## |
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 |
|
F |
86 |
26 |
7834 |
◊ |
B |
x,y,z |
1_555 |
105 |
32 |
9934 |
861.4 |
-7.8 |
0.175 |
11 |
0 |
0 |
0.434 |
2 |
|
G |
86 |
27 |
7740 |
◊ |
C |
x,y,z |
1_555 |
102 |
30 |
9932 |
838.7 |
-8.0 |
0.242 |
11 |
0 |
0 |
0.434 |
3 |
|
E |
80 |
26 |
7924 |
◊ |
A |
x,y,z |
1_555 |
106 |
32 |
9876 |
837.1 |
-7.7 |
0.245 |
10 |
0 |
0 |
0.434 |
Average: |
845.7 |
-7.8 |
0.221 |
11 |
0 |
0 |
0.434 |
2 |
4 |
|
H |
84 |
26 |
8049 |
◊ |
D |
x,y,z |
1_555 |
109 |
32 |
9895 |
836.3 |
-6.5 |
0.320 |
11 |
0 |
0 |
0.041 |
3 |
5 |
|
F |
74 |
20 |
7834 |
◊ |
D |
x,y,z |
1_555 |
78 |
24 |
9895 |
753.6 |
-6.3 |
0.256 |
11 |
2 |
0 |
0.038 |
6 |
|
E |
70 |
18 |
7924 |
◊ |
C |
x-1,y,z |
1_455 |
86 |
29 |
9932 |
719.6 |
-5.8 |
0.328 |
7 |
1 |
0 |
0.038 |
7 |
|
A |
73 |
26 |
9876 |
◊ |
H |
x-1/2,-y+1/2,-z |
4_455 |
65 |
19 |
8049 |
672.9 |
-6.3 |
0.256 |
8 |
2 |
0 |
0.038 |
8 |
|
B |
77 |
26 |
9934 |
◊ |
G |
x-1/2,-y+1/2,-z |
4_455 |
64 |
18 |
7740 |
668.4 |
-5.2 |
0.375 |
5 |
1 |
0 |
0.038 |
Average: |
703.6 |
-5.9 |
0.304 |
8 |
2 |
0 |
0.038 |
4 |
9 |
|
G |
40 |
15 |
7740 |
◊ |
H |
x-1/2,-y+1/2,-z |
4_455 |
51 |
17 |
8049 |
385.1 |
-2.9 |
0.447 |
3 |
0 |
0 |
0.000 |
5 |
10 |
|
C |
37 |
14 |
9932 |
◊ |
A |
-x+1,-y+1,z |
2_665 |
38 |
12 |
9876 |
339.7 |
-3.5 |
0.316 |
2 |
0 |
0 |
0.000 |
6 |
11 |
|
H |
40 |
12 |
8049 |
◊ |
G |
x,y,z |
1_555 |
45 |
11 |
7740 |
332.9 |
2.4 |
0.880 |
9 |
3 |
0 |
0.000 |
7 |
12 |
|
E |
36 |
13 |
7924 |
◊ |
F |
x-1/2,-y+1/2,-z+1 |
4_456 |
40 |
14 |
7834 |
328.4 |
-0.9 |
0.550 |
2 |
0 |
0 |
0.002 |
8 |
13 |
|
C |
36 |
9 |
9932 |
◊ |
H |
x-1/2,-y+1/2,-z |
4_455 |
31 |
10 |
8049 |
327.4 |
-3.1 |
0.305 |
1 |
1 |
0 |
0.003 |
14 |
|
A |
35 |
9 |
9876 |
◊ |
F |
x-1/2,-y+1/2,-z+1 |
4_456 |
28 |
11 |
7834 |
292.7 |
-2.7 |
0.313 |
1 |
0 |
0 |
0.003 |
Average: |
310.0 |
-2.9 |
0.309 |
1 |
1 |
0 |
0.003 |
9 |
15 |
|
F |
39 |
13 |
7834 |
◊ |
C |
x,y,z |
1_555 |
30 |
10 |
9932 |
279.8 |
0.4 |
0.704 |
5 |
2 |
0 |
0.000 |
10 |
16 |
|
B |
21 |
6 |
9934 |
◊ |
A |
x,y,z |
1_555 |
23 |
5 |
9876 |
223.4 |
-1.9 |
0.345 |
1 |
2 |
0 |
0.000 |
11 |
17 |
|
E |
23 |
8 |
7924 |
◊ |
B |
x-1/2,-y+1/2,-z+1 |
4_456 |
23 |
7 |
9934 |
187.8 |
-3.2 |
0.197 |
1 |
0 |
0 |
0.004 |
12 |
18 |
|
G |
19 |
6 |
7740 |
◊ |
D |
x-1/2,-y+1/2,-z |
4_455 |
17 |
4 |
9895 |
185.3 |
-1.8 |
0.328 |
1 |
0 |
0 |
0.000 |
13 |
19 |
|
E |
22 |
6 |
7924 |
◊ |
D |
x-1,y,z |
1_455 |
19 |
7 |
9895 |
174.7 |
-0.3 |
0.488 |
0 |
0 |
0 |
0.000 |
14 |
20 |
