| ## |
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 |
|
H |
203 |
53 |
10005 |
◊ |
G |
x,y,z |
1_555 |
196 |
45 |
6163 |
2022.8 |
-35.3 |
0.014 |
20 |
10 |
0 |
1.000 |
2 |
|
B |
202 |
55 |
10042 |
◊ |
A |
x,y,z |
1_555 |
185 |
43 |
5780 |
1968.2 |
-30.5 |
0.028 |
21 |
14 |
0 |
1.000 |
3 |
|
D |
196 |
51 |
10089 |
◊ |
C |
x,y,z |
1_555 |
181 |
42 |
6000 |
1954.3 |
-33.3 |
0.021 |
21 |
14 |
0 |
1.000 |
4 |
|
F |
193 |
53 |
9914 |
◊ |
E |
x,y,z |
1_555 |
186 |
43 |
5625 |
1942.2 |
-33.6 |
0.030 |
20 |
12 |
0 |
1.000 |
| Average: |
1971.9 |
-33.2 |
0.023 |
21 |
13 |
0 |
1.000 |
| 2 |
5 |
|
H |
98 |
22 |
10005 |
◊ |
B |
x,y,z |
1_555 |
88 |
21 |
10042 |
773.3 |
-3.6 |
0.571 |
9 |
4 |
0 |
0.234 |
6 |
|
F |
89 |
21 |
9914 |
◊ |
D |
x,y,z |
1_555 |
85 |
20 |
10089 |
744.9 |
-3.9 |
0.550 |
8 |
5 |
0 |
0.234 |
| Average: |
759.1 |
-3.8 |
0.560 |
9 |
5 |
0 |
0.234 |
| 3 |
7 |
|
F |
59 |
23 |
9914 |
◊ |
H |
x-1/2,-y+1/2,-z+1/2 |
8_455 |
56 |
19 |
10005 |
576.9 |
-4.7 |
0.368 |
5 |
0 |
0 |
0.000 |
| 4 |
8 |
|
D |
39 |
10 |
10089 |
◊ |
E |
x,y,z |
1_555 |
42 |
16 |
5625 |
400.5 |
2.3 |
0.881 |
5 |
0 |
0 |
0.018 |
9 |
|
F |
36 |
10 |
9914 |
◊ |
C |
x,y,z |
1_555 |
44 |
15 |
6000 |
392.3 |
1.3 |
0.770 |
6 |
0 |
0 |
0.018 |
10 |
|
H |
37 |
10 |
10005 |
◊ |
A |
x,y,z |
1_555 |
43 |
16 |
5780 |
372.7 |
0.6 |
0.737 |
5 |
0 |
0 |
0.018 |
11 |
|
B |
38 |
10 |
10042 |
◊ |
G |
x,y,z |
1_555 |
39 |
14 |
6163 |
355.4 |
1.0 |
0.749 |
5 |
0 |
0 |
0.018 |
| Average: |
380.2 |
1.3 |
0.784 |
5 |
0 |
0 |
0.018 |
| 5 |
12 |
|
C |
36 |
8 |
6000 |
◊ |
G |
-x+1/2,y-1/2,-z+1/2 |
7_545 |
36 |
7 |
6163 |
342.6 |
-1.1 |
0.709 |
4 |
0 |
0 |
0.000 |
| 6 |
13 |
|
B |
36 |
11 |
10042 |
◊ |
D |
x-1/2,-y+1/2,-z+1/2 |
8_455 |
38 |
11 |
10089 |
316.3 |
0.4 |
0.729 |
8 |
0 |
0 |
0.000 |
| 7 |
14 |
|
D |
32 |
7 |
10089 |
◊ |
H |
-x+1/2,y-1/2,-z+1/2 |
7_545 |
39 |
13 |
10005 |
310.4 |
-1.0 |
0.609 |
3 |
4 |
0 |
0.000 |
| 8 |
15 |
|
G |
21 |
6 |
6163 |
◊ |
A |
x,y,z |
1_555 |
22 |
6 |
5780 |
265.5 |
-8.7 |
0.040 |
0 |
0 |
