## |
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 |
|
C |
277 |
65 |
6983 |
◊ |
B |
x,y,z |
1_555 |
308 |
71 |
8913 |
2826.0 |
-44.9 |
0.089 |
37 |
7 |
1 |
1.000 |
2 |
|
H |
270 |
66 |
6906 |
◊ |
G |
x,y,z |
1_555 |
306 |
71 |
8842 |
2813.5 |
-46.2 |
0.133 |
33 |
3 |
1 |
1.000 |
Average: |
2819.7 |
-45.6 |
0.111 |
35 |
5 |
1 |
1.000 |
2 |
3 |
|
B |
53 |
18 |
8913 |
◊ |
A |
x,y,z |
1_555 |
40 |
11 |
1364 |
488.3 |
-11.3 |
0.376 |
4 |
0 |
1 |
1.000 |
4 |
|
G |
53 |
19 |
8842 |
◊ |
F |
x,y,z |
1_555 |
43 |
11 |
1327 |
476.3 |
-11.7 |
0.364 |
2 |
0 |
1 |
1.000 |
Average: |
482.3 |
-11.5 |
0.370 |
3 |
0 |
1 |
1.000 |
3 |
5 |
|
D |
44 |
13 |
3930 |
◊ |
B |
x,y,z |
1_555 |
48 |
16 |
8913 |
409.2 |
-5.3 |
0.280 |
3 |
0 |
0 |
0.065 |
6 |
|
I |
42 |
11 |
3965 |
◊ |
G |
x,y,z |
1_555 |
48 |
15 |
8842 |
383.5 |
-5.2 |
0.308 |
3 |
0 |
0 |
0.065 |
Average: |
396.3 |
-5.3 |
0.294 |
3 |
0 |
0 |
0.065 |
4 |
7 |
|
D |
45 |
11 |
3930 |
◊ |
C |
x,y,z |
1_555 |
52 |
17 |
6983 |
387.0 |
-5.4 |
0.313 |
8 |
0 |
0 |
0.320 |
8 |
|
I |
42 |
10 |
3965 |
◊ |
H |
x,y,z |
1_555 |
50 |
17 |
6906 |
378.6 |
-5.9 |
0.316 |
9 |
0 |
0 |
0.320 |
Average: |
382.8 |
-5.7 |
0.315 |
9 |
0 |
0 |
0.320 |
5 |
9 |
|
C |
36 |
10 |
6983 |
◊ |
I |
x-y,x,z+1/6 |
6_555 |
43 |
10 |
3965 |
363.3 |
-1.4 |
0.606 |
4 |
0 |
0 |
0.119 |
10 |
|
D |
39 |
10 |
3930 |
◊ |
H |
x-y,x,z+1/6 |
6_555 |
35 |
12 |
6906 |
326.0 |
-2.6 |
0.544 |
3 |
0 |
0 |
0.119 |
Average: |
344.6 |
-2.0 |
0.575 |
4 |
0 |
0 |
0.119 |
6 |
11 |
|
I |
34 |
13 |
3965 |
◊ |
D |
x,y,z |
1_555 |
33 |
13 |
3930 |
353.4 |
-3.8 |
0.280 |
4 |
0 |
0 |
0.002 |
7 |
12 |
|
D |
28 |
6 |
3930 |
◊ |
I |
x-y,x,z+1/6 |
6_555 |
26 |
6 |
3965 |
258.8 |
3.5 |
0.845 |
3 |
0 |
0 |
0.000 |
8 |
13 |
|
C |
19 |
6 |
6983 |
◊ |
A |
x,y,z |
1_555 |
25 |
9 |
1364 |
209.1 |
-0.4 |
0.894 |
6 |
0 |
0 |
0.040 |
14 |
|
H |
18 |
6 |
6906 |
◊ |
F |
x,y,z |
1_555 |
26 |
9 |
1327 |
209.1 |
-2.1 |
0.843 |
3 |
0 |
0 |
0.040 |
Average: |
209.1 |
-1.3 |
0.868 |
5 |
0 |
0 |
0.040 |
9 |
15 |
|
I |
22 |
7 |
3965 |
◊ |
B |
x,y,z |
1_555 |
21 |
5 |
8913 |
174.7 |
-3.3 |
0.294 |
