## |
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 |
85 |
25 |
5836 |
x |
A |
x,y,z |
1_555 |
63 |
21 |
6014 |
732.1 |
-6.0 |
0.397 |
7 |
7 |
0 |
0.880 |
2 |
|
D |
66 |
21 |
7098 |
x |
D |
-y,z-1/2,-x+1/2 |
10_545 |
81 |
22 |
7098 |
702.8 |
-6.5 |
0.378 |
8 |
5 |
0 |
0.880 |
3 |
|
C |
66 |
20 |
5803 |
x |
A |
x,y,z |
1_555 |
82 |
24 |
6014 |
695.0 |
-7.3 |
0.272 |
5 |
5 |
0 |
0.880 |
4 |
|
C |
81 |
22 |
5803 |
x |
B |
x,y,z |
1_555 |
61 |
20 |
5836 |
668.7 |
-6.8 |
0.302 |
6 |
5 |
0 |
0.880 |
Average: |
699.7 |
-6.7 |
0.337 |
7 |
6 |
0 |
0.880 |
2 |
5 |
|
D |
41 |
11 |
7098 |
◊ |
C |
x,-y,-z+1/2 |
16_555 |
42 |
14 |
5803 |
394.5 |
-1.5 |
0.517 |
6 |
3 |
0 |
0.000 |
3 |
6 |
|
D |
39 |
14 |
7098 |
◊ |
C |
z,-x,-y+1/2 |
18_555 |
26 |
6 |
5803 |
256.5 |
-1.0 |
0.617 |
2 |
0 |
0 |
0.000 |
4 |
7 |
|
B |
25 |
8 |
5836 |
◊ |
B |
-x,-y+1/2,z |
14_555 |
25 |
8 |
5836 |
243.9 |
-2.9 |
0.357 |
2 |
0 |
0 |
0.000 |
5 |
8 |
|
D |
25 |
9 |
7098 |
x |
A |
x,y,z |
1_555 |
28 |
10 |
6014 |
231.0 |
-1.4 |
0.568 |
1 |
0 |
0 |
0.116 |
9 |
|
B |
20 |
9 |
5836 |
x |
B |
-y,z-1/2,-x+1/2 |
10_545 |
31 |
11 |
5836 |
226.9 |
-2.0 |
0.478 |
1 |
0 |
0 |
0.116 |
10 |
|
C |
24 |
9 |
5803 |
x |
A |
-y,z-1/2,-x+1/2 |
10_545 |
24 |
8 |
6014 |
219.5 |
-2.0 |
0.404 |
0 |
0 |
0 |
0.116 |
11 |
|
C |
21 |
9 |
5803 |
x |
D |
-y,z-1/2,-x+1/2 |
10_545 |
24 |
9 |
7098 |
200.5 |
-2.2 |
0.399 |
0 |
0 |
0 |
0.116 |
Average: |
219.5 |
-1.9 |
0.462 |
1 |
0 |
0 |
0.116 |
6 |
12 |
|
[PE8]C:1345 |
16 |
1 |
535 |
◊ |
C |
x,y,z |
1_555 |
28 |
8 |
5803 |
198.0 |
2.2 |
0.519 |
1 |
0 |
0 |
0.000 |
13 |
|
B |
29 |
8 |
5836 |
◊ |
[PE8]A:1345 |
-y,z-1/2,-x+1/2 |
10_545 |
17 |
1 |
552 |
192.8 |
2.1 |
0.596 |
0 |
0 |
0 |
0.000 |
Average: |
195.4 |
2.1 |
0.558 |
1 |
0 |
0 |
0.000 |
7 |
14 |
|
[PE8]A:1345 |
17 |
1 |
552 |
f |
A |
x,y,z |
1_555 |
27 |
8 |
6014 |
196.9 |
-2.0 |
0.288 |
0 |
0 |
0 |
0.172 |
15 |
|
[PE8]C:1345 |
16 |
1 |
535 |
f |
D |
x,y,z |
1_555 |
27 |
8 |
7098 |
192.1 |
-2.1 |
0.188 |
0 |
0 |
0 |
0.172 |
Average: |
194.5 |
-2.1 |
0.238 |
0 |
0 |
0 |
0.172 |
8 |
16 |
|
B |
15 |
5 |
5836 |
◊ |
A |
-x,-y+1/2,z |
14_555 |
6 |
3 |
6014 |
92.9 |
-0.2 |
0.612 |
1 |
1 |
0 |
0.000 |
9 |
17 |
|
D |
10 |
6 |
7098 |
◊ |
C |
x,y,z |
1_555 |
10 |
6 |
5803 |
92.0 |
4.1 |
0.969 |
2 |
2 |
0 |
0.000 |
18 |
|
B |
9 |
5 |
5836 |
◊ |
A |
-y,z-1/2,-x+1/2 |
10_545 |
10 |
5 |
6014 |
84.9 |
4.0 |
0.974 |
2 |
2 |
0 |
0.000 |
Average: |
88.4 |
4.1 |
0.971 |
2 |
2 |
0 |
0.000 |
10 |
19 |
|
D |
14 |
5 |
7098 |
◊ |
D |
-x+1/2,y,-z+1 |
15_556 |
14 |
5 |
7098 |
87.6 |
-0.1 |
