| ## |
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 |
|
D |
116 |
26 |
14832 |
◊ |
C |
x,y,z |
1_555 |
117 |
26 |
15003 |
1124.3 |
-20.4 |
0.031 |
4 |
1 |
0 |
0.632 |
2 |
|
F |
114 |
25 |
15387 |
◊ |
E |
x,y,z |
1_555 |
123 |
25 |
15519 |
1115.2 |
-21.5 |
0.073 |
4 |
0 |
0 |
0.632 |
3 |
|
B |
115 |
25 |
14945 |
◊ |
A |
x,y,z |
1_555 |
117 |
25 |
15540 |
1112.6 |
-20.5 |
0.025 |
5 |
2 |
0 |
0.632 |
| Average: |
1117.4 |
-20.8 |
0.043 |
4 |
1 |
0 |
0.632 |
| 2 |
4 |
|
E |
66 |
17 |
15519 |
◊ |
C |
x,y,z |
1_555 |
60 |
18 |
15003 |
551.2 |
-0.4 |
0.795 |
7 |
4 |
0 |
0.000 |
| 3 |
5 |
|
F |
57 |
21 |
15387 |
◊ |
A |
x-1,y,z-1 |
1_454 |
59 |
19 |
15540 |
537.2 |
-1.6 |
0.880 |
6 |
3 |
0 |
0.000 |
6 |
|
B |
53 |
21 |
14945 |
◊ |
D |
x-1,y,z |
1_455 |
61 |
19 |
14832 |
480.7 |
-2.8 |
0.658 |
3 |
2 |
0 |
0.000 |
| Average: |
508.9 |
-2.2 |
0.769 |
5 |
3 |
0 |
0.000 |
| 4 |
7 |
|
E |
52 |
12 |
15519 |
◊ |
C |
-x-1,y-1/2,-z-1 |
2_444 |
57 |
19 |
15003 |
490.4 |
-4.1 |
0.386 |
9 |
2 |
0 |
0.000 |
8 |
|
B |
54 |
17 |
14945 |
◊ |
A |
-x-1,y-1/2,-z |
2_445 |
51 |
12 |
15540 |
459.1 |
-5.0 |
0.393 |
9 |
1 |
0 |
0.000 |
| Average: |
474.7 |
-4.5 |
0.389 |
9 |
2 |
0 |
0.000 |
| 5 |
9 |
|
B |
42 |
11 |
14945 |
◊ |
C |
-x-1,y-1/2,-z |
2_445 |
50 |
16 |
15003 |
425.6 |
-0.3 |
0.734 |
4 |
1 |
0 |
0.000 |
| 6 |
10 |
|
C |
29 |
10 |
15003 |
◊ |
B |
x,y,z |
1_555 |
32 |
8 |
14945 |
303.3 |
-1.7 |
0.517 |
3 |
2 |
0 |
0.000 |
| 7 |
11 |
|
D |
18 |
7 |
14832 |
◊ |
C |
-x,y-1/2,-z |
2_545 |
24 |
7 |
15003 |
189.6 |
1.3 |
0.854 |
1 |
0 |
0 |
0.000 |
| 8 |
12 |
|
E |
17 |
8 |
15519 |
◊ |
A |
-x-1,y-1/2,-z |
2_445 |
10 |
4 |
15540 |
121.3 |
0.2 |
0.736 |
2 |
0 |
0 |
0.000 |
| 9 |
13 |
|
F |
15 |
5 |
15387 |
◊ |
A |
-x-1,y-1/2,-z |
2_445 |
14 |
5 |
15540 |
116.6 |
-0.2 |
0.759 |
0 |
0 |
0 |
0.000 |
| 10 |
14 |
|
E |
9 |
3 |
15519 |
◊ |
A |
x,y,z-1 |
1_554 |
12 |
5 |
15540 |
111.6 |
-0.1 |
0.565 |
1 |
2 |
0 |
0.000 |
| 11 |
15 |
|
[SO4]C:401 |
5 |
1 |
184 |
f |
C |
x,y,z |
1_555 |
13 |
8 |
15003 |
87.4 |
-11.2 |
0.899 |
4 |
0 |
0 |
0.368 |
| 12 |
16 |
|
[SO4]E:401 |
5 |
1 |
185 |
f |
E |
x,y,z |
1_555 |
13 |
7 |
15519 |
87.1 |
-11.9 |
0.901 |
3 |
0 |
0 |
0.299 |
| 13 |
17 |
|
[SO4]B:401 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
13 |
7 |
14945 |
81.8 |
-11.8 |
0.779 |
3 |
0 |
0 |
0.235 |
| 14 |
18 |
|
[SO4]A:401 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
10 |
4 |
15540 |
70.8 |
-8.2 |
0.973 |
2 |
0 |
0 |
0.163 |
| 15 |
19 |
|
B |
5 |
2 |
14945 |
x |
B |
-x-1,y-1/2,-z |
2_445 |
6 |
3 |
14945 |
60.4 |
0.3 |
0.604 |
1 |
1 |
0 |
0.000 |
20 |
|
F |
1 |
1 |
15387 |
x |
C |
-x-1,y-1/2,-z-1 |
2_444 |
1 |
1 |
15003 |
1.7 |
0.0 |
0.592 |
0 |
0 |
0 |
0.000 |
| Average: |
31.1 |
0.1 |
0.598 |
1 |
1 |
0 |
0.000 |
| 16 |
21 |
|
[CL]E:402 |
1 |
1 |
125 |
f |
E |
x,y,z |
1_555 |
8 |
3 |
15519 |
57.4 |
-7.7 |
0.000 |
0 |
0 |
0 |
0.173 |
22 |
|
[CL]A:402 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
8 |
3 |
15540 |
55.7 |
-7.1 |
0.000 |
0 |
0 |
0 |
0.173 |
| Average: |
56.6 |
-7.4 |
0.000 |
0 |
0 |
0 |
0.173 |
| 17 |
23 |
|
F |
9 |
4 |
15387 |
x |
F |
-x-2,y-1/2,-z-1 |
2_344 |
7 |
2 |
15387 |
52.7 |
-0.6 |
0.637 |
0 |
0 |
0 |
0.000 |
| 18 |
24 |
|
D |
12 |
5 |
14832 |
◊ |
A |
x,y,z |
1_555 |
7 |
4 |
15540 |
50.2 |
-1.1 |
0.441 |
0 |
0 |
0 |
0.000 |
| 19 |
25 |
|
D |
1 |
1 |
14832 |
x |
D |
-x,y-1/2,-z |
2_545 |
5 |
2 |
14832 |
29.1 |
0.1 |
0.238 |
0 |
0 |
0 |
0.000 |
| 20 |
26 |
|
F |
2 |
1 |
15387 |
◊ |
C |
x-1,y,z |
1_455 |
2 |
1 |
15003 |
17.3 |
0.1 |
0.610 |
0 |
0 |
0 |
0.000 |
| 21 |
27 |
|
[CL]A:402 |
1 |
1 |
125 |
f |
[SO4]A:401 |
x,y,z |
1_555 |
3 |
1 |
186 |
17.2 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.064 |
|