| ## |
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 |
45 |
16 |
6499 |
◊ |
C |
x-1,y,z |
1_455 |
52 |
15 |
6634 |
498.6 |
-7.1 |
0.267 |
2 |
0 |
0 |
0.000 |
2 |
|
C |
46 |
17 |
6634 |
◊ |
A |
x,y,z |
1_555 |
49 |
12 |
6919 |
492.1 |
-7.6 |
0.243 |
3 |
1 |
0 |
0.000 |
3 |
|
D |
43 |
15 |
6609 |
◊ |
B |
x,y,z |
1_555 |
50 |
11 |
6499 |
490.6 |
-8.3 |
0.226 |
3 |
0 |
0 |
0.000 |
4 |
|
A |
41 |
15 |
6919 |
◊ |
D |
x-1,y,z |
1_455 |
45 |
12 |
6609 |
459.7 |
-7.7 |
0.223 |
3 |
0 |
0 |
0.000 |
| Average: |
485.3 |
-7.7 |
0.240 |
3 |
0 |
0 |
0.000 |
| 2 |
5 |
|
G |
35 |
4 |
806 |
◊ |
C |
x,y,z |
1_555 |
53 |
17 |
6634 |
423.6 |
-5.6 |
0.391 |
6 |
4 |
0 |
0.377 |
6 |
|
F |
35 |
4 |
810 |
◊ |
B |
x,y,z |
1_555 |
50 |
18 |
6499 |
408.1 |
-4.6 |
0.536 |
7 |
8 |
0 |
0.377 |
7 |
|
H |
35 |
4 |
802 |
◊ |
D |
x,y,z |
1_555 |
50 |
20 |
6609 |
402.0 |
-4.2 |
0.581 |
5 |
6 |
0 |
0.377 |
8 |
|
E |
35 |
4 |
799 |
◊ |
A |
x,y,z |
1_555 |
49 |
19 |
6919 |
390.9 |
-4.3 |
0.532 |
3 |
5 |
0 |
0.377 |
| Average: |
406.2 |
-4.7 |
0.510 |
5 |
6 |
0 |
0.377 |
| 3 |
9 |
|
B |
38 |
12 |
6499 |
◊ |
A |
x,y,z |
1_555 |
41 |
12 |
6919 |
360.2 |
-4.1 |
0.484 |
2 |
0 |
0 |
0.070 |
10 |
|
D |
37 |
12 |
6609 |
◊ |
C |
x,y,z |
1_555 |
37 |
13 |
6634 |
344.5 |
-2.9 |
0.538 |
2 |
0 |
0 |
0.070 |
| Average: |
352.3 |
-3.5 |
0.511 |
2 |
0 |
0 |
0.070 |
| 4 |
11 |
|
A |
31 |
8 |
6919 |
◊ |
C |
x-1/2,-y+1/2,-z |
4_455 |
35 |
7 |
6634 |
298.2 |
-2.0 |
0.608 |
1 |
2 |
0 |
0.000 |
| 5 |
12 |
|
A |
29 |
7 |
6919 |
◊ |
B |
-x-1/2,-y,z-1/2 |
2_454 |
24 |
8 |
6499 |
238.2 |
-3.7 |
0.415 |
1 |
1 |
0 |
0.000 |
| 6 |
13 |
|
E |
20 |
4 |
799 |
◊ |
D |
x,y,z |
1_555 |
18 |
6 |
6609 |
181.7 |
-2.6 |
0.368 |
1 |
0 |
0 |
0.000 |
14 |
|
F |
20 |
4 |
810 |
◊ |
C |
x,y,z |
1_555 |
17 |
7 |
6634 |
163.7 |
-2.1 |
0.383 |
1 |
0 |
0 |
0.000 |
15 |
|
A |
17 |
6 |
6919 |
◊ |
G |
x-1,y,z |
1_455 |
15 |
4 |
806 |
141.2 |
-1.4 |
0.537 |
0 |
0 |
0 |
0.000 |
| Average: |
162.2 |
-2.0 |
0.429 |
1 |
0 |
0 |
0.000 |
| 7 |
16 |
|
B |
17 |
6 |
6499 |
◊ |
H |
x-1,y,z |
1_455 |
21 |
4 |
802 |
170.3 |
-2.4 |
0.401 |
1 |
0 |
0 |
0.000 |
| 8 |
17 |
|
B |
16 |
6 |
6499 |
◊ |
D |
x-1/2,-y-1/2,-z |
4_445 |
18 |
6 |
6609 |
140.0 |
-2.3 |
0.421 |
0 |
0 |
0 |
0.003 |
| 9 |
18 |
|
D |
17 |
8 |
6609 |
◊ |
A |
x,y,z |
1_555 |
15 |
6 |
6919 |
138.4 |
-1.3 |
0.557 |
1 |
0 |
0 |
0.000 |
19 |
|
B |
11 |
5 |
6499 |
◊ |
D |
x-1,y,z |
1_455 |
8 |
4 |
6609 |
92.8 |
-1.1 |
0.449 |
0 |
0 |
0 |
0.000 |
20 |
|
C |
10 |
5 |
6634 |
◊ |
B |
x,y,z |
1_555 |
7 |
4 |
6499 |
91.4 |
-1.1 |
0.400 |
0 |
0 |
0 |
