| ## |
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 |
127 |
34 |
10726 |
◊ |
B |
x,y,z |
1_555 |
126 |
32 |
10806 |
1304.4 |
-19.5 |
0.088 |
12 |
2 |
0 |
0.649 |
2 |
|
D |
128 |
32 |
10695 |
◊ |
A |
x,y,z |
1_555 |
126 |
34 |
10720 |
1288.7 |
-21.1 |
0.045 |
12 |
2 |
0 |
0.649 |
| Average: |
1296.6 |
-20.3 |
0.067 |
12 |
2 |
0 |
0.649 |
| 2 |
3 |
|
D |
48 |
15 |
10695 |
◊ |
C |
x,y,z |
1_555 |
48 |
16 |
10726 |
434.4 |
-3.4 |
0.531 |
4 |
3 |
0 |
0.000 |
| 3 |
4 |
|
[GSH]C:1600 |
19 |
1 |
512 |
f |
C |
x,y,z |
1_555 |
40 |
13 |
10726 |
304.6 |
-4.3 |
0.664 |
8 |
0 |
0 |
0.377 |
5 |
|
[GSH]D:1800 |
19 |
1 |
511 |
f |
D |
x,y,z |
1_555 |
41 |
13 |
10695 |
299.4 |
-4.0 |
0.655 |
8 |
0 |
0 |
0.377 |
6 |
|
[GSH]B:1400 |
19 |
1 |
511 |
f |
B |
x,y,z |
1_555 |
41 |
14 |
10806 |
296.5 |
-4.1 |
0.660 |
8 |
0 |
0 |
0.377 |
7 |
|
[GSH]A:1200 |
19 |
1 |
512 |
f |
A |
x,y,z |
1_555 |
41 |
14 |
10720 |
295.1 |
-3.9 |
0.651 |
6 |
0 |
0 |
0.377 |
| Average: |
298.9 |
-4.1 |
0.657 |
8 |
0 |
0 |
0.377 |
| 4 |
8 |
|
B |
36 |
13 |
10806 |
x |
B |
-x+1,y-1/2,-z+1 |
2_646 |
30 |
9 |
10806 |
267.6 |
2.3 |
0.884 |
5 |
1 |
0 |
0.000 |
9 |
|
A |
33 |
11 |
10720 |
x |
A |
-x+1,y-1/2,-z |
2_645 |
29 |
9 |
10720 |
259.0 |
2.4 |
0.879 |
4 |
3 |
0 |
0.000 |
| Average: |
263.3 |
2.3 |
0.882 |
5 |
2 |
0 |
0.000 |
| 5 |
10 |
|
A |
30 |
11 |
10720 |
x |
A |
x,y-1,z |
1_545 |
21 |
6 |
10720 |
224.5 |
-0.9 |
0.400 |
1 |
2 |
0 |
0.000 |
11 |
|
B |
31 |
11 |
10806 |
x |
B |
x,y-1,z |
1_545 |
21 |
7 |
10806 |
221.6 |
-0.8 |
0.426 |
1 |
2 |
0 |
0.000 |
| Average: |
223.0 |
-0.8 |
0.413 |
1 |
2 |
0 |
0.000 |
| 6 |
12 |
|
D |
23 |
7 |
10695 |
◊ |
A |
x-1,y,z |
1_455 |
27 |
8 |
10720 |
222.3 |
-1.6 |
0.454 |
1 |
1 |
0 |
0.000 |
13 |
|
B |
8 |
5 |
10806 |
◊ |
C |
x-1,y,z |
1_455 |
12 |
6 |
10726 |
84.2 |
-1.8 |
0.248 |
0 |
0 |
0 |
0.000 |
| Average: |
153.3 |
-1.7 |
0.351 |
1 |
1 |
0 |
0.000 |
| 7 |
14 |
|
A |
15 |
4 |
10720 |
◊ |
D |
x,y-1,z |
1_545 |
15 |
5 |
10695 |
165.7 |
-3.9 |
0.114 |
1 |
0 |
0 |
0.000 |
15 |
|
B |
15 |
4 |
10806 |
◊ |
C |
x,y-1,z |
1_545 |
14 |
5 |
10726 |
164.6 |
-4.0 |
0.107 |
1 |
0 |
0 |
0.000 |
| Average: |
165.1 |
-4.0 |
0.111 |
1 |
0 |
0 |
0.000 |
| 8 |
16 |
|
B |
15 |
5 |
10806 |
x |
B |
x-1,y,z |
1_455 |
20 |
6 |
10806 |
165.5 |
-3.6 |
0.172 |
1 |
0 |
0 |
0.000 |
17 |
|
A |
