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 |
-53.4445 |
-24.3032 |
-329.119 |
-406.8667 |
119 |
12 |
12 |
14436 |
2 |
30 |
26 |
|
A-D |
-65.2993 |
-24.4859 |
-329.87 |
-419.6552 |
119 |
17 |
13 |
14304 |
2 |
29 |
26 |
|
A-G |
-17.1404 |
0.0 |
-42.9946 |
-60.135 |
29 |
3 |
5 |
1884 |
0 |
2 |
2 |
|
A-J |
-28.5669 |
-2.771 |
-242.646 |
-273.9839 |
103 |
11 |
7 |
9793 |
0 |
35 |
29 |
|
A-O |
-38.3077 |
3.6069 |
-75.0759 |
-109.7767 |
36 |
6 |
1 |
2674 |
1 |
29 |
19 |
|
B-C |
-53.0463 |
-25.1763 |
-331.077 |
-409.2996 |
119 |
19 |
11 |
14650 |
2 |
29 |
26 |
|
B-J |
-17.3641 |
0.0 |
-40.7919 |
-58.156 |
28 |
3 |
5 |
1857 |
0 |
2 |
2 |
|
B-K |
-34.6273 |
0.5184 |
-243.599 |
-277.7078 |
102 |
13 |
7 |
9916 |
0 |
35 |
29 |
|
C-E |
-56.9523 |
-23.9166 |
-334.977 |
-415.8458 |
116 |
12 |
12 |
14422 |
2 |
31 |
26 |
|
C-I |
-30.6869 |
-1.1263 |
-248.603 |
-280.4162 |
105 |
11 |
7 |
10009 |
0 |
36 |
29 |
|
C-K |
-16.1792 |
0.0 |
-40.0815 |
-56.2607 |
28 |
1 |
5 |
1835 |
0 |
2 |
2 |
|
D-E |
-71.9656 |
-25.4851 |
-347.628 |
-445.0787 |
117 |
17 |
11 |
14652 |
2 |
30 |
26 |
|
D-G |
-22.3966 |
0.3062 |
-246.834 |
-268.9244 |
103 |
14 |
7 |
9942 |
0 |
34 |
29 |
|
D-H |
-17.1346 |
0.0 |
-41.3879 |
-58.5225 |
28 |
2 |
5 |
1836 |
0 |
2 |
2 |
|
D-L |
-28.8529 |
2.412 |
-76.4165 |
-102.8574 |
35 |
3 |
1 |
2729 |
2 |
29 |
19 |
|
D-b |
-31.5971 |
12.1332 |
-78.2517 |
-97.7156 |
35 |
4 |
1 |
2663 |
0 |
29 |
19 |
|
E-H |
-37.3286 |
0.3603 |
-249.657 |
-286.6253 |
104 |
11 |
7 |
9871 |
0 |
36 |
29 |
|
E-I |
-16.9428 |
0.0 |
-43.1643 |
-60.1071 |
28 |
3 |
5 |
1884 |
0 |
2 |
2 |
|
E-c |
-29.1139 |
7.6225 |
-75.5981 |
-97.0895 |
38 |
5 |
1 |
2687 |
0 |
31 |
19 |
|
G-H |
-63.9357 |
-12.7379 |
-345.648 |
-422.3215 |
117 |
11 |
13 |
14544 |
2 |
31 |
26 |
|
G-J |
-67.9427 |
-23.2284 |
-332.171 |
-423.3421 |
117 |
18 |
12 |
14293 |
2 |
31 |
25 |
|
H-I |
-46.7649 |
-11.1207 |
-335.712 |
-393.5976 |
116 |
12 |
11 |
14328 |
0 |
29 |
26 |
|
I-K |
-65.4595 |
-23.9739 |
-333.238 |
-422.6714 |
118 |
19 |
12 |
14594 |
2 |
30 |
25 |
|
J-K |
-86.9313 |
-25.4321 |
-336.862 |
-449.2254 |
117 |
17 |
11 |
14433 |
2 |
29 |
26 |
|
L-M |
-58.7832 |
-25.8056 |
-329.232 |
