| ## |
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 |
|
F |
175 |
51 |
15165 |
◊ |
F |
y-1,x+1,-z |
4_465 |
176 |
51 |
15165 |
1738.0 |
-15.8 |
0.200 |
10 |
16 |
0 |
0.459 |
2 |
|
D |
170 |
49 |
15245 |
◊ |
C |
x,y,z |
1_555 |
167 |
51 |
15107 |
1724.5 |
-18.1 |
0.117 |
18 |
18 |
0 |
0.459 |
3 |
|
B |
165 |
47 |
15257 |
◊ |
A |
x,y,z |
1_555 |
167 |
47 |
15113 |
1715.1 |
-17.6 |
0.099 |
19 |
17 |
0 |
0.459 |
4 |
|
E |
164 |
48 |
14909 |
◊ |
E |
y-1,x+1,-z |
4_465 |
162 |
48 |
14909 |
1693.7 |
-19.1 |
0.112 |
10 |
16 |
0 |
0.459 |
| Average: |
1717.8 |
-17.7 |
0.132 |
14 |
17 |
0 |
0.459 |
| 2 |
5 |
|
C |
72 |
21 |
15107 |
◊ |
A |
x,y,z |
1_555 |
69 |
22 |
15113 |
703.1 |
-11.5 |
0.062 |
4 |
6 |
0 |
0.299 |
6 |
|
F |
70 |
22 |
15165 |
◊ |
E |
x,y,z |
1_555 |
69 |
21 |
14909 |
692.2 |
-10.7 |
0.089 |
7 |
7 |
0 |
0.299 |
7 |
|
D |
63 |
21 |
15245 |
◊ |
B |
x,y,z |
1_555 |
64 |
20 |
15257 |
641.6 |
-12.9 |
0.021 |
3 |
1 |
0 |
0.299 |
| Average: |
678.9 |
-11.7 |
0.057 |
5 |
5 |
0 |
0.299 |
| 3 |
8 |
|
F |
44 |
16 |
15165 |
◊ |
E |
x-y+1,-y+2,-z-1/3 |
5_674 |
46 |
16 |
14909 |
460.8 |
-1.9 |
0.543 |
1 |
0 |
0 |
0.000 |
9 |
|
C |
43 |
15 |
15107 |
◊ |
B |
-y,x-y+1,z+1/3 |
2_565 |
48 |
17 |
15257 |
449.3 |
-0.1 |
0.672 |
0 |
1 |
0 |
0.000 |
10 |
|
A |
49 |
15 |
15113 |
◊ |
D |
-y,x-y+1,z+1/3 |
2_565 |
44 |
15 |
15245 |
448.4 |
-3.2 |
0.411 |
0 |
1 |
0 |
0.000 |
| Average: |
452.8 |
-1.7 |
0.542 |
0 |
1 |
0 |
0.000 |
| 4 |
11 |
|
F |
49 |
14 |
15165 |
◊ |
E |
y-1,x+1,-z |
4_465 |
48 |
14 |
14909 |
453.2 |
-2.7 |
0.496 |
1 |
0 |
0 |
0.039 |
12 |
|
D |
42 |
14 |
15245 |
◊ |
A |
x,y,z |
1_555 |
46 |
13 |
15113 |
423.9 |
-2.1 |
0.492 |
1 |
0 |
0 |
0.039 |
13 |
|
C |
39 |
11 |
15107 |
◊ |
B |
x,y,z |
1_555 |
36 |
11 |
15257 |
373.3 |
-1.9 |
0.478 |
1 |
0 |
0 |
0.039 |
| Average: |
416.8 |
-2.2 |
0.489 |
1 |
0 |
0 |
0.039 |
| 5 |
14 |
|
C |
28 |
9 |
15107 |
◊ |
F |
y-2,x,-z |
4_355 |
28 |
12 |
15165 |
246.5 |
-0.5 |
0.620 |
0 |
0 |
0 |
0.000 |
