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 |
0.0 |
0.0 |
-0.015 |
-0.015 |
2 |
0 |
0 |
9 |
0 |
1 |
0 |
|
A-C |
0.0 |
0.0 |
-0.0003 |
-0.0003 |
2 |
0 |
0 |
1 |
0 |
1 |
0 |
|
A-D |
-111.8883 |
-93.8253 |
-543.335 |
-749.0486 |
248 |
28 |
10 |
23363 |
6 |
59 |
75 |
|
A-E |
-101.9791 |
-20.7699 |
-492.98 |
-615.7291 |
202 |
27 |
9 |
20516 |
5 |
69 |
67 |
|
A-G |
0.0 |
3.0648 |
-81.8135 |
-78.7487 |
73 |
2 |
1 |
4289 |
0 |
21 |
11 |
|
A-I |
0.0 |
0.0 |
-0.0433 |
-0.0433 |
5 |
0 |
0 |
19 |
0 |
1 |
1 |
|
B-E |
-60.7515 |
-51.257 |
-463.484 |
-575.4925 |
198 |
26 |
10 |
18840 |
3 |
43 |
56 |
|
B-F |
-99.0653 |
-55.3836 |
-578.048 |
-732.4968 |
243 |
34 |
12 |
23899 |
10 |
74 |
70 |
|
B-G |
0.0 |
-37.0945 |
-24.1965 |
-61.291 |
51 |
5 |
0 |
2024 |
2 |
12 |
6 |
|
B-N |
-6.9583 |
1.4214 |
-23.7747 |
-29.3115 |
25 |
2 |
0 |
985 |
0 |
14 |
11 |
|
C-D |
-87.5352 |
18.1991 |
-502.577 |
-571.9132 |
246 |
18 |
12 |
21558 |
4 |
74 |
68 |
|
C-F |
-80.1649 |
-57.0909 |
-531.319 |
-668.5748 |
240 |
22 |
11 |
22290 |
6 |
59 |
76 |
|
C-G |
-18.8672 |
20.3776 |
-53.936 |
-52.4256 |
51 |
1 |
0 |
2472 |
1 |
14 |
13 |
|
C-I |
0.0 |
0.0 |
-0.403 |
-0.403 |
9 |
0 |
0 |
81 |
0 |
0 |
1 |
|
D-F |
0.0 |
0.0 |
-1.2468 |
-1.2468 |
6 |
0 |
0 |
181 |
0 |
0 |
0 |
|
D-G |
-27.6064 |
-36.1173 |
-90.2487 |
-153.9724 |
74 |
5 |
4 |
4815 |
3 |
24 |
18 |
|
D-I |
0.0 |
7.1122 |
-0.0591 |
7.0531 |
5 |
0 |
0 |
14 |
0 |
1 |
3 |
|
E-G |
-10.5333 |
-27.0327 |
-76.6415 |
-114.2075 |
54 |
5 |
2 |
3401 |
1 |
11 |
3 |
|
E-K |
0.0 |
-8.2153 |
-2.8019 |
-11.0172 |
17 |
0 |
0 |
349 |
0 |
16 |
19 |
|
E-N |
0.0 |
-0.7214 |
-12.9104 |
-13.6318 |
42 |
0 |
0 |
1182 |
0 |
28 |
34 |
|
E-T |
0.0 |
-4.5565 |
2 |
GLU504T, LYS40E |
F-G |
-2.6336 |
-35.7808 |
-87.5688 |
-125.9832 |
82 |
5 |
4 |
4861 |
0 |
27 |
16 |
|
G-H |
-13.0362 |
-6.4728 |
-256.341 |
-275.85 |
96 |
12 |
8 |
10292 |
0 |
24 |
19 |
|
G-I |
-52.5542 |
7.9668 |
-242.028 |
-286.6154 |
93 |
17 |
16 |
10375 |
1 |
13 |
14 |
|
H-I |
0.0 |
-8.6641 |
-92.0825 |
-100.7466 |
62 |
5 |
11 |
4637 |
3 |
8 |
6 |
|
J-K |
0.0 |
0.0 |
-0.0033 |
-0.0033 |
3 |
0 |
0 |
6 |
0 |
0 |
0 |
|
J-L |
0.0 |
0.0 |
-0.0008 |
-0.0008 |
2 |
0 |