0.000 |
21 |
|
A |
3 |
2 |
6919 |
◊ |
C |
x-1,y,z |
1_455 |
3 |
2 |
6634 |
41.5 |
-1.3 |
0.141 |
0 |
0 |
0 |
0.000 |
| Average: |
91.0 |
-1.2 |
0.387 |
0 |
0 |
0 |
0.000 |
| 10 |
22 |
|
B |
18 |
4 |
6499 |
◊ |
C |
-x,y-1/2,-z+1/2 |
3_545 |
13 |
4 |
6634 |
137.2 |
-2.9 |
0.223 |
0 |
0 |
0 |
0.000 |
| 11 |
23 |
|
[SO4]B:117 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
16 |
7 |
6499 |
104.8 |
-16.7 |
0.722 |
5 |
0 |
0 |
0.515 |
| 12 |
24 |
|
[SO4]D:117 |
5 |
1 |
186 |
f |
D |
x,y,z |
1_555 |
14 |
7 |
6609 |
104.4 |
-16.8 |
0.714 |
4 |
0 |
0 |
0.718 |
| 13 |
25 |
|
[SO4]A:117 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
12 |
6 |
6919 |
95.4 |
-14.8 |
0.744 |
5 |
0 |
0 |
0.727 |
| 14 |
26 |
|
[SO4]C:117 |
5 |
1 |
186 |
f |
C |
x,y,z |
1_555 |
12 |
6 |
6634 |
89.8 |
-13.8 |
0.735 |
2 |
0 |
0 |
0.623 |
| 15 |
27 |
|
A |
13 |
4 |
6919 |
x |
A |
x-1/2,-y+1/2,-z |
4_455 |
7 |
2 |
6919 |
82.5 |
-1.7 |
0.290 |
1 |
0 |
0 |
0.000 |
| 16 |
28 |
|
[SO4]A:118 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
9 |
4 |
6499 |
64.3 |
-7.8 |
0.967 |
2 |
0 |
0 |
0.236 |
| 17 |
29 |
|
E |
7 |
2 |
799 |
◊ |
B |
x,y,z |
1_555 |
5 |
2 |
6499 |
58.3 |
0.1 |
0.733 |
1 |
0 |
0 |
0.012 |
30 |
|
F |
7 |
2 |
810 |
◊ |
A |
x,y,z |
1_555 |
5 |
2 |
6919 |
56.8 |
-0.1 |
0.675 |
1 |
0 |
0 |
0.012 |
31 |
|
G |
7 |
1 |
806 |
◊ |
D |
x,y,z |
1_555 |
6 |
2 |
6609 |
56.7 |
0.7 |
0.822 |
1 |
0 |
0 |
0.012 |
32 |
|
H |
8 |
2 |
802 |
◊ |
C |
x,y,z |
1_555 |
7 |
2 |
6634 |
54.5 |
0.6 |
0.811 |
1 |
2 |
0 |
0.012 |
| Average: |
56.6 |
0.3 |
0.760 |
1 |
1 |
0 |
0.012 |
| 18 |
33 |
|
[SO4]A:118 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
8 |
3 |
6919 |
49.1 |
-6.0 |
0.883 |
0 |
0 |
0 |
0.083 |
| 19 |
34 |
|
[SO4]A:118 |
4 |
1 |
185 |
◊ |
D |
x,y,z |
1_555 |
2 |
2 |
6609 |
28.0 |
-3.2 |
0.439 |
0 |
0 |
0 |
0.000 |
| 20 |
35 |
|
[SO4]A:118 |
3 |
1 |
185 |
◊ |
C |
x,y,z |
1_555 |
2 |
2 |
6634 |
26.6 |
-3.2 |
0.440 |
0 |
0 |
0 |
0.000 |
| 21 |
36 |
|
[SO4]B:117 |
1 |
1 |
186 |
◊ |
D |
x-1/2,-y-1/2,-z |
4_445 |
2 |
1 |
6609 |
13.8 |
-1.9 |
0.527 |
0 |
0 |
0 |
0.003 |
| 22 |
37 |
|
D |
2 |
1 |
6609 |
x |
D |
x-1/2,-y-1/2,-z |
4_445 |
2 |
1 |
6609 |
4.5 |
0.1 |
0.755 |
0 |
0 |
0 |
0.000 |
| 23 |
38 |
|
B |
1 |
1 |
6499 |
◊ |
G |
x-1,y,z |
1_455 |
1 |
1 |
806 |
3.2 |
0.0 |
0.551 |
0 |
0 |
0 |
0.000 |
| 24 |
39 |
|
[SO4]A:118 |
1 |
1 |
185 |
◊ |
F |
x,y,z |
1_555 |
1 |
1 |
810 |
2.0 |
-0.3 |
0.806 |
0 |
0 |
0 |
0.007 |
| 25 |
40 |
|
[SO4]A:118 |
1 |
1 |
185 |
◊ |
E |
x,y,z |
1_555 |
1 |
1 |
799 |
1.2 |
-0.2 |
0.791 |
0 |
0 |
0 |
0.002 |
|