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. |
1-2 |
-147.287 |
-144.1679 |
-707.284 |
-998.7389 |
228 |
40 |
16 |
28079 |
13 |
79 |
77 |
|
1-3 |
-34.4456 |
-41.5088 |
-330.183 |
-406.1374 |
147 |
20 |
7 |
15396 |
5 |
47 |
55 |
|
1-7 |
0.0 |
3.1113 |
-22.2836 |
-19.1723 |
25 |
0 |
1 |
1256 |
0 |
3 |
16 |
|
2-3 |
-7.6605 |
68.6194 |
-150.455 |
-89.4961 |
58 |
12 |
0 |
5417 |
2 |
16 |
17 |
|
2-7 |
-37.9808 |
-58.8574 |
-143.26 |
-240.0983 |
83 |
13 |
8 |
7059 |
4 |
25 |
18 |
|
3-4 |
0.0 |
3.2678 |
-247.092 |
-243.8242 |
87 |
27 |
5 |
10627 |
1 |
20 |
21 |
|
3-5 |
-35.7356 |
-18.3912 |
-228.781 |
-282.9078 |
99 |
12 |
2 |
8850 |
4 |
26 |
26 |
|
3-7 |
-32.5421 |
-7.8802 |
-227.578 |
-268.0003 |
92 |
16 |
4 |
9322 |
8 |
52 |
61 |
|
3-8 |
-32.2931 |
-98.8566 |
-137.992 |
-269.1417 |
59 |
14 |
1 |
5877 |
6 |
30 |
24 |
|
4-5 |
-206.3549 |
-44.35 |
-729.115 |
-979.8199 |
236 |
50 |
15 |
30645 |
16 |
84 |
83 |
|
4-6 |
-22.5327 |
-38.5654 |
-266.585 |
-327.6831 |
110 |
19 |
5 |
11104 |
5 |
17 |
25 |
|
4-7 |
-15.0388 |
-57.1503 |
-71.7467 |
-143.9358 |
29 |
5 |
1 |
2761 |
3 |
9 |
13 |
|
4-8 |
-40.5491 |
-48.962 |
-267.059 |
-356.5701 |
98 |
7 |
5 |
10594 |
4 |
40 |
21 |
|
5-6 |
-24.7186 |
-4.8316 |
-82.2974 |
-111.8477 |
50 |
3 |
1 |
3502 |
0 |
12 |
5 |
|
5-8 |
-15.0966 |
-54.1877 |
-167.114 |
-236.3983 |
57 |
8 |
6 |
6338 |
7 |
12 |
12 |
|
6-8 |
-73.8047 |
-24.6256 |
-335.23 |
-433.6602 |
117 |
49 |
15 |
14578 |
3 |
35 |
42 |
|
7-8 |
-7.1403 |
28.5007 |
-93.8449 |
-72.4845 |
63 |
7 |
3 |
4626 |
0 |
22 |
24 |
|
A-B |
-157.8236 |
-68.7173 |
-630.71 |
-857.2509 |
235 |
34 |
12 |
24391 |
7 |
59 |
55 |
|
A-C |
-10.4192 |
-14.5424 |
-49.0437 |
-74.0053 |
33 |
3 |
0 |
2048 |
3 |
11 |
14 |
|
A-D |
-2.6955 |
4.325 |
-22.3086 |
-20.6791 |
33 |
0 |
1 |
1151 |
0 |
9 |
12 |
|
A-E |
-56.5787 |
-11.0475 |
-260.202 |
-327.8282 |
107 |
12 |
4 |
10220 |
1 |
31 |
30 |
|
A-F |
0.0 |
2.7196 |
-0.1839 |
2.5357 |
7 |
0 |
0 |
72 |
0 |
9 |
8 |
|
A-G |
-149.533 |
-58.3171 |
-289.033 |
-496.8832 |
72 |
16 |
2 |
9575 |
2 |
20 |
11 |
|
A-I |
-41.4902 |
20.3773 |
-220.33 |
-241.4429 |
89 |
19 |
5 |
8575 |
0 |
17 |
16 |
|
A-J |
-5.299 |
-10.6535 |
-31.0101 |
-46.9625 |
23 |
1 |
0 |
1119 |
0 |
4 |
5 |
|
A-f |
0.0 |
0.7642 |
4 |