0 |
2 |
0 |
1 |
0 |
|
J-M |
-82.9958 |
-85.4038 |
-533.146 |
-701.5455 |
242 |
20 |
11 |
22220 |
7 |
60 |
77 |
|
J-N |
-88.2865 |
-4.5732 |
-489.035 |
-581.8947 |
225 |
37 |
9 |
21517 |
6 |
72 |
73 |
|
J-P |
0.0 |
-21.4346 |
-67.7144 |
-89.149 |
68 |
3 |
2 |
3807 |
2 |
23 |
12 |
|
K-N |
-74.5498 |
-41.0567 |
-436.387 |
-551.9936 |
189 |
32 |
10 |
18063 |
2 |
42 |
50 |
|
K-O |
-50.862 |
-44.7445 |
-583.372 |
-678.9785 |
249 |
33 |
14 |
24539 |
9 |
80 |
72 |
|
K-P |
-7.5999 |
-34.5309 |
-39.802 |
-81.9328 |
58 |
1 |
0 |
2409 |
2 |
14 |
11 |
|
K-X |
-26.6288 |
9.4999 |
10 |
ASN28K, ASP23K, ASP436X, ASP465X, GLU29K, GLU464X, LYS430X, LYS435X, LYS442X, THR30K |
L-M |
-100.131 |
-19.0777 |
-665.537 |
-784.7458 |
284 |
31 |
15 |
27981 |
6 |
85 |
79 |
|
L-O |
-97.3578 |
-102.5853 |
-539.435 |
-739.3781 |
240 |
32 |
12 |
22605 |
7 |
58 |
69 |
|
L-P |
-7.51 |
23.5173 |
-26.9414 |
-10.9342 |
45 |
0 |
0 |
1712 |
1 |
11 |
6 |
|
M-O |
0.0 |
0.0 |
-13.9705 |
-13.9705 |
10 |
1 |
2 |
785 |
0 |
0 |
2 |
|
M-P |
0.0 |
-1.268 |
-88.3288 |
-89.5968 |
76 |
1 |
5 |
4460 |
0 |
29 |
24 |
|
M-R |
0.0 |
0.0 |
-0.0246 |
-0.0246 |
2 |
0 |
0 |
8 |
0 |
1 |
3 |
|
N-P |
-8.1127 |
-38.307 |
-87.6532 |
-134.0729 |
62 |
11 |
3 |
4311 |
1 |
17 |
5 |
|
O-P |
0.0 |
-8.8568 |
-75.4548 |
-84.3116 |
78 |
0 |
4 |
4055 |
0 |
25 |
15 |
|
O-X |
-14.2055 |
0.7067 |
4 |
ALA177X, LYS176X, LYS40O, LYS75O |
P-Q |
-17.1311 |
0.0 |
-164.2 |
-181.3311 |
80 |
4 |
6 |
6624 |
0 |
17 |
17 |
|
P-R |
-22.8222 |
0.0 |
-109.739 |
-132.5612 |
68 |
8 |
14 |
5496 |
0 |
5 |
6 |
|
Q-R |
0.0 |
0.0 |
-34.9907 |
-34.9907 |
44 |
0 |
7 |
1940 |
0 |
4 |
3 |
|
S-V |
-76.3908 |
-88.0092 |
35 |
ARG173S, ARG212S, ARG274V, ARG356V, ARG364S, ARG82S, ASN35V, ASP120V, ASP172S, ASP330V, ASP352V, ASP38S, ASP81S, GLN174S, GLN217S, GLN282S, GLN379V, GLU126V, GLU240S, GLU294V, GLU357S, GLU56V, GLU86S, HIS118V, HIS328V, HIS53V, LYS152V, LYS211S, LYS354V, LYS382V, LYS85S, SER372V, THR287V, THR332V, VAL36S |
S-W |
-77.5664 |
-2.6098 |
34 |
ALA51S, ARG130S, ARG141S, ARG142S, ARG166S, ARG190W, ARG192W, ARG199W, ARG375S, ARG72W, ASP196W, ASP22W, ASP299S, ASP349S, ASP65W, GLU105W, GLU193W, GLU224W, GLU267W, GLU309S, GLU52S, GLU68W, GLU69S, GLY45S, GLY69W, ILE347S, LEU46S, LEU68S, LYS134S, LYS317S, MET222W, SER305S, SER346S, VAL16W |
