## |
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 |
29 |
8 |
5794 |
x |
B |
-x+2,y-1/2,-z+2 |
2_747 |
31 |
8 |
5794 |
272.8 |
-1.3 |
0.316 |
4 |
4 |
0 |
0.000 |
2 |
|
C |
30 |
8 |
5728 |
x |
C |
-x+1,y-1/2,-z+1 |
2_646 |
30 |
8 |
5728 |
271.9 |
-0.1 |
0.439 |
4 |
3 |
0 |
0.000 |
3 |
|
A |
31 |
8 |
5789 |
x |
A |
-x+2,y-1/2,-z+1 |
2_746 |
30 |
9 |
5789 |
270.2 |
-1.4 |
0.309 |
4 |
4 |
0 |
0.000 |
4 |
|
D |
28 |
7 |
5706 |
x |
D |
-x+1,y-1/2,-z+2 |
2_647 |
31 |
9 |
5706 |
256.8 |
-0.0 |
0.459 |
4 |
3 |
0 |
0.000 |
Average: |
267.9 |
-0.7 |
0.381 |
4 |
4 |
0 |
0.000 |
2 |
5 |
|
C |
32 |
9 |
5728 |
◊ |
B |
x,y,z |
1_555 |
31 |
8 |
5794 |
270.8 |
-0.4 |
0.408 |
5 |
3 |
0 |
0.041 |
6 |
|
A |
28 |
7 |
5789 |
◊ |
D |
x,y-1,z |
1_545 |
31 |
9 |
5706 |
255.8 |
-0.0 |
0.443 |
5 |
2 |
0 |
0.041 |
Average: |
263.3 |
-0.2 |
0.426 |
5 |
3 |
0 |
0.041 |
3 |
7 |
|
B |
32 |
9 |
5794 |
◊ |
A |
x,y,z |
1_555 |
32 |
10 |
5789 |
270.0 |
2.1 |
0.697 |
3 |
0 |
0 |
0.000 |
4 |
8 |
|
A |
23 |
9 |
5789 |
◊ |
C |
-x+1,y-1/2,-z+1 |
2_646 |
30 |
7 |
5728 |
210.7 |
-2.4 |
0.188 |
1 |
0 |
0 |
0.000 |
9 |
|
B |
32 |
10 |
5794 |
◊ |
D |
-x+2,y-1/2,-z+2 |
2_747 |
23 |
9 |
5706 |
210.4 |
-2.2 |
0.207 |
1 |
0 |
0 |
0.000 |
10 |
|
A |
31 |
9 |
5789 |
◊ |
C |
-x+2,y-1/2,-z+1 |
2_746 |
23 |
9 |
5728 |
206.5 |
-2.3 |
0.195 |
1 |
0 |
0 |
0.000 |
11 |
|
B |
22 |
10 |
5794 |
◊ |
D |
-x+1,y-1/2,-z+2 |
2_647 |
32 |
10 |
5706 |
202.2 |
-2.2 |
0.204 |
1 |
0 |
0 |
0.000 |
Average: |
207.4 |
-2.3 |
0.198 |
1 |
0 |
0 |
0.000 |
5 |
12 |
|
C |
21 |
5 |
5728 |
◊ |
D |
x,y-1,z |
1_545 |
18 |
5 |
5706 |
162.1 |
2.1 |
0.758 |
1 |
0 |
0 |
0.000 |
6 |
13 |
|
[TRS]B:141 |
7 |
1 |
256 |
f |
B |
x,y,z |
1_555 |
18 |
9 |
5794 |
141.3 |
2.8 |
0.113 |
9 |
0 |
0 |
0.018 |
14 |
|
[TRS]D:141 |
7 |
1 |
255 |
f |
D |
x,y,z |
1_555 |
18 |
9 |
5706 |
140.0 |
2.8 |
0.160 |
9 |
0 |
0 |
0.018 |
Average: |
140.6 |
2.8 |
0.136 |
9 |
0 |
0 |
0.018 |
7 |
15 |
|
[TRS]A:141 |
7 |
1 |
256 |
f |
A |
x,y,z |
1_555 |
18 |
9 |
5789 |
140.9 |