-413.8208 |
115 |
16 |
12 |
14366 |
2 |
29 |
26 |
|
L-O |
-72.6573 |
-19.1705 |
-341.257 |
-433.0849 |
117 |
14 |
12 |
14623 |
2 |
30 |
27 |
|
L-S |
-19.0848 |
0.0 |
-39.1248 |
-58.2096 |
28 |
2 |
5 |
1846 |
0 |
2 |
2 |
|
L-V |
-28.2617 |
-1.894 |
-250.924 |
-281.0797 |
107 |
15 |
7 |
9982 |
0 |
35 |
29 |
|
L-b |
-31.1788 |
5.0556 |
-72.6471 |
-98.7703 |
36 |
5 |
1 |
2628 |
2 |
28 |
19 |
|
M-N |
-72.014 |
-20.0718 |
-343.437 |
-435.5227 |
118 |
14 |
12 |
14634 |
2 |
30 |
26 |
|
M-V |
-19.0122 |
0.0 |
-39.6471 |
-58.6593 |
28 |
3 |
5 |
1849 |
0 |
2 |
2 |
|
M-X |
-30.7879 |
0.4231 |
-230.499 |
-260.8639 |
103 |
15 |
7 |
9621 |
0 |
34 |
29 |
|
M-a |
-35.2126 |
10.4143 |
-72.5602 |
-97.3585 |
35 |
3 |
1 |
2576 |
0 |
30 |
19 |
|
N-P |
-69.51 |
-24.673 |
-327.899 |
-422.082 |
120 |
18 |
12 |
14560 |
2 |
30 |
26 |
|
N-U |
-28.764 |
0.5938 |
-244.026 |
-272.1962 |
104 |
14 |
7 |
9712 |
0 |
36 |
29 |
|
N-X |
-18.0365 |
0.0 |
-42.3731 |
-60.4096 |
29 |
2 |
5 |
1897 |
0 |
2 |
2 |
|
O-P |
-72.0247 |
-23.8585 |
-328.924 |
-424.8072 |
117 |
18 |
13 |
14517 |
2 |
30 |
26 |
|
O-S |
-28.498 |
0.512 |
-238.495 |
-266.481 |
102 |
10 |
7 |
9672 |
0 |
32 |
29 |
|
O-T |
-18.6244 |
0.0 |
-41.2298 |
-59.8542 |
30 |
2 |
5 |
1920 |
0 |
2 |
2 |
|
P-T |
-33.3976 |
4.4876 |
-250.221 |
-279.131 |
104 |
12 |
7 |
9991 |
0 |
36 |
29 |
|
P-U |
-18.6978 |
0.0 |
-39.8796 |
-58.5774 |
29 |
2 |
5 |
1882 |
0 |
2 |
2 |
|
S-T |
-57.6457 |
-14.6678 |
-330.614 |
-402.9275 |
116 |
11 |
11 |
14258 |
1 |
29 |
26 |
|
S-V |
-69.8366 |
-23.3803 |
-333.702 |
-426.9189 |
115 |
12 |
13 |
14480 |
2 |
30 |
26 |
|
T-U |
-52.3286 |
-21.1883 |
-325.005 |
-398.5219 |
118 |
17 |
11 |
14238 |
2 |
30 |
25 |
|
U-X |
-57.9059 |
-22.2885 |
-333.747 |
-413.9414 |
116 |
18 |
11 |
14388 |
2 |
30 |
26 |
|
V-X |
-63.5004 |
-23.9528 |
-328.72 |
-416.1733 |
116 |
12 |
12 |
14343 |
2 |
29 |
26 |
|
a-b |
-51.4748 |
-25.5577 |
-324.824 |
-401.8565 |
119 |
18 |
11 |
14475 |
2 |
29 |
26 |
|
a-d |
-69.1482 |
-23.8584 |
-292.548 |
-385.5546 |
106 |
15 |
10 |
13144 |
2 |
30 |
26 |
|
a-g |
-17.5171 |
0.0 |
4 |
GLY32a, GLY32g, VAL34a, VAL34g |
a-j |
-33.3736 |
0.2908 |
14 |
