## |
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 |
|
[MH0]B:303 |
38 |
1 |
750 |
f |
B |
x,y,z |
1_555 |
62 |
19 |
7104 |
459.4 |
-16.7 |
0.178 |
0 |
0 |
0 |
0.027 |
2 |
|
[MH0]A:201 |
39 |
1 |
756 |
cf |
A |
x,y,z |
1_555 |
62 |
18 |
7277 |
453.3 |
-15.6 |
0.239 |
0 |
0 |
0 |
0.027 |
Average: |
456.4 |
-16.1 |
0.209 |
0 |
0 |
0 |
0.027 |
2 |
3 |
|
B |
46 |
13 |
7104 |
◊ |
A |
x,y,z |
1_555 |
49 |
14 |
7277 |
394.0 |
1.6 |
0.834 |
1 |
3 |
0 |
0.000 |
3 |
4 |
|
A |
30 |
9 |
7277 |
◊ |
B |
-x-1,y-1/2,-z+1/2 |
3_445 |
39 |
14 |
7104 |
296.9 |
-2.5 |
0.439 |
2 |
0 |
0 |
0.000 |
5 |
|
B |
30 |
9 |
7104 |
◊ |
A |
-x-1/2,-y,z-1/2 |
2_454 |
39 |
14 |
7277 |
295.9 |
-2.5 |
0.438 |
2 |
0 |
0 |
0.000 |
Average: |
296.4 |
-2.5 |
0.439 |
2 |
0 |
0 |
0.000 |
4 |
6 |
|
B |
23 |
7 |
7104 |
◊ |
A |
x-1/2,-y-1/2,-z |
4_445 |
23 |
7 |
7277 |
227.6 |
-2.3 |
0.365 |
4 |
5 |
0 |
0.000 |
5 |
7 |
|
B |
20 |
8 |
7104 |
◊ |
A |
-x-1,y-1/2,-z+1/2 |
3_445 |
16 |
6 |
7277 |
191.7 |
-1.3 |
0.438 |
2 |
0 |
0 |
0.000 |
8 |
|
A |
17 |
8 |
7277 |
◊ |
B |
-x-1/2,-y,z-1/2 |
2_454 |
16 |
6 |
7104 |
157.9 |
-1.9 |
0.329 |
1 |
0 |
0 |
0.000 |
Average: |
174.8 |
-1.6 |
0.384 |
2 |
0 |
0 |
0.000 |
6 |
9 |
|
A |
15 |
5 |
7277 |
x |
A |
-x-1/2,-y,z-1/2 |
2_454 |
21 |
5 |
7277 |
188.4 |
-1.3 |
0.460 |
1 |
0 |
0 |
0.000 |
10 |
|
B |
18 |
5 |
7104 |
x |
B |
-x-1,y-1/2,-z+1/2 |
3_445 |
21 |
5 |
7104 |
188.1 |
-1.4 |
0.447 |
1 |
0 |
0 |
0.000 |
Average: |
188.2 |
-1.4 |
0.453 |
1 |
0 |
0 |
0.000 |
7 |
11 |
|
[T6C]B:302 |
10 |
1 |
317 |
f |
B |
x,y,z |
1_555 |
24 |
9 |
7104 |
166.5 |
-11.4 |
0.458 |
2 |
0 |
0 |
0.020 |
8 |
12 |
|
[T6C]A:204 |
10 |
1 |
316 |
f |
A |
x,y,z |
1_555 |
22 |
9 |
7277 |
165.1 |
-11.2 |
0.449 |
2 |
0 |
0 |
0.021 |
9 |
13 |
|
A |
12 |
5 |
7277 |
x |
A |
-x,y-1/2,-z+1/2 |
3_545 |
13 |
4 |
7277 |
119.6 |
2.1 |
0.792 |
3 |
1 |
0 |
0.000 |
14 |
|
B |
14 |
5 |
7104 |
x |
B |
-x-3/2,-y,z-1/2 |
2_354 |
12 |
5 |
7104 |
105.5 |
0.6 |
0.510 |
1 |
0 |
0 |
0.000 |
Average: |
112.6 |
1.3 |
0.651 |
2 |
1 |
0 |
0.000 |
10 |
15 |
|
[EDO]A:202 |
4 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
18 |
7 |
7277 |
105.1 |
3.2 |
0.473 |
3 |
0 |
0 |
0.000 |
11 |
16 |
|
[EDO]B:301 |
4 |
1 |
183 |
◊ |
B |
x,y,z |
1_555 |
18 |
7 |
7104 |
104.8 |
3.2 |
0.465 |
3 |
0 |
0 |
0.000 |
12 |
17 |
|