S-Y |
-3.1658 |
12.6308 |
6 |
ARG259Y, ARG293S, ASP335S, GLU266Y, GLU294S, GLU7Y |
T-W |
-82.4464 |
-44.5353 |
28 |
ALA238T, ARG173T, ARG212T, ARG274W, ARG288T, ARG82T, ASN57W, ASP330W, ASP38T, ASP81T, GLN282T, GLU126W, GLU240T, GLU294W, GLU29W, GLU56W, GLU86T, GLY273W, HIS118W, HIS328W, HIS53W, LEU30W, LYS152W, LYS211T, LYS85T, PHE326W, THR287W, VAL36T |
T-X |
-86.0289 |
-0.2446 |
40 |
ALA51T, ARG130T, ARG141T, ARG142T, ARG166T, ARG190X, ARG192X, ARG199X, ARG293T, ARG375T, ARG72X, ASN195X, ASN47T, ASP196X, ASP22X, ASP299T, ASP315X, ASP316X, ASP319X, ASP335T, ASP349T, ASP65X, GLU193X, GLU224X, GLU267X, GLU309T, GLU52T, GLU68X, GLU69T, GLY69X, ILE138T, ILE345T, ILE347T, LEU68T, LEU70X, LYS134T, SER337T, THR191X, THR348T, VAL16X |
T-Y |
-7.6052 |
-27.5047 |
4 |
ARG257Y, ASP335T, GLN332T, GLU294T |
U-V |
-24.0525 |
-4.2471 |
31 |
ARG130U, ARG141U, ARG142U, ARG166U, ARG190V, ARG192V, ARG199V, ARG375U, ARG400U, ARG72V, ASP196V, ASP299U, ASP349U, ASP394V, ASP411U, ASP65V, GLU193V, GLU224V, GLU267V, GLU309U, GLU341V, GLU52U, GLU68V, GLU69U, GLY45U, ILE347U, LYS134U, LYS393U, MET222V, SER305U, THR191V |
U-X |
-78.0567 |
-98.7614 |
39 |
ARG173U, ARG212U, ARG274X, ARG288U, ARG364U, ARG82U, ASP120X, ASP288X, ASP330X, ASP352X, ASP38U, ASP81U, GLN174U, GLN220U, GLN282U, GLU126X, GLU240U, GLU294X, GLU29X, GLU376X, GLU56X, GLU86U, GLU88U, GLY273X, HIS118X, HIS328X, HIS53X, LEU351X, LYS152X, LYS211U, LYS354X, LYS361U, LYS85U, SER372X, THR129X, THR287X, TYR360U, TYR368X, VAL36U |
U-Y |
0.0 |
14.3225 |
12 |
ARG293U, ASP112Y, ASP269Y, ASP335U, ASP411U, ASP80Y, GLU266Y, GLU294U, GLU5Y, LYS113Y, LYS4Y, LYS81Y |
V-Y |
-20.4415 |
-49.8115 |
12 |
ASP315V, ASP316V, ASP386V, ASP394V, GLU266Y, GLU395V, LYS11Y, LYS135Y, LYS18Y, LYS4Y, LYS81Y, PHE279V |
W-Y |
-9.1467 |
-0.4998 |
8 |
ARG257Y, ARG259Y, ASP238Y, ASP316W, ASP319W, ASP386W, PHE279W, THR264Y |
X-Y |
-17.4367 |
-48.7936 |
10 |
ALA389X, ARG120Y, ARG9Y, ASN243Y, ASP386X, ASP394X, GLU395X, GLU398X, HIS88Y, LEU83Y |
Y-1 |
-26.8233 |
0.0 |
4 |
ASN131Y, ASP148Y, PHE431, SER91 |
|