| ## |
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 |
79 |
20 |
10695 |
◊ |
C |
-x,y,-z+1/2 |
3_555 |
80 |
20 |
10695 |
756.2 |
-4.0 |
0.394 |
10 |
0 |
0 |
0.032 |
| 2 |
2 |
|
A |
84 |
24 |
10803 |
◊ |
B |
-x+1/2,-y+1/2,z-1/2 |
6_554 |
85 |
24 |
10998 |
739.7 |
-5.8 |
0.307 |
5 |
0 |
0 |
0.000 |
| 3 |
3 |
|
C |
79 |
20 |
10695 |
◊ |
B |
-x+1/2,-y+1/2,z-1/2 |
6_554 |
69 |
22 |
10998 |
688.1 |
-6.5 |
0.225 |
5 |
0 |
0 |
0.073 |
| 4 |
4 |
|
C |
49 |
13 |
10695 |
◊ |
A |
x,y,z |
1_555 |
53 |
12 |
10803 |
449.2 |
2.6 |
0.791 |
6 |
4 |
0 |
0.000 |
| 5 |
5 |
|
B |
41 |
13 |
10998 |
◊ |
A |
x,y,z |
1_555 |
40 |
10 |
10803 |
319.8 |
-2.9 |
0.354 |
3 |
0 |
0 |
0.000 |
| 6 |
6 |
|
B |
36 |
12 |
10998 |
◊ |
B |
x,-y,-z+1 |
4_556 |
36 |
12 |
10998 |
305.6 |
-3.3 |
0.308 |
0 |
0 |
0 |
0.000 |
| 7 |
7 |
|
C |
20 |
6 |
10695 |
◊ |
B |
x-1/2,-y+1/2,-z+1 |
8_456 |
18 |
7 |
10998 |
176.9 |
-2.3 |
0.286 |
1 |
0 |
0 |
0.021 |
| 8 |
8 |
|
B |
14 |
6 |
10998 |
◊ |
C |
-x+1/2,-y+1/2,z-1/2 |
6_554 |
11 |
4 |
10695 |
118.2 |
2.3 |
0.857 |
4 |
2 |
0 |
0.000 |
| 9 |
9 |
|
[SO4]A:3001 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
19 |
10 |
10803 |
98.8 |
-14.5 |
0.760 |
3 |
0 |
0 |
0.027 |
| 10 |
10 |
|
A |
9 |
2 |
10803 |
x |
A |
-x+1/2,-y+1/2,z-1/2 |
6_554 |
15 |
5 |
10803 |
93.4 |
-1.2 |
0.337 |
1 |
0 |
0 |
0.000 |
| 11 |
11 |
|
[SO4]B:3004 |
5 |
1 |
187 |
f |
B |
x,y,z |
1_555 |
12 |
4 |
10998 |
83.7 |
-12.6 |
0.763 |
5 |
0 |
0 |
0.123 |
| 12 |
12 |
|
[SO4]C:3003 |
5 |
1 |
186 |
f |
C |
x,y,z |
1_555 |
16 |
10 |
10695 |
81.4 |
-13.4 |
0.636 |
6 |
0 |
0 |
0.133 |
| 13 |
13 |
|
[SO4]B:3002 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
17 |
11 |
10998 |
81.3 |
-11.2 |
0.754 |
3 |
0 |
0 |
0.104 |
| 14 |
14 |
|
[HG]B:2002 |
1 |
1 |
137 |
f |
B |
x,y,z |
1_555 |
14 |
8 |
10998 |
75.7 |
-23.0 |
0.000 |
0 |
0 |
0 |
0.190 |
15 |
|
[HG]A:2001 |
1 |
1 |
137 |
f |
A |
x,y,z |
1_555 |
12 |
7 |
10803 |
75.1 |
-23.7 |
0.000 |
0 |
0 |
0 |
0.190 |
| Average: |
75.4 |
-23.3 |
0.000 |
0 |
0 |
0 |
0.190 |
| 15 |
16 |
|
[MN]A:1006 |
1 |
1 |
123 |
f |
A |
x,y,z |
1_555 |
11 |
7 |
10803 |
52.0 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.071 |
17 |
|
[MN]B:1003 |
1 |
1 |
123 |
f |
B |
x,y,z |
1_555 |
10 |
7 |
10998 |
51.6 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.071 |
18 |
|
[MN]C:1001 |
1 |
1 |
123 |
f |
C |
x,y,z |
1_555 |
13 |
9 |
10695 |
45.4 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.071 |
| Average: |
49.7 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.071 |
| 16 |
19 |
|
[MN]A:1005 |
1 |
1 |
123 |
f |
A |
x,y,z |
1_555 |
10 |
6 |
10803 |
