## |
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 |
103 |
28 |
8658 |
◊ |
C |
x,y,z |
1_555 |
105 |
29 |
8801 |
988.6 |
-2.9 |
0.509 |
24 |
10 |
0 |
0.392 |
2 |
|
B |
108 |
29 |
8718 |
◊ |
A |
x,y,z |
1_555 |
107 |
28 |
8828 |
986.8 |
-2.2 |
0.504 |
24 |
10 |
0 |
0.392 |
Average: |
987.7 |
-2.6 |
0.506 |
24 |
10 |
0 |
0.392 |
2 |
3 |
|
C |
81 |
22 |
8801 |
◊ |
A |
x,y,z |
1_555 |
84 |
22 |
8828 |
690.8 |
-2.9 |
0.448 |
8 |
2 |
0 |
0.000 |
4 |
|
B |
82 |
23 |
8718 |
◊ |
D |
x,y-1,z |
1_545 |
84 |
21 |
8658 |
687.3 |
-2.9 |
0.481 |
8 |
2 |
0 |
0.000 |
Average: |
689.1 |
-2.9 |
0.465 |
8 |
2 |
0 |
0.000 |
3 |
5 |
|
C |
38 |
15 |
8801 |
x |
C |
-x+2,y-1/2,-z+1 |
2_746 |
32 |
8 |
8801 |
346.0 |
-8.1 |
0.026 |
5 |
0 |
0 |
0.000 |
6 |
|
B |
37 |
15 |
8718 |
x |
B |
-x+1,y-1/2,-z+2 |
2_647 |
31 |
8 |
8718 |
345.8 |
-8.1 |
0.026 |
5 |
0 |
0 |
0.000 |
7 |
|
A |
32 |
7 |
8828 |
x |
A |
-x+1,y-1/2,-z+1 |
2_646 |
29 |
9 |
8828 |
287.3 |
-3.1 |
0.233 |
3 |
0 |
0 |
0.000 |
8 |
|
D |
34 |
7 |
8658 |
x |
D |
-x+2,y-1/2,-z+2 |
2_747 |
24 |
9 |
8658 |
271.5 |
-4.1 |
0.163 |
4 |
0 |
0 |
0.000 |
Average: |
312.6 |
-5.8 |
0.112 |
4 |
0 |
0 |
0.000 |
4 |
9 |
|
D |
31 |
10 |
8658 |
◊ |
B |
x,y,z |
1_555 |
25 |
9 |
8718 |
270.7 |
3.1 |
0.861 |
7 |
6 |
0 |
0.000 |
10 |
|
A |
30 |
10 |
8828 |
◊ |
C |
x,y-1,z |
1_545 |
25 |
9 |
8801 |
260.8 |
2.9 |
0.818 |
7 |
7 |
0 |
0.000 |
Average: |
265.8 |
3.0 |
0.840 |
7 |
7 |
0 |
0.000 |
5 |
11 |
|
D |
12 |
5 |
8658 |
◊ |
A |
x,y,z |
1_555 |
9 |
4 |
8828 |
99.3 |
-0.1 |
0.499 |
4 |
2 |
0 |
0.000 |
12 |
|
A |
11 |
5 |
8828 |
◊ |
D |
x,y-1,z |
1_545 |
9 |
4 |
8658 |
98.7 |
-0.1 |
0.508 |
4 |
2 |
0 |
0.000 |
Average: |
99.0 |
-0.1 |
0.503 |
4 |
2 |
0 |
0.000 |
6 |
13 |
|
[SO4]B:301 |
4 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
9 |
4 |
8718 |
70.9 |
-8.7 |
0.943 |
3 |
0 |
0 |
0.274 |
7 |
14 |
|
[SO4]C:302 |
4 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
9 |
4 |
8801 |
70.1 |
-9.4 |
0.869 |
3 |
0 |
0 |
0.218 |
8 |
15 |
|
[CL]B:303 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
8 |
4 |
8718 |
70.0 |
-12.2 |
0.000 |
0 |
0 |
0 |
0.333 |
16 |
|
[CL]C:305 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
8 |
4 |
8801 |
69.8 |
-12.2 |
0.000 |
0 |
0 |
0 |
0.333 |
Average: |
69.9 |
-12.2 |
0.000 |
0 |
0 |
0 |
0.333 |
9 |
17 |
|
[CL]D:304 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
8 |
4 |
8658 |
66.2 |
-11.3 |
0.000 |
0 |
0 |
0 |
0.229 |
10 |
18 |
|
A |
6 |
2 |
8828 |
◊ |
C |
-x+1,y-1/2,-z+1 |
2_646 |
4 |
2 |
8801 |
35.0 |
0.4 |
0.670 |
0 |
0 |
0 |
0.000 |
19 |
|
B |
4 |
2 |
8718 |
◊ |
D |
-x+2,y-1/2,-z+2 |
2_747 |
4 |
2 |
8658 |
28.4 |
0.1 |
0.550 |
0 |
0 |
0 |
0.000 |
Average: |
31.7 |
0.3 |
0.610 |
0 |
0 |
0 |
0.000 |
11 |
20 |
|
[SO4]B:301 |
1 |
1 |
186 |
◊ |
D |
x,y,z |
1_555 |
1 |
1 |
8658 |
2.0 |
-0.2 |
0.857 |
0 |
0 |
0 |
0.000 |
12 |
21 |
|
A |
1 |
1 |
8828 |
◊ |
[SO4]C:302 |
x,y-1,z |
1_545 |
1 |
1 |
185 |
1.6 |
-0.2 |
0.853 |
0 |
0 |
0 |
0.000 |
|