## |
Structure 1 |
× |
Structure 2 |
interface area, Å2 |
ΔiG kcal/mol |
ΔiG P-value |
NHB |
NSB |
NDS |
CSS |
NN |
«» |
Range |
iNat |
iNres |
Surface Å2 |
Range |
Symmetry op-n |
Sym.ID |
iNat |
iNres |
Surface Å2 |
1 |
|
H |
149 |
45 |
7108 |
◊ |
C |
x,y,z |
1_555 |
144 |
41 |
11431 |
1440.2 |
-9.2 |
0.436 |
30 |
2 |
0 |
1.000 |
2 |
|
D |
109 |
26 |
7591 |
◊ |
C |
x,y,z |
1_555 |
107 |
30 |
11431 |
1078.1 |
-11.4 |
0.164 |
12 |
6 |
0 |
1.000 |
3 |
|
H |
58 |
18 |
7108 |
◊ |
D |
-x+1/2,-y,z-1/2 |
2_554 |
58 |
17 |
7591 |
486.5 |
-3.6 |
0.516 |
5 |
0 |
0 |
0.000 |
4 |
|
D |
34 |
11 |
7591 |
x |
D |
x-1/2,-y-1/2,-z+1 |
4_446 |
41 |
14 |
7591 |
313.8 |
-1.0 |
0.615 |
6 |
0 |
0 |
0.000 |
5 |
|
C |
25 |
7 |
11431 |
x |
C |
-x,y-1/2,-z+1/2 |
3_545 |
28 |
8 |
11431 |
215.4 |
1.1 |
0.769 |
4 |
3 |
0 |
0.000 |
6 |
|
C |
21 |
9 |
11431 |
x |
C |
x-1/2,-y+1/2,-z+1 |
4_456 |
23 |
8 |
11431 |
214.5 |
1.1 |
0.520 |
2 |
3 |
0 |
0.000 |
7 |
|
D |
23 |
4 |
7591 |
◊ |
H |
x,y,z |
1_555 |
22 |
8 |
7108 |
208.8 |
-0.9 |
0.486 |
3 |
0 |
0 |
0.081 |
8 |
|
D |
24 |
7 |
7591 |
◊ |
H |
-x,y-1/2,-z+1/2 |
3_545 |
16 |
7 |
7108 |
176.5 |
-0.1 |
0.638 |
2 |
4 |
0 |
0.000 |
9 |
|
[EDO]C:2013 |
4 |
1 |
184 |
f |
C |
x,y,z |
1_555 |
25 |
13 |
11431 |
121.5 |
3.5 |
0.681 |
1 |
0 |
0 |
0.000 |
10 |
|
D |
11 |
4 |
7591 |
◊ |
C |
x,y-1,z |
1_545 |
12 |
4 |
11431 |
121.2 |
-0.8 |
0.489 |
1 |
0 |
0 |
0.000 |
11 |
|
[EDO]C:2015 |
4 |
1 |
186 |
f |
C |
x,y,z |
1_555 |
17 |
5 |
11431 |
117.8 |
2.7 |
0.405 |
3 |
0 |
0 |
0.000 |
12 |
|
[EDO]H:2012 |
4 |
1 |
185 |
◊ |
H |
x,y,z |
1_555 |
18 |
7 |
7108 |
101.7 |
3.1 |
0.487 |
3 |
0 |
0 |
0.000 |
13 |
|
[EDO]C:2011 |
4 |
1 |
184 |
f |
C |
x,y,z |
1_555 |
16 |
7 |
11431 |
100.3 |
2.8 |
0.468 |
6 |
0 |
0 |
0.000 |
14 |
|
[EDO]C:2016 |
4 |
1 |
186 |
f |
C |
x,y,z |
1_555 |
19 |
7 |
11431 |
96.4 |
3.6 |
0.680 |
4 |
0 |
0 |
0.000 |
15 |
|
H |
8 |
2 |
7108 |
◊ |
C |
-x,y-1/2,-z+1/2 |
3_545 |
9 |
5 |
11431 |
90.4 |
0.6 |
0.747 |
3 |
0 |
0 |
0.000 |
16 |
|
[EDO]C:2014 |
4 |
1 |
185 |
◊ |
C |
x,y,z |
1_555 |
15 |
8 |
11431 |
90.1 |
2.4 |
0.259 |
1 |
0 |
0 |
0.000 |
17 |
|
[EDO]C:2024 |
4 |
1 |
186 |
f |
C |
x,y,z |
1_555 |
13 |
4 |
11431 |
88.3 |
2.7 |
0.309 |
4 |
0 |
0 |
0.000 |
18 |
|
[EDO]D:2019 |
4 |
1 |
186 |
◊ |
D |
x,y,z |
1_555 |
15 |
7 |
7591 |
78.4 |
2.4 |
0.298 |
1 |
0 |
0 |
0.000 |
19 |
|
[EDO]H:2017 |
4 |
1 |
185 |
◊ |
H |
x,y,z |
1_555 |
16 |
6 |
7108 |
73.4 |
2.2 |
0.482 |
1 |
0 |