ASP221a, ASP221j, GLY187a, GLY187j, HIS180a, HIS180j, HIS222a, HIS222j, HIS251a, HIS251j, LYS230a, LYS233a, LYS233j, SER201j |
b-c |
-49.0488 |
-23.3062 |
-327.597 |
-399.9521 |
118 |
17 |
13 |
14473 |
2 |
30 |
26 |
|
b-j |
-19.2028 |
0.0 |
4 |
GLY32b, GLY32j, VAL34b, VAL34j |
b-k |
-28.6942 |
-2.274 |
16 |
ASP221b, ASP221k, GLU31b, GLY187b, GLY187k, HIS180b, HIS180k, HIS222b, HIS222k, HIS251b, HIS251k, LYS230b, LYS230k, LYS233b, LYS233k, SER201k |
c-e |
-58.6191 |
-19.2453 |
13 |
ALA57e, ARG10c, ARG7c, ASN46e, ASP94e, GLU73c, GLU74c, ILE43e, LEU8c, LYS21e, LYS96c, SER12c, TYR45e |
c-i |
-32.3691 |
0.3543 |
14 |
ASP221c, ASP221i, GLY187c, GLY187i, HIS180c, HIS180i, HIS222c, HIS222i, HIS251c, HIS251i, LYS230c, LYS233c, LYS233i, SER201i |
c-k |
-19.3203 |
0.0 |
4 |
GLY32c, GLY32k, VAL34c, VAL34k |
d-e |
-79.0549 |
-26.2472 |
14 |
ALA57d, ARG10e, ARG7e, ASN46d, ASP94d, GLU73e, GLU74e, GLY55d, ILE43d, LEU8e, LYS21d, LYS96e, SER12e, TYR45d |
d-g |
-39.4066 |
4.6549 |
18 |
ASP221d, ASP221g, ASP223g, GLU31d, GLY187d, GLY187g, HIS180d, HIS180g, HIS222d, HIS222g, HIS251d, HIS251g, LYS230d, LYS230g, LYS233d, LYS233g, MET199d, SER201g |
d-h |
-16.9226 |
0.0 |
4 |
GLY32d, GLY32h, VAL34d, VAL34h |
e-h |
-28.7135 |
0.4907 |
14 |
ASP221e, ASP221h, GLY187e, GLY187h, HIS180e, HIS180h, HIS222e, HIS222h, HIS251e, HIS251h, LYS230e, LYS233e, LYS233h, SER201h |
e-i |
-17.1915 |
0.0 |
4 |
GLY32e, GLY32i, VAL34e, VAL34i |
g-h |
-52.7943 |
-13.7659 |
17 |
ALA57h, ARG10g, ARG35h, ARG7g, ASN46h, ASP94h, GLU73g, GLU74g, ILE43h, LEU8g, LYS140g, LYS21h, LYS96g, SER12g, TYR226g, TYR26h, TYR45h |
g-j |
-72.5142 |
-24.0242 |
15 |
ALA57g, ARG10j, ARG7j, ASN46g, ASP94g, GLU73j, GLU74j, ILE43g, LEU8j, LYS21g, LYS96j, SER12j, SER189j, TYR26g, TYR45g |
h-i |
-62.3936 |
-22.7526 |
15 |
ALA57i, ARG10h, ARG7h, ASN46i, ASP94i, GLU73h, GLU74h, ILE43i, LEU8h, LYS21i, LYS96h, SER12h, TYR226h, TYR26i, TYR45i |
i-k |
-60.9878 |
-17.7787 |
16 |
ALA57k, ARG10i, ARG7i, ASN46k, ASP94k, GLU73i, GLU74i, ILE43k, LEU8i, LYS21k, LYS96i, SER12i, SER189i, TYR226i, TYR26k, TYR45k |
j-k |
-87.9887 |
-20.8667 |
15 |
ALA57j, ARG10k, ARG7k, ASN46j, ASP94j, GLU73k, GLU74k, ILE43j, LEU8k, LYS21j, LYS96k, SER12k, SER189k, TYR26j, TYR45j |
|