## |
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 |
114 |
31 |
10946 |
◊ |
A |
x,y,z |
1_555 |
116 |
33 |
10977 |
1133.7 |
-12.0 |
0.056 |
16 |
0 |
0 |
0.000 |
2 |
2 |
|
B |
31 |
9 |
10946 |
x |
B |
-y+1,x-y,z-1/3 |
2_654 |
36 |
13 |
10946 |
286.2 |
-2.9 |
0.264 |
1 |
0 |
0 |
0.000 |
3 |
|
A |
37 |
14 |
10977 |
x |
A |
-y+2,x-y,z-1/3 |
2_754 |
33 |
10 |
10977 |
284.8 |
-2.3 |
0.271 |
2 |
0 |
0 |
0.000 |
Average: |
285.5 |
-2.6 |
0.267 |
2 |
0 |
0 |
0.000 |
3 |
4 |
|
A |
17 |
5 |
10977 |
◊ |
B |
-y+2,x-y,z-1/3 |
2_754 |
16 |
4 |
10946 |
116.8 |
0.4 |
0.543 |
0 |
1 |
0 |
0.000 |
5 |
|
A |
14 |
4 |
10977 |
◊ |
B |
-y+1,x-y,z-1/3 |
2_654 |
13 |
4 |
10946 |
104.8 |
0.1 |
0.485 |
0 |
0 |
0 |
0.000 |
Average: |
110.8 |
0.2 |
0.514 |
0 |
1 |
0 |
0.000 |
4 |
6 |
|
[PEG]B:306 |
6 |
1 |
254 |
f |
B |
x,y,z |
1_555 |
20 |
8 |
10946 |
104.1 |
1.4 |
0.238 |
1 |
0 |
0 |
0.000 |
5 |
7 |
|
[PEG]B:305 |
7 |
1 |
251 |
◊ |
B |
x,y,z |
1_555 |
14 |
5 |
10946 |
93.9 |
2.5 |
0.241 |
2 |
0 |
0 |
0.000 |
6 |
8 |
|
[SO4]A:901 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
16 |
10 |
10977 |
92.3 |
-14.5 |
0.822 |
4 |
0 |
0 |
0.041 |
7 |
9 |
|
[SO4]B:302 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
17 |
9 |
10946 |
91.7 |
-14.2 |
0.832 |
4 |
0 |
0 |
0.040 |
8 |
10 |
|
[PEG]A:904 |
7 |
1 |
244 |
f |
A |
x,y,z |
1_555 |
14 |
4 |
10977 |
82.8 |
2.5 |
0.315 |
1 |
0 |
0 |
0.000 |
9 |
11 |
|
[IPA]B:307 |
4 |
1 |
197 |
f |
B |
x,y,z |
1_555 |
12 |
5 |
10946 |
71.5 |
1.4 |
0.209 |
2 |
0 |
0 |
0.000 |
12 |
|
[IPA]B:301 |
4 |
1 |
199 |
f |
A |
x,y,z |
1_555 |
13 |
5 |
10977 |
71.1 |
1.3 |
0.143 |
2 |
0 |
0 |
0.000 |
Average: |
71.3 |
1.4 |
0.176 |
2 |
0 |
0 |
0.000 |
10 |
13 |
|
[IPA]B:301 |
2 |
1 |
199 |
◊ |
B |
x,y,z |
1_555 |
7 |
2 |
10946 |
68.0 |
3.7 |
0.941 |
0 |
0 |
0 |
0.000 |
11 |
14 |
|
[IPA]B:307 |
3 |
1 |
197 |
◊ |
A |
x,y,z |
1_555 |
5 |
2 |
10977 |
64.8 |
3.9 |
0.345 |
0 |
0 |
0 |
0.000 |
12 |
15 |
|
[MG]B:304 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
13 |
7 |
10946 |
42.5 |
-6.1 |
0.000 |
0 |
0 |
0 |
0.015 |
16 |
|
[MG]A:903 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
9 |
5 |
10977 |
41.5 |
-6.0 |
0.000 |
0 |
0 |
0 |
0.015 |
Average: |
42.0 |
-6.1 |
0.000 |
0 |
0 |
0 |
0.015 |
13 |
17 |
|
[MG]B:303 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
4 |
4 |
10946 |
41.7 |
-8.3 |
0.000 |
0 |
0 |
0 |
0.021 |
18 |
|
[MG]A:902 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
2 |
2 |
10977 |
41.4 |
-8.3 |
0.000 |
0 |
0 |
0 |
0.021 |
Average: |
41.5 |
-8.3 |
0.000 |
0 |
0 |
0 |
0.021 |
14 |
19 |
|
[IPA]B:307 |
3 |
1 |
197 |
f |
[SO4]B:302 |
x,y,z |
1_555 |
4 |
1 |
186 |
28.9 |
-2.3 |
0.999 |
1 |
0 |
0 |
0.007 |
15 |
20 |
|
[IPA]B:301 |
3 |
1 |
199 |
f |
[SO4]A:901 |
x,y,z |
1_555 |
4 |
1 |
185 |
26.8 |
-2.2 |
0.999 |
1 |
0 |
0 |
0.007 |
16 |
21 |
|
[MG]B:304 |
1 |
1 |
98 |
f |
[SO4]B:302 |
x,y,z |
1_555 |
2 |
1 |
186 |
25.8 |
-5.7 |
0.000 |
0 |
0 |
0 |
0.015 |
22 |
|
[MG]B:303 |
1 |
1 |
98 |
f |
[SO4]B:302 |
x,y,z |
1_555 |
1 |
1 |
186 |
1.0 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.015 |
Average: |
13.4 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.015 |
17 |
23 |
|
[PEG]B:305 |
2 |
1 |
251 |
f |
A |
x,y,z |
1_555 |
5 |
2 |
10977 |
24.7 |
-0.6 |
0.219 |
0 |
0 |
0 |
0.002 |
18 |
24 |
|
[MG]A:903 |
1 |
1 |
98 |
f |
[SO4]A:901 |
x,y,z |
1_555 |
2 |
1 |
185 |
24.4 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.014 |
19 |
25 |
|
[MG]A:903 |
1 |
1 |
98 |
f |
[MG]A:902 |
x,y,z |
1_555 |
1 |
1 |
98 |
14.3 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.007 |
20 |
26 |
|
[MG]B:304 |
1 |
1 |
98 |
f |
[MG]B:303 |
x,y,z |
1_555 |
1 |
1 |
98 |
13.0 |
-2.6 |
0.000 |
0 |
0 |
0 |
0.006 |
21 |
27 |
|
[IPA]B:307 |
1 |
1 |
197 |
f |
[MG]B:304 |
x,y,z |
1_555 |
1 |
1 |
98 |
0.8 |
-0.0 |
0.000 |
0 |
0 |
0 |
0.000 |
22 |
28 |
|
[MG]A:902 |
1 |
1 |
98 |
f |
[SO4]A:901 |
x,y,z |
1_555 |
1 |
1 |
185 |
0.1 |
-0.0 |
0.000 |
0 |
0 |
0 |
0.000 |
|