0 |
0.000 |
20 |
|
[EDO]C:2023 |
4 |
1 |
186 |
f |
C |
x,y,z |
1_555 |
9 |
4 |
11431 |
69.2 |
1.9 |
0.882 |
2 |
0 |
0 |
0.000 |
21 |
|
D |
9 |
4 |
7591 |
◊ |
H |
-x+1,y-1/2,-z+1/2 |
3_645 |
5 |
1 |
7108 |
62.4 |
-0.0 |
0.582 |
0 |
0 |
0 |
0.000 |
22 |
|
[EDO]H:2017 |
4 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
8 |
5 |
11431 |
60.3 |
1.1 |
0.743 |
3 |
0 |
0 |
0.035 |
23 |
|
D |
10 |
5 |
7591 |
f |
[EDO]C:2022 |
x,y-1,z |
1_545 |
4 |
1 |
185 |
56.6 |
1.1 |
0.774 |
1 |
0 |
0 |
0.000 |
24 |
|
[EDO]H:2021 |
3 |
1 |
185 |
f |
C |
-x,y-1/2,-z+1/2 |
3_545 |
6 |
4 |
11431 |
56.3 |
1.3 |
0.851 |
1 |
0 |
0 |
0.000 |
25 |
|
C |
9 |
4 |
11431 |
x |
C |
-x+1/2,-y,z-1/2 |
2_554 |
7 |
3 |
11431 |
55.1 |
-0.3 |
0.517 |
0 |
0 |
0 |
0.000 |
26 |
|
[EDO]H:2021 |
4 |
1 |
185 |
◊ |
H |
x,y,z |
1_555 |
8 |
4 |
7108 |
52.3 |
1.8 |
0.886 |
1 |
0 |
0 |
0.000 |
27 |
|
[EDO]C:2022 |
4 |
1 |
185 |
◊ |
C |
x,y,z |
1_555 |
7 |
3 |
11431 |
51.0 |
1.4 |
0.831 |
1 |
0 |
0 |
0.000 |
28 |
|
[EDO]H:2021 |
4 |
1 |
185 |
◊ |
C |
x,y,z |
1_555 |
8 |
3 |
11431 |
50.5 |
1.8 |
0.906 |
1 |
0 |
0 |
0.000 |
29 |
|
H |
5 |
2 |
7108 |
◊ |
C |
-x+1/2,-y,z-1/2 |
2_554 |
3 |
2 |
11431 |
35.8 |
0.4 |
0.771 |
0 |
0 |
0 |
0.000 |
30 |
|
H |
3 |
1 |
7108 |
◊ |
C |
-x+1,y-1/2,-z+1/2 |
3_645 |
3 |
2 |
11431 |
35.4 |
0.4 |
0.690 |
0 |
0 |
0 |
0.000 |
31 |
|
[EDO]C:2011 |
2 |
1 |
184 |
◊ |
H |
x,y,z |
1_555 |
5 |
2 |
7108 |
33.7 |
0.9 |
0.889 |
1 |
0 |
0 |
0.000 |
32 |
|
[EDO]C:2015 |
4 |
1 |
186 |
f |
[EDO]C:2013 |
x,y,z |
1_555 |
3 |
1 |
184 |
31.9 |
1.0 |
1.000 |
1 |
0 |
0 |
0.000 |
33 |
|
[EDO]C:2023 |
2 |
1 |
186 |
◊ |
[EDO]C:2022 |
x,y,z |
1_555 |
2 |
1 |
185 |
31.8 |
1.9 |
0.707 |
0 |
0 |
0 |
0.000 |
34 |
|
[EDO]H:2012 |
2 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
2 |
2 |
11431 |
26.7 |
0.3 |
0.519 |
0 |
0 |
0 |
0.000 |
35 |
|
[EDO]H:2017 |
4 |
1 |
185 |
f |
[EDO]C:2016 |
x,y,z |
1_555 |
3 |
1 |
186 |
24.5 |
0.8 |
1.000 |
2 |
0 |
0 |
0.017 |
36 |
|
[EDO]C:2014 |
1 |
1 |
185 |
f |
C |
x-1/2,-y+1/2,-z+1 |
4_456 |
1 |
1 |
11431 |
9.0 |
0.3 |
0.912 |
0 |
0 |
0 |
0.000 |
37 |
|
C |
1 |
1 |
11431 |
◊ |
H |
-x,y-1/2,-z+1/2 |
3_545 |
1 |
1 |
7108 |
7.4 |
-0.2 |
0.276 |
0 |
0 |
0 |
0.000 |
38 |
|
D |
1 |
1 |
7591 |
◊ |
C |
-x,y-1/2,-z+1/2 |
3_545 |
2 |
1 |
11431 |
6.7 |
0.2 |
0.776 |
0 |
0 |
0 |
0.000 |
39 |
|
D |
1 |
1 |
7591 |
f |
[EDO]D:2019 |
x-1/2,-y-1/2,-z+1 |
4_446 |
1 |
1 |
186 |
1.2 |
0.0 |
0.704 |
0 |
0 |
0 |
0.000 |
|