ARG104f, GLU351A, HIS289A, LYS110f |
B-I |
-120.2026 |
-30.2565 |
-476.629 |
-627.0881 |
168 |
32 |
26 |
19353 |
2 |
17 |
18 |
|
B-b |
-45.0961 |
-220.7255 |
16 |
ARG169B, ARG169b, ARG421B, ARG421b, ASN429B, ASN429b, ASN61B, ASN61b, ASP437B, ASP437b, GLU243B, GLU243b, GLU438B, GLU438b, HIS240B, HIS240b |
B-f |
-6.2141 |
-34.3324 |
10 |
ARG104f, ARG133B, ARG134B, ARG49f, ARG87B, GLU100f, GLU103f, GLU136B, GLU96f, LYS84B |
C-D |
-42.749 |
-86.6658 |
-455.268 |
-584.6829 |
156 |
14 |
10 |
17626 |
12 |
37 |
38 |
|
C-E |
-11.8338 |
0.662 |
-140.257 |
-151.4288 |
52 |
2 |
1 |
4919 |
2 |
3 |
1 |
|
C-F |
-22.5862 |
23.826 |
-312.611 |
-311.3712 |
112 |
15 |
7 |
13572 |
1 |
38 |
29 |
|
C-G |
-12.9418 |
-56.9971 |
-281.469 |
-351.4079 |
111 |
4 |
7 |
10582 |
5 |
17 |
12 |
|
C-J |
0.0 |
0.0 |
-0.0065 |
-0.0065 |
2 |
0 |
0 |
4 |
0 |
0 |
0 |
|
C-K |
0.0 |
0.0 |
-0.1411 |
-0.1411 |
3 |
0 |
0 |
46 |
0 |
0 |
0 |
|
C-c |
0.0 |
27.3833 |
10 |
ARG177C, ARG177c, ASP58C, ASP58c, HIS54C, HIS54c, HIS68C, HIS68c, LYS172C, LYS172c |
C-e |
-13.8136 |
5.4243 |
8 |
ARG177C, ARG282C, ASP67e, HIS141e, HIS161e, LYS172C, LYS287C, MET62e |
D-E |
0.0 |
-16.9204 |
-143.019 |
-159.9394 |
90 |
8 |
4 |
6392 |
0 |
18 |
27 |
|
D-F |
-10.261 |
-20.4012 |
-86.8696 |
-117.5318 |
38 |
4 |
1 |
3338 |
1 |
9 |
13 |
|
D-G |
-69.3402 |
-14.6611 |
-206.522 |
-290.5233 |
62 |
11 |
4 |
7676 |
2 |
14 |
17 |
|
D-H |
-61.2053 |
-3.4302 |
-330.898 |
-395.5335 |
111 |
12 |
5 |
14098 |
0 |
19 |
27 |
|
D-J |
-64.4833 |
-87.8074 |
-276.105 |
-428.3957 |
83 |
8 |
6 |
9643 |
7 |
51 |
39 |
|
D-d |
-4.8237 |
1.08 |
6 |
ASN97D, ASN97d, GLU76D, GLU99d, GLY78D, GLY78d |
E-F |
0.0 |
0.0 |
-0.1006 |
-0.1006 |
3 |
0 |
0 |
26 |
0 |
1 |
0 |
|
E-G |
-30.5987 |
-66.5552 |
-161.802 |
-258.956 |
45 |
5 |
3 |
5787 |
3 |
12 |
14 |
|
E-J |
-12.4273 |
-15.1842 |
-194.319 |
-221.9305 |
59 |
7 |
15 |
7107 |
1 |
6 |
7 |
|
E-c |
-25.341 |
5.4304 |
9 |
ARG282c, ASP67E, HIS141E, HIS161E, LYS172c, LYS287c, PRO175E, THR264c, VAL145E |
F-G |
-7.8546 |
-61.1481 |
-84.354 |
-153.3567 |
49 |
1 |
2 |
3515 |
3 |
12 |
24 |
|
F-a |
0.0 |
4.9563 |
0.0 |
4.9563 |
2 |
0 |
0 |
0 |
0 |
0 |
0 |
|
F-b |
-5.0657 |
-36.8246 |
11 |
ARG104F, ARG133b, ARG134b, ARG49F, ARG87b, GLU100F, GLU103F, GLU136b, GLU96F, LYS110F, LYS84b |