|
D |
18 |
8 |
9895 |
◊ |
B |
-x+1,-y,z |
2_655 |
17 |
8 |
9934 |
136.4 |
-0.2 |
0.603 |
1 |
0 |
0 |
0.000 |
15 |
21 |
|
A |
17 |
8 |
9876 |
◊ |
D |
x-1/2,-y+1/2,-z+1 |
4_456 |
23 |
8 |
9895 |
135.7 |
0.7 |
0.712 |
0 |
0 |
0 |
0.000 |
16 |
22 |
|
B |
18 |
7 |
9934 |
◊ |
C |
x-1/2,-y+1/2,-z+1 |
4_456 |
17 |
7 |
9932 |
125.8 |
1.5 |
0.800 |
0 |
0 |
0 |
0.000 |
17 |
23 |
|
[SO4]F:153 |
5 |
1 |
191 |
f |
F |
x,y,z |
1_555 |
13 |
8 |
7834 |
108.1 |
-13.2 |
0.808 |
3 |
0 |
0 |
0.259 |
18 |
24 |
|
[SO4]D:222 |
5 |
1 |
187 |
f |
D |
x,y,z |
1_555 |
18 |
6 |
9895 |
107.6 |
-15.4 |
0.773 |
3 |
0 |
0 |
0.100 |
19 |
25 |
|
[SO4]B:223 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
16 |
6 |
9934 |
102.4 |
-14.9 |
0.800 |
4 |
0 |
0 |
0.297 |
20 |
26 |
|
[SO4]A:222 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
15 |
6 |
9876 |
102.0 |
-15.1 |
0.878 |
4 |
0 |
0 |
0.581 |
21 |
27 |
|
[SO4]C:222 |
5 |
1 |
188 |
f |
C |
x,y,z |
1_555 |
16 |
6 |
9932 |
100.2 |
-15.1 |
0.831 |
4 |
0 |
0 |
0.566 |
22 |
28 |
|
[SO4]B:222 |
5 |
1 |
189 |
f |
B |
x,y,z |
1_555 |
12 |
6 |
9934 |
89.2 |
-11.0 |
0.909 |
3 |
0 |
0 |
0.219 |
23 |
29 |
|
C |
10 |
6 |
9932 |
◊ |
A |
x,y,z |
1_555 |
15 |
7 |
9876 |
69.8 |
0.9 |
0.713 |
0 |
0 |
0 |
0.000 |
24 |
30 |
|
[SO4]B:222 |
4 |
1 |
189 |
◊ |
C |
x-1/2,-y+1/2,-z+1 |
4_456 |
5 |
1 |
9932 |
40.1 |
-5.3 |
0.721 |
1 |
0 |
0 |
0.000 |
25 |
31 |
|
A |
2 |
1 |
9876 |
◊ |
[SO4]F:153 |
x-1/2,-y+1/2,-z+1 |
4_456 |
3 |
1 |
191 |
34.7 |
-3.3 |
0.666 |
0 |
0 |
0 |
0.003 |
26 |
32 |
|
A |
2 |
1 |
9876 |
◊ |
G |
x-1/2,-y+1/2,-z |
4_455 |
2 |
1 |
7740 |
26.3 |
0.6 |
0.484 |
0 |
0 |
0 |
0.000 |
27 |
33 |
|
B |
4 |
3 |
9934 |
◊ |
D |
x-1,y,z |
1_455 |
8 |
4 |
9895 |
19.3 |
0.0 |
0.646 |
0 |
0 |
0 |
0.000 |
28 |
34 |
|
B |
1 |
1 |
9934 |
◊ |
B |
-x+1,-y,z |
2_655 |
1 |
1 |
9934 |
16.2 |
-0.5 |
0.136 |
0 |
0 |
0 |
0.000 |
29 |
35 |
|
E |
2 |
1 |
7924 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
9934 |
14.6 |
-0.1 |
0.501 |
0 |
0 |
0 |
0.000 |
30 |
36 |
|
E |
1 |
1 |
7924 |
◊ |
H |
x-1/2,-y+1/2,-z |
4_455 |
1 |
1 |
8049 |
7.9 |
-0.0 |
0.451 |
0 |
0 |
0 |
0.000 |
37 |
|
F |
1 |
1 |
7834 |
◊ |
G |
x-1/2,-y+1/2,-z |
4_455 |
1 |
1 |
7740 |
7.6 |
-0.0 |
0.465 |
0 |
0 |
0 |
0.000 |
38 |
|
E |
1 |
1 |
7924 |
◊ |
G |
x-1,y,z |
1_455 |
1 |
1 |
7740 |
3.7 |
-0.0 |
0.544 |
0 |
0 |
0 |
0.000 |
Average: |
6.4 |
-0.0 |
0.487 |
0 |
0 |
0 |
0.000 |
31 |
39 |
|
H |
3 |
3 |
8049 |
◊ |
F |
x,y,z |
1_555 |
2 |
2 |
7834 |
3.9 |
0.0 |
0.596 |
0 |
0 |
0 |
0.000 |
|