| ## |
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 |
|
B |
150 |
39 |
9127 |
◊ |
A |
x,y,z |
1_555 |
171 |
48 |
8378 |
1589.6 |
-15.7 |
0.236 |
24 |
10 |
0 |
0.853 |
2 |
|
C |
147 |
38 |
8232 |
◊ |
B |
x,y,z |
1_555 |
169 |
49 |
9127 |
1564.4 |
-14.7 |
0.231 |
25 |
11 |
0 |
0.853 |
3 |
|
C |
165 |
47 |
8232 |
◊ |
A |
x,y,z |
1_555 |
135 |
37 |
8378 |
1451.7 |
-14.8 |
0.190 |
21 |
8 |
0 |
0.853 |
| Average: |
1535.2 |
-15.1 |
0.219 |
23 |
10 |
0 |
0.853 |
| 2 |
4 |
|
A |
38 |
12 |
8378 |
◊ |
C |
x-1/2,-y-1/2,-z |
4_445 |
31 |
10 |
8232 |
311.8 |
1.3 |
0.689 |
4 |
5 |
0 |
0.000 |
| 3 |
5 |
|
B |
32 |
11 |
9127 |
◊ |
A |
x-1/2,-y+1/2,-z |
4_455 |
35 |
8 |
8378 |
289.6 |
-2.6 |
0.390 |
8 |
0 |
0 |
0.000 |
| 4 |
6 |
|
B |
25 |
7 |
9127 |
x |
B |
-x+1/2,-y,z-1/2 |
2_554 |
29 |
9 |
9127 |
254.4 |
-0.5 |
0.488 |
1 |
0 |
0 |
0.000 |
| 5 |
7 |
|
C |
25 |
6 |
8232 |
x |
C |
x-1/2,-y+1/2,-z |
4_455 |
29 |
9 |
8232 |
232.0 |
-3.2 |
0.291 |
2 |
0 |
0 |
0.000 |
| 6 |
8 |
|
[DUT]C:3170 |
19 |
1 |
562 |
◊ |
C |
x,y,z |
1_555 |
33 |
14 |
8232 |
222.3 |
2.5 |
0.781 |
4 |
0 |
0 |
0.000 |
| 7 |
9 |
|
[DUT]A:2170 |
19 |
1 |
558 |
◊ |
B |
x,y,z |
1_555 |
31 |
14 |
9127 |
220.1 |
1.2 |
0.772 |
4 |
0 |
0 |
0.014 |
10 |
|
[DUT]C:1170 |
19 |
1 |
562 |
◊ |
A |
x,y,z |
1_555 |
33 |
14 |
8378 |
220.0 |
1.0 |
0.743 |
4 |
0 |
0 |
0.014 |
| Average: |
220.0 |
1.1 |
0.757 |
4 |
0 |
0 |
0.014 |
| 8 |
11 |
|
[DUT]C:1170 |
19 |
1 |
562 |
f |
C |
x,y,z |
1_555 |
23 |
11 |
8232 |
172.2 |
-4.3 |
0.404 |
9 |
0 |
0 |
0.175 |
12 |
|
[DUT]A:2170 |
19 |
1 |
558 |
f |
A |
x,y,z |
1_555 |
21 |
10 |
8378 |
155.5 |
-4.6 |
0.410 |
8 |
0 |
0 |
0.175 |
| Average: |
163.8 |
-4.5 |
0.407 |
9 |
0 |
0 |
0.175 |
| 9 |
13 |
|
[DUT]C:3170 |
17 |
1 |
562 |
f |
B |
x,y,z |
1_555 |
18 |
6 |
9127 |
153.4 |
-0.9 |
0.666 |
5 |
0 |
0 |
0.092 |
| 10 |
14 |
|
A |
8 |
3 |
8378 |
◊ |
B |
-x+1/2,-y,z-1/2 |
2_554 |
10 |
2 |
9127 |
86.4 |
-1.5 |
0.321 |
1 |
0 |
0 |
0.000 |
| 11 |
15 |
|
[TRS]C:3171 |
7 |
1 |
256 |
◊ |
C |
x,y,z |
1_555 |
12 |
6 |
8232 |
76.4 |
1.5 |
0.775 |
3 |
0 |
0 |
0.000 |
| 12 |
16 |
|
[TRS]C:3171 |
6 |
1 |
256 |
◊ |
A |
x,y,z |
1_555 |
11 |
6 |
8378 |
75.4 |
1.9 |
0.140 |
0 |
0 |
0 |
0.000 |
| 13 |
17 |
|
[TRS]C:3171 |
6 |
1 |
256 |
f |
B |
x,y,z |
1_555 |
13 |
6 |
9127 |
73.8 |
1.4 |
0.778 |
4 |
0 |
0 |
0.012 |
| 14 |
18 |
|
[TRS]A:2171 |
7 |
1 |
251 |
◊ |
A |
x,y,z |
1_555 |
10 |
5 |
8378 |
72.4 |
1.5 |
0.065 |
2 |
0 |
0 |
0.000 |
| 15 |
19 |
|
[TRS]A:2171 |