G-H |
-35.8817 |
-107.4911 |
-41.699 |
-185.0718 |
23 |
6 |
0 |
1470 |
7 |
21 |
7 |
|
G-J |
0.0 |
0.0 |
-0.01 |
-0.01 |
2 |
0 |
0 |
7 |
0 |
0 |
0 |
|
H-J |
0.0 |
0.0 |
-0.0041 |
-0.0041 |
2 |
0 |
0 |
7 |
0 |
0 |
2 |
|
K-a |
-3.7373 |
0.0 |
0.0 |
-3.7373 |
2 |
0 |
0 |
0 |
0 |
0 |
0 |
|
L-M |
-63.9963 |
-103.3525 |
-883.731 |
-1051.0799 |
300 |
50 |
36 |
38074 |
6 |
38 |
40 |
|
L-N |
-66.3903 |
-53.376 |
-705.264 |
-825.0303 |
249 |
28 |
20 |
29221 |
5 |
16 |
20 |
|
L-O |
-43.7904 |
-19.6607 |
-290.063 |
-353.5141 |
150 |
9 |
14 |
12343 |
2 |
19 |
20 |
|
L-P |
0.0 |
-4.2906 |
-0.0769 |
-4.3675 |
13 |
0 |
0 |
32 |
0 |
2 |
2 |
|
L-Q |
-57.6053 |
-21.2573 |
-347.539 |
-426.4016 |
97 |
16 |
10 |
13861 |
0 |
14 |
5 |
|
L-R |
-22.5024 |
2.3594 |
-81.7424 |
-101.8854 |
39 |
3 |
1 |
3336 |
0 |
11 |
3 |
|
L-S |
0.0 |
0.0 |
-25.5649 |
-25.5649 |
22 |
0 |
0 |
1050 |
0 |
3 |
0 |
|
L-T |
0.0 |
0.0 |
-15.4165 |
-15.4165 |
18 |
0 |
0 |
569 |
0 |
0 |
4 |
|
L-U |
0.0 |
0.0 |
-38.4481 |
-38.4481 |
35 |
1 |
3 |
2120 |
0 |
0 |
1 |
|
L-V |
0.0 |
3.6519 |
-65.1299 |
-61.478 |
45 |
2 |
0 |
2756 |
0 |
2 |
4 |
|
L-W |
-43.622 |
-28.7241 |
-452.462 |
-524.8081 |
141 |
13 |
12 |
17480 |
2 |
18 |
14 |
|
L-X |
-91.8139 |
-22.6708 |
-275.903 |
-390.3876 |
93 |
16 |
5 |
11752 |
3 |
9 |
6 |
|
M-N |
0.0 |
0.0 |
-1.3022 |
-1.3022 |
8 |
0 |
0 |
117 |
0 |
1 |
2 |
|
M-O |
-23.8097 |
-3.6447 |
-215.142 |
-242.5964 |
87 |
12 |
3 |
9138 |
3 |
20 |
18 |
|
M-P |
-16.0915 |
-10.9817 |
-63.7389 |
-90.8121 |
29 |
5 |
0 |
2699 |
0 |
10 |
8 |
|
M-Q |
0.0 |
0.0 |
-0.0025 |
-0.0025 |
2 |
0 |
0 |
3 |
0 |
0 |
2 |
|
M-S |
-64.9868 |
-19.5046 |
-280.025 |
-364.5164 |
83 |
17 |
3 |
11049 |
1 |
11 |
9 |
|
M-T |
-30.3107 |
-44.9007 |
-434.114 |
-509.3254 |
145 |
20 |
18 |
16745 |
3 |
29 |
39 |
|
M-V |
0.0 |
2.5469 |
-34.852 |
-32.3051 |
21 |
4 |
0 |
1553 |
0 |
4 |
3 |
|
N-O |
0.0 |
0.0 |
-0.0051 |
-0.0051 |
2 |
0 |
0 |
6 |
0 |
0 |
0 |
|
N-Q |
-23.4654 |
-22.3397 |
-251.24 |
-297.0451 |
87 |
7 |
7 |
10246 |
2 |
27 |
13 |
|
N-R |
-41.877 |
-61.1187 |
-408.344 |
-511.3398 |
157 |
21 |
8 |
16774 |
3 |
29 |
19 |
|
N-S |
-8.843 |
-5.0877 |
-54.5853 |
-68.516 |
30 |
4 |
0 |
2397 |
0 |
4 |
2 |
|
N-U |
-24.7744 |
-11.9362 |
-358.5 |
-395.2106 |
115 |
9 |
7 |
15876 |
4 |
19 |
