| ## |
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 |
162 |
42 |
8563 |
◊ |
A |
x,y,z |
1_555 |
162 |
43 |
8562 |
1431.1 |
-17.1 |
0.364 |
20 |
2 |
0 |
0.138 |
| 2 |
2 |
|
A |
52 |
17 |
8562 |
x |
A |
-y,x-y-1,z+1/3 |
2_545 |
47 |
11 |
8562 |
447.3 |
-5.1 |
0.427 |
4 |
0 |
0 |
0.000 |
3 |
|
B |
49 |
12 |
8563 |
x |
B |
-y-1,x-y-1,z+1/3 |
2_445 |
53 |
17 |
8563 |
437.0 |
-5.5 |
0.371 |
5 |
2 |
0 |
0.000 |
| Average: |
442.2 |
-5.3 |
0.399 |
5 |
1 |
0 |
0.000 |
| 3 |
4 |
|
A |
21 |
10 |
8562 |
◊ |
B |
-y,x-y-1,z+1/3 |
2_545 |
25 |
8 |
8563 |
239.8 |
-3.2 |
0.300 |
1 |
0 |
0 |
0.000 |
5 |
|
A |
23 |
7 |
8562 |
◊ |
B |
-y-1,x-y-1,z+1/3 |
2_445 |
21 |
10 |
8563 |
236.7 |
-3.3 |
0.299 |
1 |
0 |
0 |
0.000 |
| Average: |
238.3 |
-3.2 |
0.300 |
1 |
0 |
0 |
0.000 |
| 4 |
6 |
|
Y |
20 |
6 |
1022 |
◊ |
B |
x,y,z |
1_555 |
28 |
7 |
8563 |
224.3 |
-0.4 |
0.758 |
7 |
1 |
0 |
0.036 |
7 |
|
X |
21 |
5 |
1032 |
◊ |
A |
x,y,z |
1_555 |
25 |
7 |
8562 |
222.6 |
-0.6 |
0.726 |
7 |
1 |
0 |
0.036 |
| Average: |
223.4 |
-0.5 |
0.742 |
7 |
1 |
0 |
0.036 |
| 5 |
8 |
|
X |
17 |
4 |
1032 |
◊ |
B |
x,y,z |
1_555 |
28 |
9 |
8563 |
201.8 |
-3.5 |
0.373 |
1 |
0 |
0 |
0.037 |
9 |
|
Y |
17 |
4 |
1022 |
◊ |
A |
x,y,z |
1_555 |
28 |
10 |
8562 |
197.4 |
-3.4 |
0.399 |
1 |
0 |
0 |
0.037 |
| Average: |
199.6 |
-3.5 |
0.386 |
1 |
0 |
0 |
0.037 |
| 6 |
10 |
|
B |
12 |
4 |
8563 |
◊ |
A |
-y-1,x-y-1,z-2/3 |
2_444 |
12 |
4 |
8562 |
101.0 |
-1.2 |
0.416 |
0 |
0 |
0 |
0.000 |
11 |
|
B |
12 |
4 |
8563 |
◊ |
A |
-y,x-y-1,z-2/3 |
2_544 |
9 |
3 |
8562 |
89.5 |
-1.5 |
0.329 |
0 |
0 |
0 |
0.000 |
| Average: |
95.3 |
-1.4 |
0.373 |
0 |
0 |
0 |
0.000 |
| 7 |
12 |
|
[SO4]A:4 |
5 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
15 |
7 |
8562 |
100.7 |
-13.8 |
0.835 |
3 |
0 |
0 |
0.079 |
| 8 |
13 |
|
[SO4]B:3 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
15 |
7 |
8563 |
100.4 |
-14.1 |
0.807 |
2 |
0 |
0 |
0.079 |
| 9 |
14 |
|
[SO4]B:8 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
19 |
7 |
8563 |
95.6 |
-14.5 |
0.765 |
2 |
0 |
0 |
0.081 |
| 10 |
15 |
|
[SO4]A:7 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
19 |
7 |
8562 |
94.9 |
-14.6 |
0.763 |
0 |
0 |
0 |
0.077 |
| 11 |
16 |
|
[SO4]B:1 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
13 |
6 |
8563 |
83.1 |
-11.5 |
0.903 |
4 |
0 |
0 |
0.070 |
| 12 |
17 |
|
[SO4]A:2 |
5 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
13 |
6 |
8562 |
83.0 |
-11.8 |
0.911 |
5 |
0 |
0 |
0.074 |
| 13 |
18 |
|
[SO4]B:6 |
5 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
13 |
5 |
8563 |
81.6 |
-11.8 |
0.843 |
5 |
0 |
0 |
0.074 |
| 14 |