0 |
0.060 |
16 |
|
E |
20 |
6 |
5625 |
◊ |
C |
x,y,z |
1_555 |
22 |
6 |
6000 |
241.6 |
-8.5 |
0.047 |
0 |
0 |
0 |
0.060 |
| Average: |
253.6 |
-8.6 |
0.043 |
0 |
0 |
0 |
0.060 |
| 9 |
17 |
|
E |
27 |
7 |
5625 |
◊ |
A |
-x+1/2,-y+1/2,z-1/2 |
6_554 |
27 |
6 |
5780 |
206.1 |
-1.7 |
0.667 |
1 |
3 |
0 |
0.000 |
| 10 |
18 |
|
F |
27 |
8 |
9914 |
◊ |
G |
x,y,z |
1_555 |
23 |
6 |
6163 |
201.9 |
-0.7 |
0.632 |
1 |
1 |
0 |
0.001 |
19 |
|
H |
14 |
4 |
10005 |
◊ |
E |
x,y,z |
1_555 |
16 |
5 |
5625 |
139.5 |
-0.1 |
0.706 |
1 |
0 |
0 |
0.001 |
| Average: |
170.7 |
-0.4 |
0.669 |
1 |
1 |
0 |
0.001 |
| 11 |
20 |
|
G |
8 |
3 |
6163 |
◊ |
E |
x,y,z |
1_555 |
8 |
3 |
5625 |
83.3 |
2.9 |
0.942 |
4 |
6 |
0 |
0.000 |
| 12 |
21 |
|
[SO4]G:601 |
5 |
1 |
186 |
f |
G |
x,y,z |
1_555 |
9 |
4 |
6163 |
74.8 |
-8.3 |
0.950 |
3 |
0 |
0 |
0.124 |
| 13 |
22 |
|
[SO4]D:202 |
5 |
1 |
186 |
f |
D |
x,y,z |
1_555 |
6 |
3 |
10089 |
73.2 |
-7.5 |
0.950 |
2 |
0 |
0 |
0.238 |
| 14 |
23 |
|
[SO4]H:202 |
4 |
1 |
185 |
f |
H |
x,y,z |
1_555 |
6 |
3 |
10005 |
67.3 |
-7.2 |
0.922 |
2 |
0 |
0 |
0.228 |
| 15 |
24 |
|
[SO4]H:201 |
4 |
1 |
186 |
f |
H |
x,y,z |
1_555 |
14 |
4 |
10005 |
64.7 |
-9.4 |
0.795 |
2 |
0 |
0 |
0.290 |
| 16 |
25 |
|
[SO4]H:201 |
5 |
1 |
186 |
◊ |
B |
x,y,z |
1_555 |
12 |
4 |
10042 |
60.2 |
-8.2 |
0.800 |
1 |
0 |
0 |
0.243 |
| 17 |
26 |
|
[SO4]D:201 |
5 |
1 |
186 |
f |
F |
x,y,z |
1_555 |
11 |
4 |
9914 |
58.2 |
-8.0 |
0.771 |
2 |
0 |
0 |
0.251 |
| 18 |
27 |
|
[SO4]D:201 |
4 |
1 |
186 |
◊ |
D |
x,y,z |
1_555 |
11 |
3 |
10089 |
55.3 |
-8.2 |
0.750 |
1 |
0 |
0 |
0.244 |
| 19 |
28 |
|
[SO4]G:601 |
5 |
1 |
186 |
◊ |
E |
x,y,z |
1_555 |
6 |
3 |
5625 |
52.9 |
-6.5 |
0.892 |
1 |
0 |
0 |
0.005 |
| 20 |
29 |
|
[SO4]H:202 |
3 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
4 |
1 |
5780 |
34.5 |
-4.6 |
0.621 |
0 |
0 |
0 |
0.030 |
| 21 |
30 |
|
[SO4]D:202 |
4 |
1 |
186 |
◊ |
E |
x,y,z |
1_555 |
4 |
1 |
5625 |
34.4 |
-4.2 |
0.679 |
0 |
0 |
0 |
0.030 |
| 22 |
31 |
|
H |
5 |
2 |
10005 |
◊ |
C |
x,y,z |
1_555 |
3 |
2 |
