| ## |
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 |
|
D |
90 |
27 |
5634 |
◊ |
C |
x,y,z |
1_555 |
99 |
30 |
8004 |
900.8 |
-12.1 |
0.216 |
13 |
1 |
0 |
0.427 |
2 |
|
B |
91 |
28 |
5749 |
◊ |
A |
x,y,z |
1_555 |
98 |
29 |
7909 |
890.6 |
-11.7 |
0.198 |
12 |
2 |
0 |
0.427 |
| Average: |
895.7 |
-11.9 |
0.207 |
13 |
2 |
0 |
0.427 |
| 2 |
3 |
|
A |
90 |
29 |
7909 |
◊ |
A |
x,x-y,-z+1/2 |
12_555 |
88 |
29 |
7909 |
854.0 |
1.3 |
0.862 |
13 |
4 |
0 |
0.025 |
4 |
|
C |
85 |
28 |
8004 |
◊ |
C |
y,x,-z |
11_555 |
85 |
27 |
8004 |
843.6 |
1.2 |
0.855 |
13 |
6 |
0 |
0.025 |
| Average: |
848.8 |
1.2 |
0.858 |
13 |
5 |
0 |
0.025 |
| 3 |
5 |
|
A |
59 |
18 |
7909 |
◊ |
A |
-y+1,-x+1,-z+1/2 |
8_665 |
59 |
18 |
7909 |
520.3 |
-2.7 |
0.618 |
6 |
4 |
0 |
0.022 |
6 |
|
C |
60 |
19 |
8004 |
◊ |
C |
-x,-x+y,-z |
9_555 |
60 |
19 |
8004 |
487.1 |
-2.8 |
0.609 |
4 |
4 |
0 |
0.022 |
| Average: |
503.7 |
-2.8 |
0.614 |
5 |
4 |
0 |
0.022 |
| 4 |
7 |
|
D |
46 |
13 |
5634 |
◊ |
B |
x,y,z |
1_555 |
43 |
14 |
5749 |
410.7 |
0.5 |
0.767 |
7 |
1 |
0 |
0.000 |
| 5 |
8 |
|
B |
29 |
9 |
5749 |
◊ |
A |
x,x-y,-z+1/2 |
12_555 |
35 |
11 |
7909 |
241.7 |
2.5 |
0.881 |
5 |
4 |
0 |
0.002 |
9 |
|
D |
30 |
9 |
5634 |
◊ |
C |
y,x,-z |
11_555 |
36 |
10 |
8004 |
234.2 |
2.5 |
0.892 |
5 |
3 |
0 |
0.002 |
| Average: |
238.0 |
2.5 |
0.887 |
5 |
4 |
0 |
0.002 |
| 6 |
10 |
|
C |
18 |
6 |
8004 |
x |
C |
-y,x-y,z |
3_555 |
20 |
8 |
8004 |
182.9 |
-3.2 |
0.222 |
0 |
0 |
0 |
0.028 |
11 |
|
A |
20 |
9 |
7909 |
x |
A |
-y+1,x-y,z |
3_655 |
19 |
7 |
7909 |
179.9 |
-3.0 |
0.262 |
0 |
0 |
0 |
0.028 |
| Average: |
181.4 |
-3.1 |
0.242 |
0 |
0 |
0 |
0.028 |
| 7 |
12 |
|
[SO4]C:203 |
5 |
1 |
186 |
f |
C |
x,y,z |
1_555 |
14 |
7 |
8004 |
101.2 |
-15.2 |
0.769 |
2 |
0 |
0 |
0.162 |
| 8 |
13 |
|
[SO4]C:204 |
5 |
1 |
186 |
f |
C |
x,y,z |
1_555 |
11 |
4 |
8004 |
91.4 |
-13.5 |
0.599 |
1 |
0 |
0 |
0.140 |
| 9 |
14 |
|
[SO4]C:202 |
5 |
1 |
187 |
f |
C |
x,y,z |
1_555 |
9 |
4 |
8004 |
88.0 |
-11.6 |
0.914 |
2 |
0 |
0 |
0.125 |
| 10 |
15 |
|
B |
15 |
6 |
5749 |
◊ |
C |
y,x,-z |
11_555 |
15 |
6 |
8004 |
84.6 |
-0.4 |
0.615 |
0 |
0 |
0 |
0.000 |
| 11 |
16 |
|
[SO4]C:201 |
5 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
14 |
6 |
8004 |
81.2 |
-12.3 |
0.740 |
2 |
0 |
0 |
0.133 |
| 12 |
17 |
|
[SO4]A:201 |
5 |
1 |
187 |
f |
A |
x,y,z |
1_555 |
14 |
6 |
7909 |
78.9 |
-11.8 |
0.724 |
3 |
0 |
0 |
0.324 |
| 13 |
18 |
|
[SO4]A:201 |
5 |
1 |
187 |
◊ |
B |
x,y,z |
1_555 |
13 |
6 |
5749 |
77.4 |
-9.6 |
0.766 |
1 |
0 |
0 |
0.248 |
| 14 |
19 |
|
[SO4]C:201 |
5 |
1 |
185 |
◊ |
D |
x,y,z |
1_555 |
14 |
6 |
5634 |
76.2 |
-9.2 |
0.776 |
2 |
0 |
0 |
0.101 |
| 15 |
20 |
|
[SO4]D:201 |
4 |
1 |
187 |
f |
C |
y,x,-z |
11_555 |
11 |
4 |
8004 |
71.8 |
-10.5 |
0.734 |
2 |
0 |
0 |
0.114 |
| 16 |
21 |
|
[SO4]D:201 |
5 |
1 |
187 |
◊ |
D |
x,y,z |
1_555 |
7 |
4 |
5634 |
63.4 |
-7.3 |
0.952 |
1 |
0 |
0 |
0.070 |
| 17 |
22 |
|
D |
6 |
2 |
5634 |
◊ |
D |
y,x,-z |
11_555 |
6 |
2 |
5634 |
54.8 |
-1.0 |
0.395 |
0 |
0 |
0 |
0.004 |
23 |
|
B |
5 |
2 |
5749 |
◊ |
B |
x,x-y,-z+1/2 |
12_555 |
5 |
2 |
5749 |
20.9 |
-0.4 |
0.503 |
0 |
0 |
0 |
0.004 |
| Average: |
37.9 |
-0.7 |
0.449 |
0 |
0 |
0 |
0.004 |
| 18 |
24 |
|
[SO4]C:203 |
4 |
1 |
186 |
◊ |
D |
x,y,z |
1_555 |
3 |
3 |
5634 |
37.5 |
-4.5 |
0.503 |
0 |
0 |
0 |
0.045 |
| 19 |
25 |
|
[SO4]D:201 |
3 |
1 |
187 |
◊ |
B |
x,y,z |
1_555 |
6 |
1 |
5749 |
13.2 |
-1.8 |
0.722 |
0 |
0 |
0 |
0.000 |
|