## |
Structure 1 |
× |
Structure 2 |
interface area, Å2 |
ΔiG kcal/mol |
ΔiG P-value |
NHB |
NSB |
NDS |
CSS |
Id |
NN |
«» |
Range |
iNat |
iNres |
Surface Å2 |
Range |
Symmetry op-n |
Sym.ID |
iNat |
iNres |
Surface Å2 |
1 |
1 |
|
C |
139 |
35 |
8097 |
◊ |
B |
x,y,z |
1_555 |
162 |
46 |
8658 |
1505.5 |
-15.4 |
0.202 |
25 |
9 |
0 |
0.615 |
2 |
|
B |
139 |
38 |
8658 |
◊ |
A |
x,y,z |
1_555 |
158 |
44 |
8345 |
1502.0 |
-14.7 |
0.260 |
25 |
10 |
0 |
0.615 |
3 |
|
C |
155 |
43 |
8097 |
◊ |
A |
x,y,z |
1_555 |
131 |
36 |
8345 |
1451.3 |
-14.8 |
0.178 |
21 |
8 |
0 |
0.615 |
Average: |
1486.3 |
-15.0 |
0.213 |
24 |
9 |
0 |
0.615 |
2 |
4 |
|
A |
36 |
12 |
8345 |
◊ |
C |
x-1/2,-y-1/2,-z |
4_445 |
25 |
9 |
8097 |
298.2 |
2.4 |
0.733 |
4 |
8 |
0 |
0.000 |
3 |
5 |
|
B |
31 |
10 |
8658 |
◊ |
A |
x-1/2,-y+1/2,-z |
4_455 |
35 |
8 |
8345 |
296.9 |
-1.8 |
0.475 |
8 |
0 |
0 |
0.000 |
4 |
6 |
|
B |
28 |
9 |
8658 |
x |
B |
-x+1/2,-y,z-1/2 |
2_554 |
31 |
10 |
8658 |
277.3 |
-1.6 |
0.465 |
2 |
0 |
0 |
0.000 |
5 |
7 |
|
[DUT]C:1170 |
19 |
1 |
558 |
◊ |
A |
x,y,z |
1_555 |
36 |
14 |
8345 |
224.9 |
1.1 |
0.745 |
4 |
0 |
0 |
0.014 |
8 |
|
[DUT]B:2170 |
18 |
1 |
557 |
◊ |
B |
x,y,z |
1_555 |
31 |
13 |
8658 |
216.9 |
1.1 |
0.762 |
5 |
0 |
0 |
0.014 |
Average: |
220.9 |
1.1 |
0.754 |
5 |
0 |
0 |
0.014 |
6 |
9 |
|
[DUT]C:3170 |
17 |
1 |
574 |
◊ |
C |
x,y,z |
1_555 |
33 |
14 |
8097 |
224.3 |
1.4 |
0.732 |
3 |
0 |
0 |
0.000 |
7 |
10 |
|
C |
25 |
6 |
8097 |
x |
C |
x-1/2,-y+1/2,-z |
4_455 |
24 |
8 |
8097 |
222.5 |
-3.2 |
0.266 |
2 |
0 |
0 |
0.000 |
8 |
11 |
|
[DUT]C:1170 |
18 |
1 |
558 |
f |
C |
x,y,z |
1_555 |
21 |
9 |
8097 |
168.0 |
-4.4 |
0.349 |
9 |
0 |
0 |
0.064 |
9 |
12 |
|
[DUT]C:3170 |
19 |
1 |
574 |
f |
B |
x,y,z |
1_555 |
20 |
9 |
8658 |
160.8 |
-3.7 |
0.376 |
12 |
0 |
0 |
0.129 |
13 |
|
[DUT]B:2170 |
18 |
1 |
557 |
f |
A |
x,y,z |
1_555 |
19 |
10 |
8345 |
150.0 |
-4.3 |
0.369 |
8 |
0 |
0 |
0.129 |
Average: |
155.4 |
-4.0 |
0.373 |
10 |
0 |
0 |
0.129 |
10 |
14 |
|
B |
10 |
3 |
8658 |
◊ |
C |
-x+1/2,-y,z-1/2 |
2_554 |
11 |
4 |
8097 |
101.7 |
0.8 |
0.767 |
1 |
0 |
0 |
0.000 |
11 |
15 |
|
[CR]C:1171 |
1 |
1 |
163 |
f |
C |
x,y,z |
1_555 |
21 |
8 |
8097 |
83.8 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.085 |
16 |
|
[CR]A:2171 |
1 |
1 |
163 |
f |
A |
x,y,z |
1_555 |
13 |
6 |
8345 |
74.9 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.085 |
17 |
|
[CR]B:3171 |
1 |
1 |
163 |
f |
B |
x,y,z |
1_555 |
18 |
7 |
8658 |
72.4 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.085 |
Average: |
77.1 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.085 |
12 |
18 |
|
A |
7 |
3 |
8345 |
◊ |
B |
-x+1/2,-y,z-1/2 |
2_554 |
7 |
2 |
8658 |
82.3 |
-1.6 |
0.226 |
0 |
0 |
0 |
0.000 |
13 |
19 |
|
[TRS]B:3172 |
6 |
1 |
254 |
f |
B |
x,y,z |
1_555 |
14 |
7 |
8658 |
78.9 |
1.4 |
0.790 |
3 |
0 |
0 |
0.000 |
14 |
20 |
|
[TRS]B:3172 |
6 |
1 |
254 |
◊ |
C |
x,y,z |
1_555 |
13 |
6 |
8097 |
76.9 |
1.4 |
0.782 |
1 |
0 |
0 |
0.000 |
15 |
21 |
|
[TRS]B:3172 |
6 |
1 |
