| ## |
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 |
64 |
21 |
4674 |
◊ |
A |
x,y-1,z |
1_545 |
57 |
14 |
4757 |
534.0 |
-5.8 |
0.300 |
4 |
0 |
0 |
0.132 |
2 |
|
B |
49 |
12 |
4671 |
◊ |
D |
x-1,y-1,z-1 |
1_444 |
58 |
19 |
4707 |
511.2 |
-5.8 |
0.311 |
6 |
0 |
0 |
0.132 |
| Average: |
522.6 |
-5.8 |
0.305 |
5 |
0 |
0 |
0.132 |
| 2 |
3 |
|
D |
56 |
17 |
4707 |
◊ |
C |
x,y,z |
1_555 |
45 |
12 |
4674 |
509.0 |
-2.1 |
0.607 |
5 |
2 |
0 |
0.000 |
| 3 |
4 |
|
A |
32 |
11 |
4757 |
◊ |
C |
x,y,z-1 |
1_554 |
35 |
12 |
4674 |
320.1 |
-0.3 |
0.670 |
6 |
2 |
0 |
0.056 |
5 |
|
B |
36 |
11 |
4671 |
◊ |
D |
x-1,y,z |
1_455 |
34 |
10 |
4707 |
310.2 |
-0.1 |
0.715 |
6 |
5 |
0 |
0.056 |
| Average: |
315.2 |
-0.2 |
0.693 |
6 |
4 |
0 |
0.056 |
| 4 |
6 |
|
A |
34 |
10 |
4757 |
◊ |
D |
x,y,z-1 |
1_554 |
34 |
10 |
4707 |
319.8 |
-5.0 |
0.242 |
1 |
0 |
0 |
0.092 |
7 |
|
B |
35 |
10 |
4671 |
◊ |
C |
x-1,y,z |
1_455 |
30 |
9 |
4674 |
312.8 |
-5.2 |
0.214 |
1 |
0 |
0 |
0.092 |
| Average: |
316.3 |
-5.1 |
0.228 |
1 |
0 |
0 |
0.092 |
| 5 |
8 |
|
C |
30 |
10 |
4674 |
◊ |
B |
x,y,z |
1_555 |
33 |
9 |
4671 |
298.7 |
-3.8 |
0.361 |
1 |
0 |
0 |
0.000 |
| 6 |
9 |
|
B |
31 |
10 |
4671 |
◊ |
C |
x-1,y,z-1 |
1_454 |
30 |
7 |
4674 |
281.6 |
-2.7 |
0.475 |
1 |
0 |
0 |
0.026 |
| 7 |
10 |
|
B |
32 |
5 |
4671 |
◊ |
A |
x,y-1,z |
1_545 |
31 |
9 |
4757 |
275.9 |
-0.9 |
0.633 |
2 |
1 |
0 |
0.000 |
| 8 |
11 |
|
D |
20 |
5 |
4707 |
x |
D |
x-1,y,z |
1_455 |
26 |
7 |
4707 |
199.6 |
-3.3 |
0.323 |
0 |
1 |
0 |
0.000 |
| 9 |
12 |
|
B |
20 |
9 |
4671 |
◊ |
A |
x,y,z |
1_555 |
21 |
9 |
4757 |
190.0 |
-0.7 |
0.599 |
1 |
0 |
0 |
0.000 |
| 10 |
13 |
|
A |
20 |
7 |
4757 |
x |
A |
x-1,y,z |
1_455 |
14 |
3 |
4757 |
158.2 |
2.6 |
0.873 |
2 |
0 |
0 |
0.000 |
| 11 |
14 |
|
A |
16 |
7 |
4757 |
◊ |
D |
x-1,y,z |
1_455 |
19 |
4 |
4707 |
153.4 |
-1.1 |
0.545 |
1 |
0 |
0 |
0.000 |
15 |
|
B |
18 |
9 |
4671 |
◊ |
C |
x,y,z-1 |
1_554 |
19 |
4 |
4674 |
150.7 |
-1.1 |
0.561 |
2 |
0 |
0 |
0.000 |
| Average: |
152.0 |
-1.1 |
0.553 |
2 |
0 |
0 |
0.000 |
| 12 |
16 |
|
[SO4]D:102 |
5 |
1 |
186 |
f |
D |
x,y,z |
1_555 |
11 |
4 |
4707 |
96.5 |
-13.3 |
0.865 |
4 |
0 |
0 |
0.126 |
| 13 |
17 |
|
[SO4]B:102 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
12 |
6 |
4671 |
92.7 |
-14.9 |
0.609 |
4 |
0 |
0 |
0.445 |
| 14 |
18 |
|
[SO4]C:101 |
5 |
1 |
186 |
f |
C |
x,y,z |
1_555 |
13 |
7 |
4674 |
92.5 |
-14.3 |
0.636 |
5 |
0 |
0 |
0.138 |
| 15 |
19 |
|
B |
14 |
4 |
4671 |
◊ |
A |
x-1,y,z |
1_455 |
16 |
5 |
4757 |
92.3 |
-0.2 |
0.605 |
0 |
0 |
0 |
0.004 |
| 16 |
20 |
|
[SO4]D:101 |
5 |
1 |
186 |