21 |
|
N-W |
0.0 |
0.0 |
-1.1228 |
-1.1228 |
5 |
0 |
0 |
79 |
0 |
0 |
0 |
|
O-P |
-65.117 |
-45.9534 |
-411.615 |
-522.6855 |
109 |
32 |
12 |
15718 |
7 |
44 |
43 |
|
O-Q |
-11.9576 |
0.0 |
-34.9296 |
-46.8872 |
19 |
1 |
0 |
1154 |
0 |
6 |
1 |
|
O-T |
-11.6113 |
-22.6374 |
-102.583 |
-136.8317 |
44 |
3 |
3 |
3763 |
2 |
13 |
14 |
|
O-V |
-4.058 |
-13.1903 |
-424.387 |
-441.6353 |
109 |
13 |
9 |
16281 |
3 |
23 |
24 |
|
O-W |
0.0 |
0.0 |
-0.0586 |
-0.0586 |
6 |
0 |
0 |
22 |
0 |
0 |
1 |
|
O-X |
0.0 |
0.7304 |
-58.2226 |
-57.4922 |
47 |
4 |
4 |
2600 |
0 |
5 |
4 |
|
P-Q |
0.0 |
-37.5404 |
-44.8657 |
-82.4061 |
27 |
5 |
0 |
1738 |
1 |
10 |
7 |
|
P-T |
-58.7335 |
-89.9269 |
-170.163 |
-318.8234 |
53 |
11 |
1 |
6124 |
6 |
20 |
13 |
|
Q-R |
0.0 |
0.0 |
-11.1717 |
-11.1717 |
8 |
2 |
1 |
556 |
0 |
0 |
0 |
|
Q-U |
-4.2385 |
0.0 |
-28.6974 |
-32.9359 |
21 |
0 |
0 |
966 |
0 |
2 |
1 |
|
R-S |
0.0 |
-3.2472 |
-56.8167 |
-60.0639 |
18 |
1 |
0 |
1998 |
1 |
6 |
6 |
|
T-V |
0.0 |
0.0 |
-8.6033 |
-8.6033 |
8 |
0 |
0 |
305 |
0 |
1 |
2 |
|
U-W |
-10.7461 |
0.0 |
-27.6605 |
-38.4066 |
13 |
2 |
0 |
924 |
0 |
0 |
0 |
|
V-X |
0.0 |
0.0 |
-0.159 |
-0.159 |
4 |
0 |
0 |
42 |
0 |
0 |
0 |
|
W-X |
-24.0466 |
-6.7435 |
-165.59 |
-196.3801 |
70 |
13 |
9 |
6989 |
1 |
4 |
12 |
|
Y-d |
-8.0926 |
-38.1116 |
8 |
ALA83Y, GLU145d, GLU167d, LYS25Y, LYS27Y, LYS86Y, LYS87Y, TYR165d |
a-b |
-173.5045 |
-65.3261 |
37 |
ALA291b, ALA2a, ALA88a, ARG113b, ARG287b, ARG356a, ARG46b, ARG87b, ASN363a, ASP114b, ASP370a, CYS282a, GLN143b, GLU130a, GLU137a, GLU373b, GLU376b, GLU60a, GLU76a, GLU80a, GLU90b, HIS284b, HIS289a, HIS61a, HIS85a, LEU86a, LYS100a, LYS286b, LYS363b, LYS65a, SER289b, SER291a, SER375b, THR292b, THR372a, TYR4a, VAL92b |
a-c |
-12.9562 |
-13.1615 |
10 |
ARG436a, ASN435a, ASP20c, ASP214c, ASP332a, ASP433a, GLU429a, HIS221c, LYS217c, TYR223c |
a-d |
-2.1924 |
4.2244 |
6 |
ARG238d, ARG438a, ASN435a, ASP433a, HIS243a, LYS226d |
a-e |
-42.7356 |
-10.8349 |
20 |
ARG14e, ARG235a, ASP142a, ASP147a, ASP20e, ASP417a, ASP4e, GLU168a, GLU172a, GLU258a, GLU30e, GLU50a, HIS243a, HIS2e, LYS26e, LYS33e, LYS6e, SER171a, SER21e, VAL18e |
a-f |
0.0 |
2.6011 |
2 |
ARG244a, LYS63f |
a-g |
-141.4283 |
-55.5181 |
23 |
