## |
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 |
313 |
80 |
31996 |
◊ |
A |
x,y,z |
1_555 |
307 |
77 |
31675 |
2926.0 |
-19.9 |
0.143 |
24 |
15 |
0 |
0.279 |
2 |
|
D |
302 |
77 |
32004 |
◊ |
C |
x,y,z |
1_555 |
314 |
82 |
31583 |
2920.1 |
-21.5 |
0.107 |
27 |
15 |
0 |
0.279 |
Average: |
2923.1 |
-20.7 |
0.125 |
26 |
15 |
0 |
0.279 |
2 |
3 |
|
D |
203 |
59 |
32004 |
◊ |
B |
x,y,z |
1_555 |
204 |
62 |
31996 |
2125.3 |
-23.2 |
0.016 |
16 |
10 |
0 |
0.308 |
4 |
|
C |
205 |
57 |
31583 |
◊ |
A |
x,y,z |
1_555 |
202 |
58 |
31675 |
2105.5 |
-23.5 |
0.012 |
14 |
9 |
0 |
0.308 |
Average: |
2115.4 |
-23.3 |
0.014 |
15 |
10 |
0 |
0.308 |
3 |
5 |
|
C |
61 |
23 |
31583 |
◊ |
B |
x,y-1,z |
1_545 |
58 |
23 |
31996 |
505.5 |
0.8 |
0.739 |
2 |
0 |
0 |
0.000 |
4 |
6 |
|
C |
30 |
12 |
31583 |
◊ |
B |
x,y,z |
1_555 |
30 |
13 |
31996 |
282.5 |
-1.2 |
0.483 |
0 |
0 |
0 |
0.013 |
7 |
|
D |
25 |
10 |
32004 |
◊ |
A |
x,y,z |
1_555 |
27 |
11 |
31675 |
229.7 |
-2.7 |
0.256 |
1 |
0 |
0 |
0.013 |
Average: |
256.1 |
-1.9 |
0.370 |
1 |
0 |
0 |
0.013 |
5 |
8 |
|
B |
26 |
9 |
31996 |
◊ |
A |
x-1,y,z |
1_455 |
32 |
12 |
31675 |
252.0 |
-0.6 |
0.567 |
1 |
0 |
0 |
0.000 |
6 |
9 |
|
C |
24 |
8 |
31583 |
x |
C |
-x,y-1/2,-z+2 |
2_547 |
29 |
8 |
31583 |
218.4 |
-1.7 |
0.327 |
2 |
1 |
0 |
0.000 |
10 |
|
B |
27 |
8 |
31996 |
x |
B |
-x,y-1/2,-z+3 |
2_548 |
23 |
8 |
31996 |
202.7 |
-2.1 |
0.265 |
0 |
0 |
0 |
0.000 |
Average: |
210.5 |
-1.9 |
0.296 |
1 |
1 |
0 |
0.000 |
7 |
11 |
|
C |
23 |
11 |
31583 |
◊ |
D |
x-1,y,z |
1_455 |
19 |
8 |
32004 |
155.4 |
0.9 |
0.747 |
2 |
2 |
0 |
0.000 |
8 |
12 |
|
A |
14 |
5 |
31675 |
x |
A |
-x+1,y-1/2,-z+3 |
2_648 |
16 |
5 |
31675 |
138.6 |
-0.2 |
0.573 |
1 |
0 |
0 |
0.000 |
9 |
13 |
|
C |
12 |
4 |
31583 |
◊ |
D |
x,y-1,z |
1_545 |
13 |
4 |
32004 |
118.9 |
0.8 |
0.755 |
0 |
1 |
0 |
0.000 |
14 |
|
A |
15 |
5 |
31675 |
◊ |
B |
x,y-1,z |
1_545 |
12 |
4 |
31996 |
107.8 |
0.9 |
0.768 |
0 |
1 |
0 |
0.000 |
Average: |
113.4 |
0.9 |
0.762 |
0 |
1 |
0 |
0.000 |
10 |
15 |
|
[SO4]B:903 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
14 |
6 |
31996 |
95.9 |
-13.9 |
0.635 |
1 |
0 |
0 |
0.112 |
11 |
16 |
|
[PGE]B:907 |
5 |
1 |
330 |
◊ |
C |
x,y,z |
1_555 |
9 |
6 |
31583 |
85.7 |
0.9 |
0.188 |
0 |
0 |
0 |
0.000 |
12 |
17 |
|
[PGE]B:907 |
5 |
1 |
330 |
◊ |
B |
x,y,z |
1_555 |
10 |
6 |
31996 |
84.4 |
1.7 |
0.264 |
0 |
0 |
0 |
0.000 |
13 |
18 |
|
[SO4]D:901 |
5 |
1 |
184 |
f |
C |
x,y,z |
1_555 |
11 |
3 |
31583 |
81.6 |
-10.8 |
0.648 |
1 |
0 |
0 |
0.111 |
14 |
19 |
|
[SO4]C:901 |
5 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
8 |
3 |
32004 |
78.8 |
-10.5 |
0.584 |
0 |
0 |
0 |
0.082 |
15 |
20 |
|
[SO4]B:905 |
5 |
1 |
187 |
f |
B |
x,y,z |
1_555 |
11 |
5 |
31996 |
76.5 |
-10.5 |
0.742 |
2 |
0 |
0 |
0.089 |
16 |
21 |
|
[SO4]B:904 |
5 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
10 |
5 |
31996 |
74.3 |
-10.5 |