2.8 |
0.102 |
9 |
0 |
0 |
0.009 |
8 |
16 |
|
[TRS]C:141 |
7 |
1 |
256 |
f |
C |
x,y,z |
1_555 |
18 |
9 |
5728 |
140.3 |
2.8 |
0.159 |
9 |
0 |
0 |
0.009 |
9 |
17 |
|
D |
11 |
5 |
5706 |
◊ |
C |
x,y,z |
1_555 |
12 |
5 |
5728 |
108.7 |
1.2 |
0.710 |
0 |
0 |
0 |
0.000 |
10 |
18 |
|
A |
13 |
4 |
5789 |
◊ |
B |
x,y-1,z |
1_545 |
11 |
4 |
5794 |
95.1 |
1.0 |
0.680 |
0 |
0 |
0 |
0.000 |
11 |
19 |
|
A |
13 |
6 |
5789 |
f |
[SO4]C:142 |
x,y-1,z |
1_545 |
5 |
1 |
185 |
77.4 |
-10.6 |
0.735 |
1 |
0 |
0 |
0.081 |
12 |
20 |
|
[SO4]B:142 |
5 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
13 |
6 |
5794 |
73.3 |
-9.7 |
0.729 |
1 |
0 |
0 |
0.074 |
13 |
21 |
|
[SO4]B:143 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
10 |
5 |
5794 |
69.2 |
-8.8 |
0.869 |
4 |
0 |
0 |
0.077 |
14 |
22 |
|
[SO4]A:142 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
10 |
5 |
5789 |
68.6 |
-8.7 |
0.851 |
4 |
0 |
0 |
0.152 |
23 |
|
[SO4]D:142 |
4 |
1 |
184 |
f |
D |
x,y,z |
1_555 |
9 |
5 |
5706 |
67.9 |
-8.6 |
0.854 |
4 |
0 |
0 |
0.152 |
Average: |
68.2 |
-8.6 |
0.853 |
4 |
0 |
0 |
0.152 |
15 |
24 |
|
[SO4]C:143 |
5 |
1 |
184 |
f |
C |
x,y,z |
1_555 |
11 |
6 |
5728 |
68.4 |
-8.7 |
0.846 |
4 |
0 |
0 |
0.076 |
16 |
25 |
|
[SO4]C:144 |
4 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
10 |
6 |
5728 |
66.0 |
-8.4 |
0.863 |
3 |
0 |
0 |
0.071 |
17 |
26 |
|
[SO4]D:143 |
4 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
10 |
6 |
5706 |
65.8 |
-8.6 |
0.828 |
4 |
0 |
0 |
0.075 |
18 |
27 |
|
B |
11 |
3 |
5794 |
◊ |
[TRS]D:141 |
-x+2,y-1/2,-z+2 |
2_747 |
5 |
1 |
255 |
63.3 |
1.6 |
0.133 |
0 |
0 |
0 |
0.000 |
28 |
|
[TRS]B:141 |
5 |
1 |
256 |
◊ |
D |
-x+1,y-1/2,-z+2 |
2_647 |
11 |
3 |
5706 |
61.9 |
1.5 |
0.552 |
0 |
0 |
0 |
0.000 |
Average: |
62.6 |
1.6 |
0.342 |
0 |
0 |
0 |
0.000 |
19 |
29 |
|
[TRS]A:141 |
5 |
1 |
256 |
◊ |
C |
-x+1,y-1/2,-z+1 |
2_646 |
11 |
3 |
5728 |
63.2 |
1.5 |
0.554 |
0 |
0 |
0 |
0.000 |
20 |
30 |
|
A |
11 |
3 |
5789 |
◊ |
[TRS]C:141 |
-x+2,y-1/2,-z+1 |
2_746 |
4 |