[EDO]A:203 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
16 |
6 |
7277 |
93.7 |
2.1 |
0.261 |
3 |
0 |
0 |
0.000 |
13 |
18 |
|
[T6C]B:302 |
5 |
1 |
317 |
f |
[MH0]B:303 |
x,y,z |
1_555 |
22 |
1 |
750 |
91.1 |
-9.8 |
0.686 |
0 |
0 |
0 |
0.016 |
14 |
19 |
|
[T6C]A:204 |
5 |
1 |
316 |
f |
[MH0]A:201 |
x,y,z |
1_555 |
21 |
1 |
756 |
90.7 |
-9.9 |
0.686 |
0 |
0 |
0 |
0.017 |
15 |
20 |
|
[EDO]A:205 |
4 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
17 |
6 |
7277 |
86.2 |
2.9 |
0.486 |
1 |
0 |
0 |
0.000 |
16 |
21 |
|
[SO4]A:208 |
4 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
9 |
5 |
7277 |
84.2 |
-11.0 |
0.801 |
2 |
0 |
0 |
0.021 |
17 |
22 |
|
[SO4]B:304 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
9 |
4 |
7104 |
78.0 |
-11.3 |
0.785 |
2 |
0 |
0 |
0.020 |
18 |
23 |
|
B |
12 |
6 |
7104 |
f |
[SO4]A:207 |
-x-1/2,-y,z-1/2 |
2_454 |
4 |
1 |
185 |
72.2 |
-11.2 |
0.666 |
2 |
0 |
0 |
0.019 |
19 |
24 |
|
[SO4]A:207 |
5 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
13 |
5 |
7277 |
72.0 |
-10.3 |
0.779 |
2 |
0 |
0 |
0.000 |
20 |
25 |
|
[SO4]A:206 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
11 |
6 |
7277 |
71.4 |
-11.2 |
0.657 |
2 |
0 |
0 |
0.021 |
21 |
26 |
|
[SO4]A:206 |
5 |
1 |
184 |
◊ |
B |
-x-1,y-1/2,-z+1/2 |
3_445 |
12 |
5 |
7104 |
70.4 |
-10.1 |
0.778 |
2 |
0 |
0 |
0.000 |
22 |
27 |
|
B |
7 |
2 |
7104 |
◊ |
A |
x-1,y,z |
1_455 |
7 |
3 |
7277 |
65.1 |
0.2 |
0.662 |
0 |
0 |
0 |
0.000 |
23 |
28 |
|
B |
4 |
2 |
7104 |
◊ |
[EDO]A:203 |
x-1/2,-y-1/2,-z |
4_445 |
2 |
1 |
183 |
46.7 |
1.2 |
0.391 |
0 |
0 |
0 |
0.000 |
24 |
29 |
|
[SO4]B:304 |
4 |
1 |
185 |
◊ |
B |
-x-1,y-1/2,-z+1/2 |
3_445 |
7 |
3 |
7104 |
40.3 |
-5.0 |
0.545 |
0 |
0 |
0 |
0.000 |
25 |
30 |
|
[SO4]A:208 |
4 |
1 |
186 |
◊ |
A |
-x-1/2,-y,z-1/2 |
2_454 |
6 |
3 |
7277 |
39.1 |
-4.7 |
0.532 |
0 |
0 |
0 |
0.000 |
26 |
31 |
|
[SO4]A:208 |
4 |
1 |
186 |
◊ |
B |
x,y,z |
1_555 |
6 |
3 |
7104 |
38.3 |
-4.8 |
0.623 |
0 |
0 |
0 |
0.000 |
27 |
32 |
|
[SO4]B:304 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
6 |
3 |
7277 |
37.1 |
-4.8 |
0.638 |
0 |
0 |
0 |
0.000 |
28 |
33 |
|
[EDO]B:301 |
2 |
1 |
183 |
f |
A |
-x-1/2,-y,z-1/2 |
2_454 |
4 |
2 |
7277 |
30.6 |
0.9 |
0.755 |
0 |
0 |
0 |
0.000 |
29 |
34 |
|
[EDO]A:202 |
2 |
1 |
184 |
f |
B |
-x-1,y-1/2,-z+1/2 |
3_445 |
4 |
2 |
7104 |
29.5 |
0.8 |
0.752 |
0 |
0 |
0 |
0.000 |
|