| ## |
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 |
58 |
17 |
3999 |
◊ |
B |
-x+y,y,-z |
11_555 |
61 |
17 |
3886 |
568.9 |
-2.3 |
0.522 |
12 |
6 |
0 |
0.169 |
2 |
|
D |
57 |
16 |
3931 |
◊ |
A |
-x+y,y,-z |
11_555 |
60 |
16 |
3861 |
561.8 |
-2.5 |
0.491 |
13 |
7 |
0 |
0.169 |
3 |
|
E |
62 |
16 |
3890 |
◊ |
E |
-x+y,y,-z |
11_555 |
62 |
16 |
3890 |
539.9 |
-2.6 |
0.531 |
10 |
2 |
0 |
0.169 |
| Average: |
556.9 |
-2.5 |
0.515 |
12 |
5 |
0 |
0.169 |
| 2 |
4 |
|
C |
50 |
14 |
3999 |
◊ |
C |
-x+y,y,-z |
11_555 |
51 |
15 |
3999 |
420.6 |
-8.0 |
0.144 |
2 |
0 |
0 |
0.145 |
5 |
|
D |
35 |
12 |
3931 |
◊ |
B |
-x+y,y,-z |
11_555 |
36 |
13 |
3886 |
334.2 |
-7.7 |
0.088 |
2 |
0 |
0 |
0.145 |
6 |
|
E |
37 |
13 |
3890 |
◊ |
A |
-x+y,y,-z |
11_555 |
36 |
13 |
3861 |
295.2 |
-6.1 |
0.145 |
2 |
0 |
0 |
0.145 |
| Average: |
350.0 |
-7.3 |
0.126 |
2 |
0 |
0 |
0.145 |
| 3 |
7 |
|
D |
41 |
13 |
3931 |
◊ |
C |
x,y,z |
1_555 |
37 |
13 |
3999 |
352.5 |
-1.7 |
0.520 |
4 |
0 |
0 |
0.080 |
8 |
|
E |
38 |
12 |
3890 |
◊ |
D |
x,y,z |
1_555 |
35 |
13 |
3931 |
339.8 |
-1.8 |
0.459 |
4 |
0 |
0 |
0.080 |
9 |
|
E |
32 |
13 |
3890 |
◊ |
A |
x,y,z |
1_555 |
32 |
10 |
3861 |
293.6 |
-1.1 |
0.525 |
4 |
0 |
0 |
0.080 |
10 |
|
B |
29 |
8 |
3886 |
◊ |
A |
x,y,z |
1_555 |
34 |
13 |
3861 |
291.3 |
-2.0 |
0.423 |
3 |
0 |
0 |
0.080 |
11 |
|
C |
29 |
9 |
3999 |
◊ |
B |
x,y,z |
1_555 |
31 |
13 |
3886 |
279.1 |
-2.1 |
0.444 |
4 |
0 |
0 |
0.080 |
| Average: |
311.2 |
-1.7 |
0.474 |
4 |
0 |
0 |
0.080 |
| 4 |
12 |
|
B |
30 |
8 |
3886 |
◊ |
B |
x,x-y+1,-z-1/3 |
12_564 |
28 |
8 |
3886 |
316.4 |
1.1 |
0.690 |
6 |
0 |
0 |
0.000 |
| 5 |
13 |
|
C |
25 |
7 |
3999 |
◊ |
C |
-x+1,-y+1,z |
4_665 |
25 |
7 |
3999 |
226.1 |
-2.0 |
0.447 |
4 |
0 |
0 |
0.000 |
| 6 |
14 |
|
D |
19 |
6 |
3931 |
◊ |
D |
y,x,-z+1/3 |
7_555 |
20 |
6 |
3931 |
199.4 |
-1.5 |
0.463 |
2 |
2 |
0 |
0.000 |
| 7 |
15 |
|
D |
17 |
6 |
3931 |
◊ |
C |
-x+1,-y+1,z |
4_665 |
17 |
6 |
3999 |
127.7 |
-1.3 |
0.466 |
0 |
0 |
0 |
0.000 |
| 8 |
16 |
|
[SO4]C:103 |
5 |
1 |
188 |
f |
C |
x,y,z |
1_555 |
15 |
5 |
3999 |
102.7 |
-16.1 |
0.722 |
3 |
0 |
0 |
0.491 |
17 |
|
[SO4]A:101 |
5 |
1 |
187 |
f |
A |
x,y,z |
1_555 |
15 |
5 |
3861 |
101.7 |
-15.4 |
0.733 |
3 |
0 |
0 |
0.491 |
18 |
|
[SO4]B:102 |
5 |
1 |
188 |
f |
B |
x,y,z |
1_555 |
15 |
5 |
3886 |
101.6 |
-15.2 |
0.736 |
3 |
0 |
0 |
0.491 |
| Average: |
102.0 |
-15.6 |
0.731 |
3 |
0 |
0 |
0.491 |
| 9 |
19 |
|
[SO4]E:105 |
5 |
1 |
188 |
f |
E |
x,y,z |
1_555 |
16 |
5 |
3890 |
101.5 |
-15.7 |
0.707 |
3 |
0 |
0 |
0.286 |
| 10 |
20 |
|
D |
11 |
2 |
3931 |
◊ |
D |
-y+1,-x+1,-z+1/3 |