254 |
◊ |
A |
x,y,z |
1_555 |
11 |
6 |
8345 |
75.0 |
1.7 |
0.048 |
1 |
0 |
0 |
0.000 |
16 |
22 |
|
B |
13 |
4 |
8658 |
◊ |
[DUT]C:3170 |
-x+1/2,-y,z-1/2 |
2_554 |
7 |
1 |
574 |
59.7 |
0.4 |
0.652 |
1 |
0 |
0 |
0.000 |
17 |
23 |
|
[DUT]B:2170 |
7 |
1 |
557 |
f |
[CR]A:2171 |
x,y,z |
1_555 |
1 |
1 |
163 |
58.8 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.088 |
24 |
|
[DUT]C:3170 |
6 |
1 |
574 |
f |
[CR]B:3171 |
x,y,z |
1_555 |
1 |
1 |
163 |
58.0 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.088 |
25 |
|
[DUT]C:1170 |
7 |
1 |
558 |
f |
[CR]C:1171 |
x,y,z |
1_555 |
1 |
1 |
163 |
52.0 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.088 |
Average: |
56.3 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.088 |
18 |
26 |
|
C |
7 |
3 |
8097 |
◊ |
A |
x-1/2,-y+1/2,-z |
4_455 |
7 |
3 |
8345 |
57.4 |
-1.3 |
0.276 |
0 |
0 |
0 |
0.000 |
19 |
27 |
|
C |
5 |
3 |
8097 |
◊ |
B |
x-1/2,-y+1/2,-z |
4_455 |
7 |
3 |
8658 |
50.4 |
-0.7 |
0.450 |
0 |
0 |
0 |
0.000 |
20 |
28 |
|
A |
5 |
4 |
8345 |
◊ |
C |
-x+1/2,-y,z-1/2 |
2_554 |
7 |
5 |
8097 |
49.8 |
0.0 |
0.579 |
0 |
0 |
0 |
0.000 |
21 |
29 |
|
[NO3]A:2172 |
4 |
1 |
158 |
◊ |
A |
x,y,z |
1_555 |
8 |
2 |
8345 |
45.5 |
0.1 |
0.379 |
0 |
0 |
0 |
0.000 |
22 |
30 |
|
B |
10 |
3 |
8658 |
f |
[NO3]A:2172 |
x-1/2,-y+1/2,-z |
4_455 |
4 |
1 |
158 |
44.1 |
0.3 |
0.456 |
3 |
0 |
0 |
0.008 |
23 |
31 |
|
B |
3 |
2 |
8658 |
x |
B |
x-1/2,-y+1/2,-z |
4_455 |
4 |
2 |
8658 |
43.4 |
-1.2 |
0.198 |
0 |
0 |
0 |
0.000 |
24 |
32 |
|
B |
4 |
3 |
8658 |
◊ |
C |
x-1/2,-y+1/2,-z |
4_455 |
5 |
4 |
8097 |
35.1 |
-0.4 |
0.333 |
0 |
0 |
0 |
0.000 |
25 |
33 |
|
C |
7 |
3 |
8097 |
◊ |
[NO3]A:2172 |
x-1/2,-y+1/2,-z |
4_455 |
4 |
1 |
158 |
34.9 |
-0.1 |
0.597 |
0 |
0 |
0 |
0.000 |
26 |
34 |
|
[NO3]A:2172 |
3 |
1 |
158 |
◊ |
C |
x,y,z |
1_555 |
5 |
3 |
8097 |
31.2 |
0.7 |
0.885 |
2 |
0 |
0 |
0.000 |
27 |
35 |
|
[CR]A:2171 |
1 |
1 |
163 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
8658 |
18.6 |
-0.7 |
0.000 |
0 |
0 |
0 |
0.014 |
36 |
|
[CR]C:1171 |
1 |
1 |
163 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
8345 |
17.3 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.014 |
37 |
|
[CR]B:3171 |
1 |
1 |
163 |
◊ |
C |
x,y,z |
1_555 |
3 |
1 |
8097 |
15.6 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.014 |
Average: |
17.2 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.014 |
28 |
38 |
|
A |
2 |
1 |
8345 |
◊ |
[DUT]C:1170 |
x-1/2,-y-1/2,-z |
4_445 |
2 |
1 |
558 |
6.7 |
-0.0 |
0.471 |
0 |
0 |
0 |
0.000 |
29 |
39 |
|
B |
3 |
2 |
8658 |
◊ |
[CR]B:3171 |
-x+1/2,-y,z-1/2 |
2_554 |
1 |
1 |
163 |
6.1 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.000 |
30 |
40 |
|
B |
1 |
1 |
8658 |
◊ |
C |
x-1/2,-y-1/2,-z |
4_445 |
1 |
1 |
8097 |
5.8 |
0.4 |
0.869 |
0 |
0 |
0 |
0.000 |
31 |
41 |
|
B |
1 |
1 |
8658 |
◊ |
A |
x-1,y,z |
1_455 |
1 |
1 |
8345 |
4.5 |
-0.0 |
0.524 |
0 |
0 |
0 |
0.000 |
32 |
42 |
|
B |
2 |
1 |
8658 |
◊ |
C |
x-1,y,z |
1_455 |
1 |
1 |
8097 |
4.3 |
0.1 |
0.654 |
0 |
0 |
0 |
0.000 |
|