0.845 |
5 |
0 |
0 |
0.100 |
17 |
22 |
|
[SO4]A:901 |
5 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
7 |
3 |
31996 |
73.4 |
-9.5 |
0.635 |
1 |
0 |
0 |
0.068 |
18 |
23 |
|
[SO4]D:902 |
5 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
9 |
5 |
32004 |
72.3 |
-10.3 |
0.767 |
3 |
0 |
0 |
0.091 |
19 |
24 |
|
[SO4]A:901 |
5 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
10 |
4 |
31675 |
72.3 |
-10.4 |
0.810 |
1 |
0 |
0 |
0.107 |
20 |
25 |
|
[SO4]B:901 |
5 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
7 |
3 |
31675 |
70.1 |
-8.3 |
0.813 |
1 |
0 |
0 |
0.060 |
21 |
26 |
|
[SO4]C:903 |
5 |
1 |
186 |
f |
C |
x,y,z |
1_555 |
9 |
5 |
31583 |
69.6 |
-10.0 |
0.806 |
3 |
0 |
0 |
0.112 |
22 |
27 |
|
[SO4]C:901 |
5 |
1 |
185 |
◊ |
C |
x,y,z |
1_555 |
8 |
3 |
31583 |
69.2 |
-9.7 |
0.812 |
1 |
0 |
0 |
0.080 |
23 |
28 |
|
[SO4]D:901 |
5 |
1 |
184 |
◊ |
D |
x,y,z |
1_555 |
9 |
4 |
32004 |
68.9 |
-10.0 |
0.807 |
1 |
0 |
0 |
0.082 |
24 |
29 |
|
[SO4]B:901 |
5 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
9 |
3 |
31996 |
65.0 |
-9.1 |
0.787 |
1 |
0 |
0 |
0.075 |
25 |
30 |
|
[SO4]A:902 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
9 |
3 |
31675 |
62.7 |
-8.7 |
0.439 |
0 |
0 |
0 |
0.086 |
26 |
31 |
|
[SO4]C:902 |
5 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
8 |
3 |
31583 |
59.1 |
-8.0 |
0.496 |
1 |
0 |
0 |
0.083 |
27 |
32 |
|
C |
7 |
3 |
31583 |
◊ |
D |
-x,y-1/2,-z+2 |
2_547 |
7 |
3 |
32004 |
59.1 |
0.3 |
0.646 |
1 |
0 |
0 |
0.000 |
33 |
|
A |
6 |
3 |
31675 |
◊ |
B |
-x,y-1/2,-z+3 |
2_548 |
7 |
4 |
31996 |
31.0 |
0.3 |
0.635 |
0 |
0 |
0 |
0.000 |
Average: |
45.0 |
0.3 |
0.640 |
1 |
0 |
0 |
0.000 |
28 |
34 |
|
[SO4]B:902 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
6 |
3 |
31996 |
55.3 |
-7.4 |
0.459 |
1 |
0 |
0 |
0.061 |
29 |
35 |
|
[MG]B:906 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
7 |
6 |
31996 |
50.4 |
-9.7 |
0.000 |
0 |
0 |
0 |
0.192 |
36 |
|
[MG]D:903 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
6 |
6 |
32004 |
50.2 |
-9.7 |
0.000 |
0 |
0 |
0 |
0.192 |
37 |
|
[MG]C:904 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
6 |
5 |
31583 |
50.1 |
-9.7 |
0.000 |
0 |
0 |
0 |
0.192 |
38 |
|
[MG]A:903 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
5 |
5 |
31675 |
49.5 |
-9.7 |
0.000 |
0 |
0 |
0 |
0.192 |
Average: |
50.0 |
-9.7 |
0.000 |
0 |
0 |
0 |
0.192 |
30 |
39 |
|
A |
7 |
3 |
31675 |
◊ |
[SO4]B:902 |
x,y-1,z |
1_545 |
4 |
1 |
185 |
39.0 |
-5.0 |
0.888 |
1 |
0 |
0 |
0.000 |
31 |
40 |
|
[SO4]C:902 |
4 |
1 |
185 |
◊ |
D |
x,y-1,z |
1_545 |
7 |
3 |
32004 |
37.3 |
-4.3 |
0.891 |
0 |
0 |
0 |
0.000 |
32 |
41 |
|
[PGE]B:907 |
1 |
1 |
330 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
31675 |
7.9 |
0.1 |
0.415 |
0 |
0 |
0 |
0.000 |
33 |
42 |
|
[PGE]B:907 |
1 |
1 |
330 |
f |
D |
x,y,z |
1_555 |
2 |
1 |
32004 |
7.5 |
-0.2 |
0.248 |
0 |
0 |
0 |
0.001 |
|