f |
D |
x,y,z |
1_555 |
14 |
8 |
4707 |
92.0 |
-14.1 |
0.834 |
5 |
0 |
0 |
0.136 |
| 17 |
21 |
|
[SO4]B:101 |
5 |
1 |
186 |
f |
A |
x-1,y,z |
1_455 |
11 |
5 |
4757 |
84.7 |
-11.1 |
0.551 |
0 |
0 |
0 |
0.296 |
| 18 |
22 |
|
B |
6 |
1 |
4671 |
◊ |
D |
x,y-1,z-1 |
1_544 |
12 |
6 |
4707 |
78.8 |
-0.6 |
0.536 |
0 |
0 |
0 |
0.000 |
| 19 |
23 |
|
[SO4]C:102 |
5 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
12 |
5 |
4674 |
78.1 |
-10.5 |
0.891 |
4 |
0 |
0 |
0.103 |
| 20 |
24 |
|
C |
7 |
3 |
4674 |
◊ |
A |
x,y,z |
1_555 |
10 |
4 |
4757 |
77.7 |
-0.5 |
0.546 |
0 |
0 |
0 |
0.000 |
| 21 |
25 |
|
D |
9 |
3 |
4707 |
◊ |
A |
x,y,z |
1_555 |
12 |
2 |
4757 |
68.7 |
-1.6 |
0.352 |
0 |
0 |
0 |
0.014 |
| 22 |
26 |
|
[SO4]B:101 |
4 |
1 |
186 |
◊ |
B |
x,y,z |
1_555 |
9 |
2 |
4671 |
68.0 |
-8.7 |
0.888 |
2 |
0 |
0 |
0.256 |
| 23 |
27 |
|
B |
11 |
4 |
4671 |
◊ |
A |
x-1,y-1,z-1 |
1_444 |
4 |
1 |
4757 |
50.0 |
0.3 |
0.718 |
1 |
1 |
0 |
0.000 |
| 24 |
28 |
|
B |
8 |
4 |
4671 |
◊ |
[SO4]D:102 |
x-1,y,z |
1_455 |
3 |
1 |
186 |
47.5 |
-6.1 |
0.720 |
0 |
0 |
0 |
0.051 |
| 25 |
29 |
|
B |
3 |
2 |
4671 |
◊ |
[SO4]C:102 |
x-1,y,z |
1_455 |
3 |
1 |
185 |
45.6 |
-5.5 |
0.860 |
0 |
0 |
0 |
0.046 |
| 26 |
30 |
|
C |
5 |
1 |
4674 |
◊ |
D |
x-1,y,z |
1_455 |
7 |
3 |
4707 |
35.5 |
0.4 |
0.693 |
0 |
0 |
0 |
0.000 |
| 27 |
31 |
|
D |
5 |
1 |
4707 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
4671 |
31.1 |
0.4 |
0.727 |
0 |
0 |
0 |
0.000 |
| 28 |
32 |
|
[SO4]D:101 |
4 |
1 |
186 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
4757 |
25.6 |
-3.2 |
0.468 |
0 |
0 |
0 |
0.027 |
| 29 |
33 |
|
[SO4]B:101 |
2 |
1 |
186 |
◊ |
D |
x-1,y,z |
1_455 |
2 |
1 |
4707 |
11.2 |
-1.4 |
0.785 |
0 |
0 |
0 |
0.011 |
| 30 |
34 |
|
B |
1 |
1 |
4671 |
x |
B |
x,y,z-1 |
1_554 |
1 |
1 |
4671 |
5.2 |
-0.2 |
0.358 |
0 |
0 |
0 |
0.000 |
| 31 |
35 |
|
[SO4]B:101 |
3 |
1 |
186 |
◊ |
[SO4]C:102 |
x-1,y,z |
1_455 |
1 |
1 |
185 |
3.4 |
-0.8 |
1.000 |
0 |
0 |
0 |
0.000 |
| 32 |
36 |
|
[SO4]B:102 |
1 |
1 |
186 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
4674 |
1.9 |
-0.2 |
0.821 |
0 |
0 |
0 |
0.000 |
| 33 |
37 |
|
B |
1 |
1 |
4671 |
◊ |
[SO4]C:101 |
x,y,z-1 |
1_554 |
1 |
1 |
186 |
1.4 |
-0.2 |
0.721 |
0 |
0 |
0 |
0.000 |
| 34 |
38 |
|
B |
1 |
1 |
4671 |
◊ |
A |
x,y-1,z-1 |
1_544 |
1 |
1 |
4757 |
0.7 |
-0.0 |
0.561 |
0 |
0 |
0 |
0.000 |
| 35 |
39 |
|
C |
1 |
1 |
4674 |
◊ |
D |
x,y-1,z-1 |
1_544 |
1 |
1 |
4707 |
0.7 |
-0.0 |
0.549 |
0 |
0 |
0 |
0.000 |
| 36 |
40 |
|
C |
1 |
1 |
4674 |
x |
C |
x,y,z-1 |
1_554 |
1 |
1 |
4674 |
0.2 |
-0.0 |
0.623 |
0 |
0 |
0 |
0.000 |
|