## |
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 |
|
A |
48 |
13 |
6920 |
◊ |
A |
-x,y,-z+1 |
2_556 |
47 |
13 |
6920 |
466.1 |
-3.9 |
0.368 |
6 |
2 |
0 |
0.000 |
2 |
|
D |
44 |
13 |
6999 |
◊ |
D |
-x+1,y,-z+1 |
2_656 |
43 |
13 |
6999 |
442.0 |
-3.7 |
0.339 |
6 |
2 |
0 |
0.000 |
3 |
|
B |
44 |
13 |
6881 |
◊ |
C |
x,y,z-1 |
1_554 |
42 |
12 |
6926 |
428.9 |
-3.5 |
0.366 |
6 |
3 |
0 |
0.000 |
Average: |
445.6 |
-3.7 |
0.358 |
6 |
2 |
0 |
0.000 |
2 |
4 |
|
D |
39 |
13 |
6999 |
◊ |
C |
-x+1/2,y-1/2,-z+1 |
4_546 |
38 |
14 |
6926 |
367.7 |
-3.5 |
0.325 |
2 |
0 |
0 |
0.000 |
5 |
|
A |
36 |
14 |
6920 |
◊ |
B |
-x+1/2,y-1/2,-z+1 |
4_546 |
37 |
13 |
6881 |
364.4 |
-3.2 |
0.354 |
2 |
0 |
0 |
0.000 |
Average: |
366.0 |
-3.4 |
0.340 |
2 |
0 |
0 |
0.000 |
3 |
6 |
|
B |
39 |
11 |
6881 |
◊ |
A |
x,y,z |
1_555 |
40 |
11 |
6920 |
359.5 |
-0.2 |
0.692 |
7 |
0 |
0 |
0.047 |
7 |
|
D |
41 |
11 |
6999 |
◊ |
C |
x,y,z |
1_555 |
41 |
11 |
6926 |
359.3 |
-0.3 |
0.660 |
6 |
0 |
0 |
0.047 |
Average: |
359.4 |
-0.2 |
0.676 |
7 |
0 |
0 |
0.047 |
4 |
8 |
|
A |
15 |
4 |
6920 |
◊ |
C |
-x+1/2,y-1/2,-z+1 |
4_546 |
15 |
4 |
6926 |
153.7 |
-1.3 |
0.422 |
0 |
0 |
0 |
0.000 |
5 |
9 |
|
[BME]D:139 |
4 |
1 |
207 |
f |
D |
x,y,z |
1_555 |
20 |
6 |
6999 |
111.9 |
-0.2 |
0.483 |
0 |
0 |
0 |
0.002 |
6 |
10 |
|
D |
14 |
5 |
6999 |
◊ |
B |
-x+1/2,y-1/2,-z+1 |
4_546 |
13 |
4 |
6881 |
105.2 |
-0.9 |
0.489 |
0 |
0 |
0 |
0.000 |
7 |
11 |
|
D |
14 |
5 |
6999 |
◊ |
A |
x,y,z |
1_555 |
10 |
4 |
6920 |
101.2 |
-0.1 |
0.614 |
1 |
0 |
0 |
0.000 |
12 |
|
C |
10 |
3 |
6926 |
◊ |
B |
x,y,z |
1_555 |
11 |
4 |
6881 |
85.3 |
-0.4 |
0.553 |
1 |
0 |
0 |
0.000 |
Average: |
93.2 |
-0.3 |
0.584 |
1 |
0 |
0 |
0.000 |
8 |
13 |
|
[BME]C:139 |
4 |
1 |
208 |
◊ |
C |
x,y,z |
1_555 |
14 |
4 |
6926 |
92.7 |
1.9 |
0.615 |
1 |
0 |
0 |
0.000 |
9 |
14 |
|
[SO4]B:137 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
14 |
6 |
6881 |
89.9 |
-13.3 |
0.728 |
5 |
0 |
0 |
0.225 |
10 |
15 |
|
[SO4]D:137 |
5 |
1 |
184 |
f |
D |
x,y,z |
1_555 |
14 |
6 |
6999 |
89.8 |
-13.3 |
0.725 |
5 |
0 |
0 |
0.201 |
11 |
16 |
|
[SO4]C:137 |
5 |
1 |
186 |
f |
C |
x,y,z |
1_555 |
13 |
6 |
6926 |
87.1 |
-12.8 |
0.705 |
5 |
0 |
0 |
0.195 |
12 |
17 |
|
[SO4]A:137 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
13 |
5 |
6920 |
84.6 |
-12.4 |
0.723 |
5 |
0 |
0 |
0.211 |
13 |
18 |
|
[BME]B:139 |
4 |
1 |
208 |
f |
B |
x,y,z |
1_555 |
15 |
5 |
6881 |
83.7 |
-1.5 |
0.392 |
3 |
0 |
0 |
0.041 |
14 |
19 |
|
[BME]A:139 |
4 |
1 |
207 |
f |
A |
x,y,z |
1_555 |
12 |
5 |
6920 |
80.0 |
-0.2 |
0.437 |
0 |
0 |
0 |
0.003 |
15 |
20 |
|
[BME]C:138 |
4 |
1 |
208 |
f |
C |
x,y,z |
1_555 |