19 |
5 |
10720 |
x |
A |
x-1,y,z |
1_455 |
15 |
6 |
10720 |
148.8 |
-2.3 |
0.274 |
0 |
0 |
0 |
0.000 |
| Average: |
157.1 |
-3.0 |
0.223 |
1 |
0 |
0 |
0.000 |
| 9 |
18 |
|
D |
21 |
5 |
10695 |
◊ |
C |
x,y-1,z |
1_545 |
17 |
7 |
10726 |
142.6 |
0.5 |
0.737 |
2 |
0 |
0 |
0.000 |
| 10 |
19 |
|
C |
8 |
2 |
10726 |
x |
C |
x-1,y,z |
1_455 |
16 |
4 |
10726 |
112.1 |
-0.7 |
0.383 |
1 |
0 |
0 |
0.000 |
20 |
|
D |
10 |
2 |
10695 |
x |
D |
x-1,y,z |
1_455 |
7 |
2 |
10695 |
71.4 |
-0.4 |
0.503 |
0 |
0 |
0 |
0.000 |
| Average: |
91.8 |
-0.5 |
0.443 |
1 |
0 |
0 |
0.000 |
| 11 |
21 |
|
D |
12 |
3 |
10695 |
x |
D |
x,y-1,z |
1_545 |
16 |
4 |
10695 |
109.7 |
-1.5 |
0.370 |
1 |
1 |
0 |
0.000 |
22 |
|
C |
12 |
3 |
10726 |
x |
C |
x,y-1,z |
1_545 |
14 |
4 |
10726 |
105.2 |
-2.0 |
0.278 |
0 |
0 |
0 |
0.000 |
| Average: |
107.4 |
-1.7 |
0.324 |
1 |
1 |
0 |
0.000 |
| 12 |
23 |
|
A |
14 |
6 |
10720 |
x |
A |
-x,y-1/2,-z |
2_545 |
11 |
5 |
10720 |
80.4 |
-1.7 |
0.337 |
0 |
0 |
0 |
0.000 |
| 13 |
24 |
|
[CA]D:1900 |
1 |
1 |
85 |
◊ |
D |
x,y,z |
1_555 |
6 |
4 |
10695 |
38.2 |
-6.6 |
0.000 |
0 |
0 |
0 |
0.218 |
25 |
|
[CA]C:1901 |
1 |
1 |
85 |
◊ |
C |
x,y,z |
1_555 |
7 |
4 |
10726 |
37.7 |
-6.4 |
0.000 |
0 |
0 |
0 |
0.218 |
26 |
|
[CA]D:1900 |
1 |
1 |
85 |
◊ |
A |
x,y,z |
1_555 |
7 |
4 |
10720 |
32.6 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.218 |
27 |
|
[CA]C:1901 |
1 |
1 |
85 |
◊ |
B |
x,y,z |
1_555 |
8 |
4 |
10806 |
31.9 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.218 |
| Average: |
35.1 |
-5.7 |
0.000 |
0 |
0 |
0 |
0.218 |
| 14 |
28 |
|
[GSH]A:1200 |
3 |
1 |
512 |
◊ |
D |
x,y,z |
1_555 |
4 |
2 |
10695 |
37.8 |
0.2 |
0.722 |
1 |
0 |
0 |
0.005 |
| 15 |
29 |
|
[GSH]B:1400 |
4 |
1 |
511 |
◊ |
C |
x,y,z |
1_555 |
4 |
2 |
10726 |
37.5 |
0.2 |
0.740 |
1 |
0 |
0 |
0.012 |
30 |
|
[GSH]C:1600 |
4 |
1 |
512 |
◊ |
B |
x,y,z |
1_555 |
4 |
2 |
10806 |
37.5 |
0.2 |
0.741 |
1 |
0 |
0 |
0.012 |
31 |
|
[GSH]D:1800 |
4 |
1 |
511 |
◊ |
A |
x,y,z |
1_555 |
4 |
2 |
10720 |
36.2 |
0.3 |
0.728 |
1 |
0 |
0 |
0.012 |
| Average: |
37.0 |
0.2 |
0.736 |
1 |
0 |
0 |
0.012 |
| 16 |
32 |
|
D |
4 |
2 |
10695 |
◊ |
C |
x-1,y-1,z |
1_445 |
1 |
1 |
10726 |
12.7 |
0.2 |
0.772 |
0 |
0 |
0 |
0.000 |
| 17 |
33 |
|
D |
1 |
1 |
10695 |
◊ |
C |
x-1,y,z |
1_455 |
2 |
2 |
10726 |
0.8 |
0.0 |
0.722 |
0 |
0 |
0 |
0.000 |
|