6000 |
27.7 |
0.4 |
0.768 |
0 |
0 |
0 |
0.000 |
32 |
|
F |
2 |
1 |
9914 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
5780 |
10.1 |
-0.0 |
0.481 |
0 |
0 |
0 |
0.000 |
| Average: |
18.9 |
0.2 |
0.624 |
0 |
0 |
0 |
0.000 |
| 23 |
33 |
|
[SO4]G:601 |
3 |
1 |
186 |
◊ |
F |
x,y,z |
1_555 |
7 |
5 |
9914 |
24.2 |
-2.9 |
0.802 |
0 |
0 |
0 |
0.002 |
| 24 |
34 |
|
C |
2 |
1 |
6000 |
◊ |
H |
-x+1/2,y-1/2,-z+1/2 |
7_545 |
4 |
2 |
10005 |
17.2 |
0.4 |
0.779 |
0 |
0 |
0 |
0.000 |
| 25 |
35 |
|
C |
3 |
2 |
6000 |
◊ |
B |
-x+1/2,y-1/2,-z+1/2 |
7_545 |
2 |
2 |
10042 |
16.7 |
0.4 |
0.710 |
0 |
0 |
0 |
0.000 |
| 26 |
36 |
|
[SO4]D:201 |
1 |
1 |
186 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
6000 |
16.3 |
-1.4 |
0.873 |
1 |
0 |
0 |
0.013 |
| 27 |
37 |
|
[SO4]G:601 |
2 |
1 |
186 |
◊ |
H |
x,y,z |
1_555 |
3 |
2 |
10005 |
16.2 |
-2.3 |
0.535 |
0 |
0 |
0 |
0.030 |
| 28 |
38 |
|
[SO4]H:201 |
3 |
1 |
186 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
5780 |
14.7 |
-1.2 |
0.974 |
0 |
0 |
0 |
0.008 |
| 29 |
39 |
|
[SO4]H:201 |
1 |
1 |
186 |
◊ |
G |
x,y,z |
1_555 |
1 |
1 |
6163 |
14.2 |
-1.2 |
0.869 |
0 |
0 |
0 |
0.015 |
| 30 |
40 |
|
[SO4]D:202 |
1 |
1 |
186 |
◊ |
F |
x,y,z |
1_555 |
1 |
1 |
9914 |
11.0 |
-1.1 |
0.823 |
0 |
0 |
0 |
0.032 |
| 31 |
41 |
|
[SO4]D:201 |
2 |
1 |
186 |
◊ |
E |
x,y,z |
1_555 |
2 |
1 |
5625 |
10.0 |
-0.9 |
0.922 |
0 |
0 |
0 |
0.016 |
| 32 |
42 |
|
D |
2 |
1 |
10089 |
◊ |
B |
-x+1/2,-y+1/2,z-1/2 |
6_554 |
1 |
1 |
10042 |
9.1 |
-0.3 |
0.338 |
0 |
0 |
0 |
0.000 |
| 33 |
43 |
|
D |
2 |
1 |
10089 |
◊ |
B |
-x+1/2,y-1/2,-z+1/2 |
7_545 |
3 |
1 |
10042 |
8.6 |
0.1 |
0.656 |
0 |
0 |
0 |
0.000 |
| 34 |
44 |
|
B |
1 |
1 |
10042 |
◊ |
B |
-x,y,-z+1 |
3_556 |
1 |
1 |
10042 |
5.2 |
0.2 |
0.796 |
0 |
0 |
0 |
0.000 |
| 35 |
45 |
|
D |
4 |
2 |
10089 |
◊ |
G |
-x+1/2,y-1/2,-z+1/2 |
7_545 |
1 |
1 |
6163 |
4.2 |
0.1 |
0.724 |
0 |
0 |
0 |
0.000 |
| 36 |
46 |
|
[SO4]H:202 |
1 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
10042 |
2.2 |
-0.3 |
0.829 |
0 |
0 |
0 |
0.007 |
|