1 |
256 |
62.8 |
1.5 |
0.177 |
0 |
0 |
0 |
0.000 |
21 |
31 |
|
A |
11 |
6 |
5789 |
◊ |
C |
x,y-1,z |
1_545 |
12 |
4 |
5728 |
61.3 |
0.1 |
0.516 |
0 |
0 |
0 |
0.000 |
32 |
|
D |
10 |
4 |
5706 |
◊ |
B |
x,y,z |
1_555 |
11 |
6 |
5794 |
56.1 |
0.1 |
0.512 |
0 |
0 |
0 |
0.000 |
Average: |
58.7 |
0.1 |
0.514 |
0 |
0 |
0 |
0.000 |
22 |
33 |
|
[SO4]A:143 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
6 |
1 |
5789 |
55.1 |
-6.1 |
0.919 |
1 |
0 |
0 |
0.048 |
23 |
34 |
|
[SO4]B:142 |
4 |
1 |
184 |
◊ |
D |
x,y,z |
1_555 |
10 |
5 |
5706 |
54.0 |
-5.8 |
0.882 |
2 |
0 |
0 |
0.049 |
24 |
35 |
|
[SO4]C:142 |
4 |
1 |
185 |
◊ |
C |
x,y,z |
1_555 |
8 |
5 |
5728 |
53.0 |
-5.9 |
0.894 |
2 |
0 |
0 |
0.049 |
25 |
36 |
|
[SO4]B:144 |
4 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
5 |
1 |
5794 |
49.1 |
-4.9 |
0.946 |
2 |
0 |
0 |
0.042 |
26 |
37 |
|
[SO4]B:144 |
5 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
6 |
3 |
5728 |
47.5 |
-5.4 |
0.867 |
1 |
0 |
0 |
0.042 |
27 |
38 |
|
[SO4]A:143 |
5 |
1 |
185 |
◊ |
D |
x,y-1,z |
1_545 |
5 |
3 |
5706 |
47.2 |
-5.7 |
0.835 |
0 |
0 |
0 |
0.041 |
28 |
39 |
|
B |
5 |
3 |
5794 |
◊ |
[SO4]D:143 |
x,y-1,z |
1_545 |
4 |
1 |
185 |
37.6 |
-4.1 |
0.917 |
1 |
0 |
0 |
0.000 |
29 |
40 |
|
[SO4]A:143 |
4 |
1 |
185 |
◊ |
C |
x,y-1,z |
1_545 |
4 |
2 |
5728 |
37.3 |
-4.4 |
0.405 |
0 |
0 |
0 |
0.032 |
30 |
41 |
|
[SO4]C:144 |
5 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
4 |
2 |
5789 |
37.0 |
-4.3 |
0.946 |
1 |
0 |
0 |
0.000 |
31 |
42 |
|
[SO4]B:144 |
4 |
1 |
185 |
◊ |
D |
x,y,z |
1_555 |
2 |
1 |
5706 |
35.7 |
-4.2 |
0.277 |
0 |
0 |
0 |
0.031 |
32 |
43 |
|
B |
5 |
4 |
5794 |
◊ |
D |
x,y-1,z |
1_545 |
6 |
4 |
5706 |
23.0 |
0.3 |
0.590 |
0 |
0 |
0 |
0.000 |
44 |
|
C |
5 |
4 |
5728 |
◊ |
A |
x,y,z |
1_555 |
5 |
4 |
5789 |
21.2 |
0.3 |
0.592 |
0 |
0 |
0 |
0.000 |
Average: |
22.1 |
0.3 |
0.591 |
0 |
0 |
0 |
0.000 |
33 |
45 |
|
[SO4]B:143 |
1 |
1 |
186 |
◊ |
D |
-x+1,y-1/2,-z+2 |
2_647 |
1 |
1 |
5706 |
1.9 |
-0.2 |
0.651 |
0 |
0 |
0 |
0.000 |
|