19 |
|
[SO4]A:5 |
5 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
14 |
5 |
8562 |
80.9 |
-11.8 |
0.841 |
5 |
0 |
0 |
0.074 |
| 15 |
20 |
|
X |
6 |
3 |
1032 |
◊ |
B |
-y-1,x-y-1,z+1/3 |
2_445 |
9 |
3 |
8563 |
77.6 |
-1.9 |
0.297 |
0 |
0 |
0 |
0.000 |
21 |
|
A |
7 |
3 |
8562 |
◊ |
Y |
-y,x-y-1,z+1/3 |
2_545 |
4 |
2 |
1022 |
61.7 |
-1.9 |
0.204 |
0 |
0 |
0 |
0.000 |
| Average: |
69.7 |
-1.9 |
0.250 |
0 |
0 |
0 |
0.000 |
| 16 |
22 |
|
[CL]A:3 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
9 |
5 |
8562 |
60.5 |
-8.8 |
0.000 |
0 |
0 |
0 |
0.047 |
| 17 |
23 |
|
[CL]B:213 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
12 |
5 |
8562 |
57.4 |
-7.2 |
0.000 |
0 |
0 |
0 |
0.075 |
24 |
|
[CL]A:213 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
13 |
5 |
8563 |
56.4 |
-7.1 |
0.000 |
0 |
0 |
0 |
0.075 |
| Average: |
56.9 |
-7.1 |
0.000 |
0 |
0 |
0 |
0.075 |
| 18 |
25 |
|
[CL]A:213 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
12 |
5 |
8562 |
46.8 |
-5.9 |
0.000 |
0 |
0 |
0 |
0.061 |
26 |
|
[CL]B:213 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
12 |
5 |
8563 |
46.2 |
-5.8 |
0.000 |
0 |
0 |
0 |
0.061 |
| Average: |
46.5 |
-5.8 |
0.000 |
0 |
0 |
0 |
0.061 |
| 19 |
27 |
|
B |
4 |
2 |
8563 |
◊ |
[SO4]B:1 |
-y-1,x-y-1,z+1/3 |
2_445 |
4 |
1 |
185 |
40.8 |
-5.1 |
0.649 |
0 |
0 |
0 |
0.000 |
| 20 |
28 |
|
[SO4]A:7 |
4 |
1 |
186 |
◊ |
B |
x,y,z |
1_555 |
8 |
4 |
8563 |
38.4 |
-3.9 |
0.941 |
2 |
0 |
0 |
0.025 |
| 21 |
29 |
|
[SO4]B:8 |
4 |
1 |
186 |
◊ |
A |
x,y,z |
1_555 |
6 |
4 |
8562 |
36.9 |
-3.7 |
0.948 |
2 |
0 |
0 |
0.024 |
| 22 |
30 |
|
[SO4]A:2 |
4 |
1 |
184 |
◊ |
A |
-y,x-y-1,z+1/3 |
2_545 |
5 |
2 |
8562 |
36.4 |
-4.8 |
0.676 |
0 |
0 |
0 |
0.000 |
| 23 |
31 |
|
[CL]A:3 |
1 |
1 |
125 |
◊ |
B |
-y,x-y-1,z+1/3 |
2_545 |
4 |
1 |
8563 |
22.8 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.000 |
| 24 |
32 |
|
[SO4]B:8 |
1 |
1 |
186 |
◊ |
[SO4]A:7 |
x,y,z |
1_555 |
1 |
1 |
186 |
17.3 |
-4.2 |
0.800 |
0 |
0 |
0 |
0.022 |
| 25 |
33 |
|
[SO4]B:6 |
1 |
1 |
184 |
◊ |
X |
x,y,z |
1_555 |
2 |
1 |
1032 |
11.4 |
-1.6 |
0.610 |
0 |
0 |
0 |
0.008 |
| 26 |
34 |
|
[SO4]A:5 |
1 |
1 |
183 |
◊ |
Y |
x,y,z |
1_555 |
2 |
1 |
1022 |
10.7 |
-1.5 |
0.639 |
0 |
0 |
0 |
0.007 |
| 27 |
35 |
|
[SO4]A:5 |
3 |
1 |
183 |
◊ |
B |
-y,x-y-1,z+1/3 |
2_545 |
3 |
2 |
8563 |
10.5 |
-1.2 |
0.783 |
0 |
0 |
0 |
0.000 |
| 28 |
36 |
|
A |
1 |
1 |
8562 |
◊ |
X |
-y-1,x-y-1,z+1/3 |
2_445 |
1 |
1 |
1032 |
5.9 |
0.3 |
0.812 |
0 |
0 |
0 |
0.000 |
| 29 |
37 |
|
A |
3 |
2 |
8562 |
◊ |
[SO4]B:6 |
-y-1,x-y-1,z+1/3 |
2_445 |
1 |
1 |
184 |
5.2 |
-0.6 |
0.749 |
0 |
0 |
0 |
0.000 |
|