0.651 |
0 |
0 |
0 |
0.000 |
11 |
20 |
|
[SO4]B:1345 |
5 |
1 |
186 |
fx |
[SO4]B:1345 |
-y,z-1/2,-x+1/2 |
10_545 |
5 |
1 |
186 |
72.6 |
-15.3 |
0.993 |
0 |
0 |
0 |
0.495 |
12 |
21 |
|
C |
8 |
3 |
5803 |
◊ |
[PE8]A:1345 |
-y,z-1/2,-x+1/2 |
10_545 |
5 |
1 |
552 |
60.1 |
1.0 |
0.526 |
1 |
0 |
0 |
0.000 |
22 |
|
[PE8]C:1345 |
4 |
1 |
535 |
◊ |
A |
x,y,z |
1_555 |
7 |
3 |
6014 |
56.7 |
0.8 |
0.504 |
0 |
0 |
0 |
0.000 |
Average: |
58.4 |
0.9 |
0.515 |
1 |
0 |
0 |
0.000 |
13 |
23 |
|
[PE8]A:1345 |
4 |
1 |
552 |
◊ |
B |
x,y,z |
1_555 |
8 |
3 |
5836 |
56.8 |
-1.4 |
0.271 |
1 |
0 |
0 |
0.033 |
24 |
|
[PE8]C:1345 |
5 |
1 |
535 |
◊ |
D |
-y,z-1/2,-x+1/2 |
10_545 |
8 |
3 |
7098 |
50.3 |
0.6 |
0.481 |
0 |
0 |
0 |
0.033 |
Average: |
53.6 |
-0.4 |
0.376 |
1 |
0 |
0 |
0.033 |
14 |
25 |
|
[SO4]C:1346 |
4 |
1 |
184 |
f |
C |
x,y,z |
1_555 |
8 |
2 |
5803 |
51.5 |
-5.0 |
0.916 |
2 |
0 |
0 |
0.115 |
15 |
26 |
|
[SO4]C:1346 |
4 |
1 |
184 |
◊ |
A |
-y,z-1/2,-x+1/2 |
10_545 |
7 |
2 |
6014 |
50.1 |
-5.4 |
0.920 |
2 |
0 |
0 |
0.122 |
16 |
27 |
|
[SO4]C:1347 |
4 |
1 |
184 |
cf |
[SO4]C:1346 |
x,y,z |
1_555 |
4 |
1 |
184 |
47.6 |
-10.8 |
0.973 |
0 |
0 |
0 |
0.208 |
17 |
28 |
|
[SO4]C:1347 |
3 |
1 |
184 |
f |
C |
x,y,z |
1_555 |
4 |
1 |
5803 |
42.4 |
-4.2 |
0.958 |
2 |
0 |
0 |
0.099 |
18 |
29 |
|
[SO4]C:1347 |
3 |
1 |
184 |
◊ |
A |
-y,z-1/2,-x+1/2 |
10_545 |
4 |
1 |
6014 |
41.1 |
-4.5 |
0.962 |
2 |
0 |
0 |
0.103 |
19 |
30 |
|
[SO4]C:1346 |
4 |
1 |
184 |
◊ |
D |
-y,z-1/2,-x+1/2 |
10_545 |
6 |
2 |
7098 |
40.2 |
-5.0 |
0.624 |
0 |
0 |
0 |
0.096 |
20 |
31 |
|
[SO4]B:1345 |
4 |
1 |
186 |
◊ |
B |
-y,z-1/2,-x+1/2 |
10_545 |
3 |
1 |
5836 |
39.1 |
-4.2 |
0.898 |
1 |
0 |
0 |
0.150 |
21 |
32 |
|
[SO4]C:1347 |
4 |
1 |
184 |
◊ |
D |
-y,z-1/2,-x+1/2 |
10_545 |
3 |
1 |
7098 |
37.4 |
-4.2 |
0.888 |
1 |
0 |
0 |
0.090 |
22 |
33 |
|
B |
3 |
1 |
5836 |
◊ |
[SO4]B:1345 |
-y,z-1/2,-x+1/2 |
10_545 |
4 |
1 |
186 |
36.4 |
-3.9 |
0.903 |
1 |
0 |
0 |
0.142 |
23 |
34 |
|
[SO4]B:1345 |
4 |
1 |
186 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
5836 |
34.4 |
-3.8 |
0.907 |
1 |
0 |
0 |
0.136 |
24 |
35 |
|
D |
2 |
1 |
7098 |
◊ |
B |
x,-y,-z+1/2 |
16_555 |
4 |
2 |
5836 |
28.9 |
-1.3 |
0.088 |
0 |
0 |
0 |
0.000 |
25 |
36 |
|
A |
1 |
1 |
6014 |
◊ |
A |
-x,-y+1/2,z |
14_555 |
1 |
1 |
6014 |
7.0 |
-0.2 |
0.286 |
0 |
0 |
0 |
0.000 |
26 |
37 |
|
D |
1 |
1 |
7098 |
◊ |
D |
x,-y,-z+1/2 |
16_555 |
1 |
1 |
7098 |
4.3 |
0.3 |
0.852 |
0 |
0 |
0 |
0.000 |
27 |
38 |
|
D |
1 |
1 |
7098 |
◊ |
A |
-x+1/2,y,-z+1 |
15_556 |
1 |
1 |
6014 |
0.6 |
0.0 |
0.631 |
0 |
0 |
0 |
0.000 |
|