42.8 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.065 |
20 |
|
[MN]B:1004 |
1 |
1 |
123 |
f |
B |
x,y,z |
1_555 |
8 |
5 |
10998 |
41.9 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.065 |
21 |
|
[MN]C:1002 |
1 |
1 |
123 |
f |
C |
x,y,z |
1_555 |
10 |
6 |
10695 |
39.9 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.065 |
| Average: |
41.5 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.065 |
| 17 |
22 |
|
C |
6 |
2 |
10695 |
◊ |
[SO4]B:3002 |
-x+1/2,-y+1/2,z-1/2 |
6_554 |
4 |
1 |
186 |
40.9 |
-4.3 |
0.823 |
1 |
0 |
0 |
0.039 |
| 18 |
23 |
|
[SO4]C:3003 |
4 |
1 |
186 |
f |
[MN]C:1001 |
x,y,z |
1_555 |
1 |
1 |
123 |
28.6 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.036 |
24 |
|
[SO4]A:3001 |
3 |
1 |
186 |
f |
[MN]A:1005 |
x,y,z |
1_555 |
1 |
1 |
123 |
27.9 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.036 |
| Average: |
28.3 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.036 |
| 19 |
25 |
|
[SO4]C:3003 |
4 |
1 |
186 |
f |
[MN]C:1002 |
x,y,z |
1_555 |
1 |
1 |
123 |
28.1 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.035 |
| 20 |
26 |
|
C |
3 |
3 |
10695 |
◊ |
[HG]B:2002 |
-x+1/2,-y+1/2,z-1/2 |
6_554 |
1 |
1 |
137 |
24.9 |
-5.1 |
0.000 |
0 |
0 |
0 |
0.042 |
| 21 |
27 |
|
[SO4]B:3002 |
4 |
1 |
186 |
f |
[MN]B:1004 |
x,y,z |
1_555 |
1 |
1 |
123 |
24.5 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.034 |
| 22 |
28 |
|
A |
4 |
2 |
10803 |
◊ |
C |
-x+1/2,-y+1/2,z-1/2 |
6_554 |
4 |
3 |
10695 |
22.3 |
-0.5 |
0.383 |
0 |
0 |
0 |
0.000 |
| 23 |
29 |
|
[SO4]C:3003 |
3 |
1 |
186 |
◊ |
C |
-x,y,-z+1/2 |
3_555 |
4 |
2 |
10695 |
20.5 |
-1.9 |
0.824 |
0 |
0 |
0 |
0.015 |
| 24 |
30 |
|
[MN]A:1006 |
1 |
1 |
123 |
f |
[MN]A:1005 |
x,y,z |
1_555 |
1 |
1 |
123 |
19.6 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.003 |
| 25 |
31 |
|
[SO4]A:3001 |
4 |
1 |
186 |
f |
[MN]A:1006 |
x,y,z |
1_555 |
1 |
1 |
123 |
19.6 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.005 |
| 26 |
32 |
|
[MN]B:1004 |
1 |
1 |
123 |
f |
[MN]B:1003 |
x,y,z |
1_555 |
1 |
1 |
123 |
19.4 |
-1.9 |
0.000 |
0 |
0 |
0 |
0.016 |
| 27 |
33 |
|
[SO4]B:3002 |
4 |
1 |
186 |
f |
[MN]B:1003 |
x,y,z |
1_555 |
1 |
1 |
123 |
17.8 |
-2.7 |
0.000 |
0 |
0 |
0 |
0.022 |
| 28 |
34 |
|
[MN]C:1002 |
1 |
1 |
123 |
f |
[MN]C:1001 |
x,y,z |
1_555 |
1 |
1 |
123 |
17.5 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.015 |
| 29 |
35 |
|
C |
1 |
1 |
10695 |
◊ |
[MN]B:1004 |
-x+1/2,-y+1/2,z-1/2 |
6_554 |
1 |
1 |
123 |
4.6 |
-0.1 |
0.000 |
0 |
0 |
0 |
0.001 |
| 30 |
36 |
|
A |
1 |
1 |
10803 |
◊ |
[HG]B:2002 |
-x+1/2,-y+1/2,z-1/2 |
6_554 |
1 |
1 |
137 |
0.2 |
-0.0 |
0.000 |
0 |
0 |
0 |
0.000 |
|