10_665 |
11 |
2 |
3931 |
95.6 |
0.1 |
0.641 |
0 |
0 |
0 |
0.000 |
| 11 |
21 |
|
[SO4]D:104 |
5 |
1 |
188 |
f |
D |
x,y,z |
1_555 |
15 |
4 |
3931 |
93.2 |
-14.5 |
0.761 |
3 |
0 |
0 |
0.287 |
| 12 |
22 |
|
[SO4]A:111 |
4 |
1 |
188 |
f |
A |
x,y,z |
1_555 |
12 |
5 |
3861 |
59.2 |
-8.5 |
0.723 |
3 |
0 |
0 |
0.178 |
| 13 |
23 |
|
[SO4]B:112 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
12 |
5 |
3886 |
58.4 |
-8.9 |
0.723 |
4 |
0 |
0 |
0.179 |
| 14 |
24 |
|
[SO4]C:113 |
4 |
1 |
187 |
f |
C |
x,y,z |
1_555 |
11 |
5 |
3999 |
54.5 |
-8.4 |
0.721 |
3 |
0 |
0 |
0.235 |
| 15 |
25 |
|
[SO4]C:113 |
4 |
1 |
187 |
◊ |
C |
-x+y,y,-z |
11_555 |
11 |
5 |
3999 |
54.4 |
-8.4 |
0.721 |
3 |
0 |
0 |
0.235 |
| 16 |
26 |
|
[SO4]A:111 |
4 |
1 |
188 |
◊ |
E |
-x+y,y,-z |
11_555 |
10 |
5 |
3890 |
54.2 |
-7.6 |
0.748 |
3 |
0 |
0 |
0.150 |
| 17 |
27 |
|
[SO4]B:112 |
5 |
1 |
186 |
◊ |
D |
-x+y,y,-z |
11_555 |
11 |
5 |
3931 |
49.3 |
-6.9 |
0.762 |
2 |
0 |
0 |
0.130 |
| 18 |
28 |
|
[SO4]B:112 |
4 |
1 |
186 |
◊ |
C |
-x+y,y,-z |
11_555 |
5 |
1 |
3999 |
36.8 |
-3.4 |
0.892 |
1 |
0 |
0 |
0.056 |
| 19 |
29 |
|
[SO4]A:111 |
4 |
1 |
188 |
◊ |
D |
-x+y,y,-z |
11_555 |
3 |
1 |
3931 |
31.3 |
-2.9 |
0.895 |
1 |
0 |
0 |
0.061 |
| 20 |
30 |
|
[SO4]C:113 |
4 |
1 |
187 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
3886 |
26.2 |
-2.0 |
0.929 |
1 |
0 |
0 |
0.011 |
| 21 |
31 |
|
[SO4]C:113 |
4 |
1 |
187 |
◊ |
B |
-x+y,y,-z |
11_555 |
3 |
1 |
3886 |
26.0 |
-2.0 |
0.929 |
1 |
0 |
0 |
0.035 |
| 22 |
32 |
|
[SO4]A:111 |
4 |
1 |
188 |
◊ |
E |
x,y,z |
1_555 |
3 |
1 |
3890 |
25.3 |
-2.0 |
0.929 |
0 |
0 |
0 |
0.009 |
| 23 |
33 |
|
[SO4]D:104 |
4 |
1 |
188 |
◊ |
D |
y,x,-z+1/3 |
7_555 |
3 |
1 |
3931 |
24.1 |
-2.5 |
0.878 |
0 |
0 |
0 |
0.000 |
| 24 |
34 |
|
[SO4]B:112 |
4 |
1 |
186 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
3861 |
19.4 |
-1.0 |
0.962 |
0 |
0 |
0 |
0.004 |
| 25 |
35 |
|
A |
1 |
1 |
3861 |
◊ |
A |
-x+1,-y+1,z |
4_665 |
1 |
1 |
3861 |
16.1 |
1.2 |
0.955 |
0 |
0 |
0 |
0.000 |
| 26 |
36 |
|
B |
1 |
1 |
3886 |
◊ |
A |
-x+1,-y+1,z |
4_665 |
1 |
1 |
3861 |
11.7 |
0.9 |
0.936 |
0 |
0 |
0 |
0.000 |
| 27 |
37 |
|
E |
1 |
1 |
3890 |
◊ |
E |
x-y,-y,-z |
8_555 |
1 |
1 |
3890 |
8.3 |
0.3 |
0.842 |
0 |
0 |
0 |
0.000 |
| 28 |
38 |
|
D |
1 |
1 |
3931 |
◊ |
B |
-x+1,-y+1,z |
4_665 |
2 |
1 |
3886 |
3.1 |
0.1 |
0.681 |
0 |
0 |
0 |
0.000 |
| 29 |
39 |
|
E |
1 |
1 |
3890 |
◊ |
B |
-x+1,-y+1,z |
4_665 |
2 |
1 |
3886 |
2.9 |
0.1 |
0.683 |
0 |
0 |
0 |
0.000 |
| 30 |
40 |
|
[SO4]D:104 |
1 |
1 |
188 |
◊ |
A |
-x+y,y,-z |
11_555 |
1 |
1 |
3861 |
0.4 |
-0.0 |
0.772 |
0 |
0 |
0 |
0.000 |
|