0 |
0 |
0 |
0.002 |
16 |
|
D |
21 |
7 |
3930 |
◊ |
G |
x,y,z |
1_555 |
19 |
4 |
8842 |
172.2 |
-2.0 |
0.412 |
1 |
1 |
0 |
0.002 |
Average: |
173.5 |
-2.6 |
0.353 |
1 |
1 |
0 |
0.002 |
10 |
17 |
|
G |
16 |
6 |
8842 |
◊ |
A |
x-y-1,x,z+1/6 |
6_455 |
13 |
4 |
1364 |
146.0 |
-2.2 |
0.598 |
1 |
0 |
0 |
0.000 |
11 |
18 |
|
D |
15 |
7 |
3930 |
◊ |
H |
x,y,z |
1_555 |
10 |
2 |
6906 |
101.5 |
0.6 |
0.720 |
2 |
0 |
0 |
0.000 |
19 |
|
I |
12 |
6 |
3965 |
◊ |
C |
x,y,z |
1_555 |
9 |
2 |
6983 |
94.7 |
0.3 |
0.691 |
2 |
0 |
0 |
0.000 |
Average: |
98.1 |
0.5 |
0.706 |
2 |
0 |
0 |
0.000 |
12 |
20 |
|
F |
11 |
3 |
1327 |
◊ |
A |
x-y-1,x,z+1/6 |
6_455 |
11 |
5 |
1364 |
98.2 |
-0.6 |
0.914 |
1 |
0 |
0 |
0.000 |
13 |
21 |
|
[SO4]I:301 |
5 |
1 |
184 |
f |
I |
x,y,z |
1_555 |
14 |
5 |
3965 |
87.0 |
-12.5 |
0.613 |
2 |
0 |
0 |
0.377 |
14 |
22 |
|
B |
6 |
2 |
8913 |
◊ |
G |
x-y,x,z+1/6 |
6_555 |
6 |
2 |
8842 |
86.1 |
-2.3 |
0.140 |
0 |
0 |
0 |
0.011 |
15 |
23 |
|
[SO4]I:401 |
5 |
1 |
182 |
f |
I |
x,y,z |
1_555 |
10 |
7 |
3965 |
80.7 |
-10.8 |
0.844 |
3 |
0 |
0 |
0.342 |
16 |
24 |
|
G |
8 |
5 |
8842 |
◊ |
B |
x-y-1,x,z+1/6 |
6_455 |
11 |
5 |
8913 |
67.7 |
-0.2 |
0.684 |
0 |
0 |
0 |
0.000 |
17 |
25 |
|
D |
7 |
3 |
3930 |
◊ |
[SO4]I:301 |
x-y,x,z+1/6 |
6_555 |
5 |
1 |
184 |
66.1 |
-8.5 |
0.880 |
3 |
0 |
0 |
0.167 |
18 |
26 |
|
G |
8 |
2 |
8842 |
◊ |
C |
x-y-1,x,z+1/6 |
6_455 |
9 |
4 |
6983 |
65.8 |
-0.4 |
0.618 |
0 |
0 |
0 |
0.005 |
19 |
27 |
|
F |
6 |
2 |
1327 |
◊ |
C |
x-y-1,x,z+1/6 |
6_455 |
8 |
3 |
6983 |
54.5 |
-0.7 |
0.683 |
0 |
0 |
0 |
0.009 |
20 |
28 |
|
B |
4 |
2 |
8913 |
◊ |
I |
x-y,x,z+1/6 |
6_555 |
11 |
3 |
3965 |
38.2 |
-0.4 |
0.416 |
0 |
0 |
0 |
0.004 |
29 |
|
D |
7 |
3 |
3930 |
◊ |
G |
x-y,x,z+1/6 |
6_555 |
4 |
2 |
8842 |
25.8 |
-0.4 |
0.485 |
0 |
0 |
0 |
0.004 |
Average: |
32.0 |
-0.4 |
0.450 |
0 |
0 |
0 |
0.004 |
21 |
30 |
|
B |
1 |
1 |
8913 |
◊ |
[SO4]I:401 |
x-y,x,z+1/6 |
6_555 |
1 |
1 |
182 |
14.3 |
-2.0 |
0.404 |
0 |
0 |
0 |
0.010 |
22 |
31 |
|
[SO4]I:401 |
2 |
1 |
182 |
◊ |
G |
x,y,z |
1_555 |
2 |
2 |
8842 |
2.5 |
-0.3 |
0.752 |
0 |
0 |
0 |
0.002 |
|