6 |
1 |
251 |
f |
B |
x,y,z |
1_555 |
11 |
5 |
9127 |
70.7 |
1.2 |
0.056 |
2 |
0 |
0 |
0.000 |
| 16 |
20 |
|
[TRS]A:2171 |
6 |
1 |
251 |
◊ |
C |
x,y,z |
1_555 |
10 |
5 |
8232 |
70.0 |
1.5 |
0.153 |
2 |
0 |
0 |
0.000 |
| 17 |
21 |
|
[DUT]C:1170 |
7 |
1 |
562 |
◊ |
B |
x,y,z |
1_555 |
5 |
1 |
9127 |
63.5 |
1.5 |
0.770 |
3 |
0 |
0 |
0.000 |
| 18 |
22 |
|
[TRS]B:155 |
5 |
1 |
261 |
◊ |
C |
x,y,z |
1_555 |
10 |
4 |
8232 |
62.8 |
1.2 |
0.642 |
0 |
0 |
0 |
0.000 |
| 19 |
23 |
|
[TRS]B:155 |
4 |
1 |
261 |
◊ |
B |
x,y,z |
1_555 |
11 |
5 |
9127 |
62.0 |
1.2 |
0.000 |
0 |
0 |
0 |
0.000 |
| 20 |
24 |
|
C |
7 |
2 |
8232 |
◊ |
A |
x-1/2,-y+1/2,-z |
4_455 |
7 |
3 |
8378 |
60.5 |
-1.5 |
0.236 |
0 |
0 |
0 |
0.000 |
| 21 |
25 |
|
[TRS]B:155 |
5 |
1 |
261 |
f |
A |
x,y,z |
1_555 |
11 |
5 |
8378 |
56.0 |
0.9 |
0.659 |
0 |
0 |
0 |
0.000 |
| 22 |
26 |
|
[NO3]C:155 |
4 |
1 |
167 |
◊ |
A |
x,y,z |
1_555 |
8 |
2 |
8378 |
44.9 |
0.1 |
0.674 |
0 |
0 |
0 |
0.000 |
| 23 |
27 |
|
B |
8 |
3 |
9127 |
f |
[NO3]C:155 |
x-1/2,-y+1/2,-z |
4_455 |
4 |
1 |
167 |
43.3 |
0.3 |
0.401 |
1 |
0 |
0 |
0.005 |
| 24 |
28 |
|
C |
4 |
2 |
8232 |
◊ |
B |
x-1/2,-y+1/2,-z |
4_455 |
6 |
2 |
9127 |
42.2 |
-0.9 |
0.343 |
0 |
0 |
0 |
0.000 |
| 25 |
29 |
|
B |
5 |
2 |
9127 |
◊ |
C |
-x+1/2,-y,z-1/2 |
2_554 |
4 |
1 |
8232 |
42.1 |
-0.2 |
0.484 |
0 |
0 |
0 |
0.000 |
| 26 |
30 |
|
C |
7 |
3 |
8232 |
◊ |
[NO3]C:155 |
x-1/2,-y+1/2,-z |
4_455 |
4 |
1 |
167 |
39.1 |
-0.1 |
0.550 |
0 |
0 |
0 |
0.001 |
| 27 |
31 |
|
B |
5 |
5 |
9127 |
◊ |
C |
x-1/2,-y+1/2,-z |
4_455 |
8 |
7 |
8232 |
36.7 |
-0.4 |
0.391 |
0 |
0 |
0 |
0.000 |
| 28 |
32 |
|
[NO3]C:155 |
3 |
1 |
167 |
◊ |
C |
x,y,z |
1_555 |
4 |
2 |
8232 |
36.5 |
1.1 |
0.943 |
2 |
0 |
0 |
0.000 |
| 29 |
33 |
|
B |
2 |
1 |
9127 |
x |
B |
x-1/2,-y+1/2,-z |
4_455 |
4 |
2 |
9127 |
33.7 |
-1.0 |
0.206 |
0 |
0 |
0 |
0.000 |
| 30 |
34 |
|
A |
2 |
1 |
8378 |
◊ |
[DUT]C:1170 |
x-1/2,-y-1/2,-z |
4_445 |
3 |
1 |
562 |
13.8 |
-0.1 |
0.439 |
0 |
0 |
0 |
0.000 |
| 31 |
35 |
|
B |
2 |
2 |
9127 |
◊ |
[DUT]C:3170 |
-x+1/2,-y,z-1/2 |
2_554 |
1 |
1 |
562 |
12.7 |
-0.6 |
0.398 |
0 |
0 |
0 |
0.000 |
| 32 |
36 |
|
A |
3 |
2 |
8378 |
◊ |
C |
-x+1/2,-y,z-1/2 |
2_554 |
2 |
2 |
8232 |
5.4 |
0.2 |
0.704 |
0 |
0 |
0 |
0.000 |
| 33 |
37 |
|
B |
1 |
1 |
9127 |
◊ |
C |
x-1/2,-y-1/2,-z |
4_445 |
1 |
1 |
8232 |
4.6 |
0.3 |
0.835 |
0 |
0 |
0 |
0.000 |
| 34 |
38 |
|
B |
1 |
1 |
9127 |
◊ |
A |
x-1/2,-y-1/2,-z |
4_445 |
1 |
1 |
8378 |
4.0 |
0.2 |
0.777 |
0 |
0 |
0 |
0.000 |
|