14 |
5 |
6926 |
79.6 |
-1.3 |
0.401 |
1 |
0 |
0 |
0.023 |
16 |
21 |
|
[BME]D:140 |
4 |
1 |
207 |
f |
D |
x,y,z |
1_555 |
10 |
4 |
6999 |
78.2 |
-1.6 |
0.366 |
2 |
0 |
0 |
0.032 |
17 |
22 |
|
[SO4]D:138 |
5 |
1 |
185 |
◊ |
D |
x,y,z |
1_555 |
11 |
4 |
6999 |
75.1 |
-10.6 |
0.684 |
4 |
0 |
0 |
0.161 |
18 |
23 |
|
[SO4]D:138 |
5 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
11 |
4 |
6926 |
74.7 |
-10.7 |
0.678 |
4 |
0 |
0 |
0.161 |
19 |
24 |
|
[SO4]A:138 |
5 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
11 |
4 |
6881 |
74.3 |
-10.5 |
0.684 |
4 |
0 |
0 |
0.178 |
20 |
25 |
|
[SO4]A:138 |
5 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
12 |
5 |
6920 |
73.8 |
-10.6 |
0.685 |
4 |
0 |
0 |
0.179 |
21 |
26 |
|
[SO4]B:138 |
4 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
4 |
2 |
6881 |
56.4 |
-6.3 |
0.971 |
3 |
0 |
0 |
0.000 |
22 |
27 |
|
D |
4 |
2 |
6999 |
f |
[SO4]B:138 |
-x+1/2,y-1/2,-z+1 |
4_546 |
4 |
1 |
185 |
55.9 |
-6.2 |
0.964 |
4 |
0 |
0 |
0.103 |
23 |
28 |
|
C |
7 |
3 |
6926 |
◊ |
A |
x,y,z |
1_555 |
7 |
4 |
6920 |
53.2 |
0.7 |
0.773 |
0 |
0 |
0 |
0.000 |
24 |
29 |
|
A |
7 |
1 |
6920 |
f |
[BME]C:139 |
-x+1/2,y-1/2,-z+1 |
4_546 |
2 |
1 |
208 |
38.2 |
-1.7 |
0.376 |
0 |
0 |
0 |
0.025 |
25 |
30 |
|
[BME]D:140 |
4 |
1 |
207 |
◊ |
[BME]C:138 |
-x+1/2,y-1/2,-z+1 |
4_546 |
3 |
1 |
208 |
37.8 |
1.7 |
0.568 |
0 |
0 |
0 |
0.000 |
26 |
31 |
|
[BME]A:139 |
4 |
1 |
207 |
◊ |
[BME]B:139 |
-x+1/2,y-1/2,-z+1 |
4_546 |
4 |
1 |
208 |
33.6 |
0.9 |
0.455 |
1 |
0 |
0 |
0.000 |
27 |
32 |
|
[SO4]D:137 |
2 |
1 |
184 |
◊ |
C |
x,y,z |
1_555 |
4 |
2 |
6926 |
23.5 |
-2.9 |
0.784 |
1 |
0 |
0 |
0.043 |
28 |
33 |
|
[SO4]A:137 |
1 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
6881 |
22.3 |
-2.8 |
0.750 |
1 |
0 |
0 |
0.047 |
29 |
34 |
|
[SO4]C:137 |
1 |
1 |
186 |
◊ |
D |
x,y,z |
1_555 |
2 |
1 |
6999 |
21.6 |
-2.7 |
0.759 |
1 |
0 |
0 |
0.040 |
30 |
35 |
|
[SO4]B:137 |
2 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
3 |
2 |
6920 |
21.4 |
-2.6 |
0.832 |
1 |
0 |
0 |
0.044 |
31 |
36 |
|
[SO4]D:137 |
2 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
6920 |
16.3 |
-1.7 |
0.843 |
0 |
0 |
0 |
0.000 |
32 |
37 |
|
[SO4]B:137 |
2 |
1 |
185 |
◊ |
C |
x,y,z |
1_555 |
2 |
1 |
6926 |
12.2 |
-1.3 |
0.846 |
0 |
0 |
0 |
0.000 |
33 |
38 |
|
D |
1 |
1 |
6999 |
◊ |
C |
-x+1,y,-z+2 |
2_657 |
3 |
2 |
6926 |
9.3 |
0.3 |
0.787 |
0 |
0 |
0 |
0.000 |
34 |
39 |
|
D |
1 |
1 |
6999 |
◊ |
[SO4]B:137 |
-x+1/2,y-1/2,-z+1 |
4_546 |
1 |
1 |
185 |
6.1 |
-0.7 |
0.792 |
0 |
0 |
0 |
0.000 |
35 |
40 |
|
D |
2 |
2 |
6999 |
◊ |
B |
x,y,z |
1_555 |
2 |
2 |
6881 |
6.1 |
0.2 |
0.714 |
0 |
0 |
0 |
0.000 |
|