| ## |
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 |
173 |
46 |
9858 |
◊ |
B |
y,x,-z |
6_555 |
177 |
46 |
9858 |
1682.7 |
-25.2 |
0.214 |
22 |
0 |
0 |
1.000 |
2 |
|
C |
178 |
48 |
9819 |
◊ |
A |
y,x,-z |
6_555 |
178 |
46 |
9852 |
1600.6 |
-22.5 |
0.269 |
21 |
0 |
0 |
1.000 |
| Average: |
1641.6 |
-23.9 |
0.241 |
22 |
0 |
0 |
1.000 |
| 2 |
3 |
|
C |
95 |
30 |
9819 |
◊ |
A |
x,y,z |
1_555 |
86 |
24 |
9852 |
899.5 |
-8.4 |
0.568 |
11 |
2 |
0 |
0.450 |
4 |
|
C |
85 |
24 |
9819 |
◊ |
B |
x,y,z |
1_555 |
98 |
30 |
9858 |
898.9 |
-9.1 |
0.507 |
10 |
2 |
0 |
0.450 |
5 |
|
B |
85 |
24 |
9858 |
◊ |
A |
x,y,z |
1_555 |
91 |
29 |
9852 |
885.0 |
-7.6 |
0.612 |
9 |
1 |
0 |
0.450 |
| Average: |
894.4 |
-8.4 |
0.562 |
10 |
2 |
0 |
0.450 |
| 3 |
6 |
|
B |
29 |
8 |
9858 |
◊ |
C |
-y+1/2,x+1/2,z-1/4 |
2_554 |
32 |
8 |
9819 |
235.1 |
-3.1 |
0.501 |
2 |
0 |
0 |
0.000 |
| 4 |
7 |
|
[28Y]A:202 |
13 |
1 |
312 |
◊ |
A |
x,y,z |
1_555 |
19 |
9 |
9852 |
172.9 |
1.0 |
0.457 |
1 |
0 |
0 |
0.000 |
| 5 |
8 |
|
B |
12 |
3 |
9858 |
◊ |
A |
y,x,-z |
6_555 |
12 |
3 |
9852 |
133.3 |
-2.6 |
0.275 |
0 |
0 |
0 |
0.027 |
9 |
|
C |
12 |
3 |
9819 |
◊ |
C |
y,x,-z |
6_555 |
13 |
3 |
9819 |
119.3 |
-2.3 |
0.326 |
0 |
0 |
0 |
0.027 |
| Average: |
126.3 |
-2.5 |
0.301 |
0 |
0 |
0 |
0.027 |
| 6 |
10 |
|
[28Y]B:201 |
13 |
1 |
310 |
◊ |
C |
x,y,z |
1_555 |
19 |
8 |
9819 |
129.7 |
0.5 |
0.469 |
0 |
0 |
0 |
0.000 |
| 7 |
11 |
|
[28Y]B:202 |
13 |
1 |
311 |
f |
C |
x,y,z |
1_555 |
17 |
9 |
9819 |
123.6 |
-0.2 |
0.358 |
1 |
0 |
0 |
0.014 |
| 8 |
12 |
|
C |
15 |
5 |
9819 |
◊ |
B |
x-1/2,-y+1/2,-z+1/4 |
5_455 |
11 |
4 |
9858 |
113.3 |
-1.4 |
0.506 |
0 |
0 |
0 |
0.000 |
13 |
|
A |
9 |
4 |
9852 |
◊ |
B |
-x+1/2,y-1/2,-z-1/4 |
7_544 |
12 |
4 |
9858 |
99.7 |
-1.2 |
0.498 |
0 |
0 |
0 |
0.000 |
| Average: |
106.5 |
-1.3 |
0.502 |
0 |
0 |
0 |
0.000 |
| 9 |
14 |
|
[28Y]A:202 |
12 |
1 |
312 |
f |
C |
y,x,-z |
6_555 |
12 |
5 |
9819 |
105.0 |
-1.0 |
0.209 |
0 |
0 |
0 |
0.021 |
| 10 |
15 |
|
A |
12 |
4 |
9852 |
x |
A |
-x-1/2,y-1/2,-z-1/4 |
7_444 |
12 |
8 |
9852 |
100.6 |
-1.7 |
0.419 |
0 |
0 |
0 |
0.000 |
| 11 |
16 |
|
[28Y]B:202 |
12 |
1 |
311 |
◊ |
[28Y]B:201 |
x,y,z |
1_555 |
12 |
1 |
310 |
96.7 |
2.7 |
0.469 |
0 |
0 |
0 |
0.000 |
| 12 |
17 |
|
C |
8 |
3 |
9819 |
◊ |
B |
y,x,-z |
6_555 |
8 |
3 |
9858 |
90.4 |
-1.6 |
0.338 |
2 |
0 |
0 |
0.027 |
18 |
|
A |
9 |
3 |
9852 |
◊ |
A |
y,x,-z |
6_555 |
9 |
3 |
9852 |
89.8 |
-1.6 |
0.378 |
2 |
0 |
0 |
0.027 |
| Average: |
90.1 |
-1.6 |
0.358 |
2 |
0 |
0 |
0.027 |
| 13 |
19 |
|
[28Y]B:201 |
12 |
1 |
310 |
f |
A |
y,x,-z |
6_555 |
12 |
5 |
9852 |
81.3 |
-0.5 |
0.261 |
1 |
0 |
0 |
0.100 |
| 14 |
20 |
|
[28Y]B:202 |
11 |
1 |
311 |
◊ |
A |
y,x,-z |
6_555 |
13 |
5 |
9852 |
74.3 |
0.3 |
0.434 |
0 |
0 |
0 |
0.000 |
| 15 |
21 |
|
A |
9 |
2 |
9852 |
◊ |
B |
-x-1/2,y-1/2,-z-1/4 |
7_444 |
4 |
2 |
9858 |
73.5 |
-1.9 |
0.180 |
0 |
0 |
0 |
0.000 |
| 16 |
22 |
|
[SO4]A:201 |
5 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
11 |
5 |
9819 |
58.1 |
-7.6 |
0.669 |
0 |
0 |
0 |
0.158 |
| 17 |
23 |
|
[SO4]A:201 |
5 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
11 |
5 |
9858 |
55.2 |
-7.1 |
0.706 |
0 |
0 |
0 |
0.081 |
| 18 |
24 |
|
[SO4]A:201 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
10 |
5 |
9852 |
54.7 |
-7.1 |
0.639 |
0 |
0 |
0 |
0.082 |
| 19 |
25 |
|
[SO4]C:201 |
4 |
1 |
184 |
f |
C |
x,y,z |
1_555 |
7 |
5 |
9819 |
52.0 |
-6.6 |
0.881 |
1 |
0 |
0 |
0.147 |
| 20 |
26 |
|
[SO4]C:201 |
4 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
7 |
5 |
9852 |
50.5 |
-6.3 |
0.880 |
1 |
0 |
0 |
0.077 |
| 21 |
27 |
|
[SO4]C:201 |
4 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
7 |
5 |
9858 |
48.2 |
-5.9 |
0.895 |
2 |
0 |
0 |
0.078 |
| 22 |
28 |
|
[SO4]C:201 |
1 |
1 |
184 |
f |
[SO4]A:201 |
x,y,z |
1_555 |
1 |
1 |
185 |
12.3 |
-2.9 |
0.800 |
0 |
0 |
0 |
0.061 |
|