU1955, GLU2704, GLU2705, HIS1734, LYS1134, LYS1915 |
4-6 |
0.0 |
-15.9567 |
9 |
ARG2904, ARG626, ASP2446, ASP2864, ASP2884, GLU1674, GLU2056, GLU2076, LYS616 |
5-6 |
-4.3323 |
3.3272 |
8 |
ARG396, ASP2865, GLU1956, GLU2705, GLU2706, HIS1735, LYS1135, LYS1916 |
7-8 |
0.0 |
2.3764 |
6 |
ASP2867, GLU1958, GLU2708, HIS1737, LYS1137, LYS1918 |
7-9 |
-28.9796 |
-17.3608 |
11 |
ARG2907, ARG629, ASP2449, ASP2867, ASP2887, GLU1677, GLU2059, GLU2079, LYS619, THR2039, THR3247 |
8-9 |
0.0 |
2.3752 |
6 |
ASP2868, GLU1959, GLU2709, HIS1738, LYS1138, LYS1919 |
8-V |
-29.1317 |
-17.3574 |
11 |
ARG2908, ARG62V, ASP244V, ASP2868, ASP2888, GLU1678, GLU205V, GLU207V, LYS61V, THR203V, THR3248 |
9-V |
0.0 |
2.3763 |
6 |
ASP2869, GLU195V, GLU270V, HIS1739, LYS1139, LYS191V |
9-W |
-28.9557 |
-17.3598 |
11 |
ARG2909, ARG62W, ASP244W, ASP2869, ASP2889, GLU1679, GLU205W, GLU207W, LYS61W, THR203W, THR3249 |
V-W |
0.0 |
2.3756 |
6 |
ASP286V, GLU195W, GLU270W, HIS173V, LYS113V, LYS191W |
V-X |
-62.9338 |
9.3122 |
15 |
ALA204X, ARG290V, ASP244X, ASP286V, ASP288V, GLU167V, GLU205X, GLU207X, GLY245X, ILE287V, LYS291V, LYS61X, THR202X, THR203X, THR324V |
W-X |
0.0 |
-2.1825 |
2 |
ARG62X, GLU270W |
W-Y |
-55.3287 |
12.4307 |
11 |
ALA204Y, ARG290W, ASP244Y, ASP286W, ASP288W, GLU205Y, GLU207Y, ILE287W, LYS291W, THR202Y, THR203Y |
X-Y |
0.0 |
2.1427 |
6 |
ASP286X, GLU195Y, GLU270Y, HIS173X, LYS113X, LYS191Y |
X-Z |
-46.7058 |
27.2892 |
11 |
ALA204Z, ARG290X, ASP244Z, ASP286X, ASP288X, ASP292X, GLU205Z, GLU207Z, GLU241Z, LYS291X, THR202Z |
Y-Z |
0.0 |
-2.7407 |
2 |
ARG62Z, GLU270Y |
|