ARG11g, ARG235a, ARG244a, ARG9g, ASP246a, CYS242a, GLN240a, GLU22g, GLU245a, GLU429a, GLY238a, GLY5g, HIS12g, HIS243a, HIS328a, HIS6g, LEU7g, SER17g, SER19g, THR15g, THR8g, VAL10g, VAL13g |
a-i |
-52.9659 |
19.4892 |
14 |
CYS51i, GLN136a, GLN305a, GLU130a, GLU137a, GLU140a, GLU53i, GLY285a, GLY286a, HIS61a, LEU50i, LEU70i, SER69i, VAL42i |
a-j |
-3.5513 |
-11.3284 |
3 |
ARG15j, ASP417a, SER412a |
b-i |
-127.6234 |
-40.3213 |
23 |
ALA59i, ALA66i, ARG287b, ARG52i, ARG56i, ASN290b, ASN313b, ASP308b, GLN153b, GLN156b, GLN276b, GLN58i, GLU53i, GLY288b, GLY57i, GLY61i, LEU70i, LEU96b, PRO41i, SER100b, VAL309b, VAL68i, VAL98b |
c-d |
-43.2221 |
-95.772 |
21 |
ARG118d, ARG120d, ARG233d, ARG49d, ARG71c, ARG80c, ASP216c, ASP248c, ASP252c, ASP254c, ASP72c, GLU195d, GLU197d, HIS121d, HIS221c, HIS267c, HIS50d, LYS223d, LYS226d, LYS227c, TYR115d |
c-e |
-11.5395 |
1.3779 |
4 |
ALA66e, ASP67e, ASP72c, HIS68c |
c-f |
-20.7351 |
23.3257 |
15 |
ARG17f, ARG313c, ARG33f, ASP214c, ASP216c, ASP34f, ASP67f, ASP86f, GLU39f, HIS308c, HIS38f, LYS311c, LYS375c, LYS378c, LYS63f |
c-g |
-14.3059 |
-59.9725 |
7 |
ARG2g, ASP214c, GLU344c, GLU65g, HIS345c, LYS217c, LYS70g |
d-e |
-8.1258 |
-3.1719 |
13 |
ARG238d, ARG49d, ASP4e, ASP67e, ASP80e, ASP9e, GLU76d, HIS2e, HIS50d, LYS234d, LYS77e, LYS86d, SER72e |
d-f |
-10.0884 |
-19.0357 |
5 |
ARG233d, ARG71f, ASP67f, LYS231d, LYS234d |
d-g |
-78.0054 |
-7.3669 |
14 |
ALA236d, ALA25g, ARG224d, ARG238d, ARG24g, ASP2d, GLN23g, GLU4d, HIS12g, ILE14g, LYS234d, LYS70g, SER232d, TYR16g |
d-h |
-48.2959 |
-3.6624 |
15 |
ARG21h, ARG28d, ASP15h, ASP173d, ASP185d, ASP22d, CYS54h, GLN181d, HIS63h, HIS6d, LYS184d, LYS78h, SER180d, THR132d, THR139d |
d-j |
-64.0349 |
-93.9692 |
21 |
ARG203d, ASN47j, ASP173d, ASP199d, ASP22d, ASP36j, ASP40j, ASP59d, GLU44j, GLU60d, GLU60j, HIS14d, HIS23d, HIS54j, LEU18d, LYS207d, LYS50j, LYS58j, LYS62j, SER13d, SER20d |
e-g |
-35.6016 |
-70.0113 |
11 |
ARG14e, ARG15e, ARG24g, ARG32e, ASP12e, GLN23g, GLU17e, GLU22g, HIS28g, LYS32g, TYR13e |
e-j |
-28.4208 |
-17.1747 |
8 |
ARG15j, ARG8j, GLU30e, GLU32j, LYS33e, LYS52e, SER11j, TYR10j |
f-g |
-10.7197 |
-64.7005 |
10 |
ALA23f, ARG11g, ARG39g, ARG47g, ARG9g, ASP56f, ASP57f, GLN72f, GLU52f, HIS12g |
g-h |
-8.7771 |
-72.3262 |
7 |
ARG36h, ARG71g, ASP60h, GLU56h, GLU57h, LYS70g, LYS72g |
|