15 |
|
D |
20 |
7 |
15245 |
◊ |
A |
y-1,x,-z |
4_455 |
21 |
6 |
15113 |
181.4 |
1.0 |
0.754 |
2 |
0 |
0 |
0.000 |
16 |
|
E |
17 |
6 |
14909 |
◊ |
B |
x,y,z |
1_555 |
18 |
7 |
15257 |
170.1 |
0.3 |
0.684 |
1 |
0 |
0 |
0.000 |
| Average: |
199.3 |
0.3 |
0.686 |
1 |
0 |
0 |
0.000 |
| 6 |
17 |
|
F |
14 |
6 |
15165 |
◊ |
B |
x-y+1,-y+2,-z-1/3 |
5_674 |
14 |
6 |
15257 |
123.5 |
-0.4 |
0.559 |
1 |
0 |
0 |
0.000 |
18 |
|
D |
13 |
5 |
15245 |
◊ |
D |
x-y,-y,-z-1/3 |
5_554 |
13 |
5 |
15245 |
108.3 |
0.5 |
0.713 |
0 |
0 |
0 |
0.000 |
| Average: |
115.9 |
0.0 |
0.636 |
1 |
0 |
0 |
0.000 |
| 7 |
19 |
|
[SO4]F:401 |
5 |
1 |
186 |
f |
F |
x,y,z |
1_555 |
20 |
11 |
15165 |
119.3 |
-20.1 |
0.509 |
4 |
0 |
0 |
0.658 |
| 8 |
20 |
|
C |
16 |
5 |
15107 |
◊ |
D |
-y,x-y+1,z+1/3 |
2_565 |
12 |
6 |
15245 |
111.2 |
-0.2 |
0.599 |
0 |
0 |
0 |
0.000 |
21 |
|
A |
13 |
4 |
15113 |
◊ |
B |
-y,x-y+1,z+1/3 |
2_565 |
11 |
4 |
15257 |
87.3 |
-0.0 |
0.606 |
0 |
0 |
0 |
0.000 |
| Average: |
99.3 |
-0.1 |
0.603 |
0 |
0 |
0 |
0.000 |
| 9 |
22 |
|
[SO4]A:401 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
22 |
12 |
15113 |
110.0 |
-16.2 |
0.725 |
2 |
0 |
0 |
0.362 |
| 10 |
23 |
|
[SO4]E:401 |
5 |
1 |
184 |
f |
E |
x,y,z |
1_555 |
24 |
13 |
14909 |
108.4 |
-15.2 |
0.862 |
1 |
0 |
0 |
0.546 |
| 11 |
24 |
|
[SO4]D:401 |
5 |
1 |
187 |
f |
D |
x,y,z |
1_555 |
21 |
11 |
15245 |
106.5 |
-16.9 |
0.691 |
4 |
0 |
0 |
0.377 |
| 12 |
25 |
|
[SO4]B:401 |
5 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
22 |
13 |
15257 |
105.7 |
-16.6 |
0.691 |
0 |
0 |
0 |
0.335 |
| 13 |
26 |
|
[SO4]C:401 |
5 |
1 |
184 |
f |
C |
x,y,z |
1_555 |
22 |
12 |
15107 |
103.5 |
-15.2 |
0.827 |
2 |
0 |
0 |
0.340 |
| 14 |
27 |
|
C |
2 |
1 |
15107 |
◊ |
E |
-y,x-y+1,z+1/3 |
2_565 |
3 |
1 |
14909 |
23.4 |
1.0 |
0.916 |
0 |
0 |
0 |
0.000 |
28 |
|
A |
2 |
1 |
15113 |
◊ |
A |
-x,-x+y,-z+1/3 |
6_555 |
2 |
1 |
15113 |
22.8 |
1.3 |
0.941 |
0 |
0 |
0 |
0.000 |
| Average: |
23.1 |
1.2 |
0.929 |
0 |
0 |
0 |
0.000 |
|