## |
Structure 1 |
× |
Structure 2 |
interface area, Å2 |
ΔiG kcal/mol |
ΔiG P-value |
NHB |
NSB |
NDS |
CSS |
NN |
«» |
Range |
iNat |
iNres |
Surface Å2 |
Range |
Symmetry op-n |
Sym.ID |
iNat |
iNres |
Surface Å2 |
1 |
|
B |
196 |
54 |
11831 |
◊ |
A |
x,y,z |
1_555 |
207 |
57 |
11606 |
1797.2 |
-23.7 |
0.063 |
17 |
3 |
0 |
0.546 |
2 |
|
C |
78 |
20 |
5347 |
◊ |
B |
x,y,z |
1_555 |
71 |
17 |
11831 |
655.0 |
-3.9 |
0.620 |
9 |
3 |
0 |
0.012 |
3 |
|
C |
39 |
14 |
5347 |
◊ |
B |
x-1/2,-y-1/2,-z |
4_445 |
44 |
14 |
11831 |
425.2 |
-2.3 |
0.534 |
7 |
0 |
0 |
0.000 |
4 |
|
A |
42 |
15 |
11606 |
◊ |
B |
-x+1,y-1/2,-z-1/2 |
3_644 |
42 |
12 |
11831 |
385.3 |
-1.1 |
0.608 |
6 |
0 |
0 |
0.000 |
5 |
|
C |
32 |
9 |
5347 |
◊ |
A |
x,y,z |
1_555 |
35 |
12 |
11606 |
310.1 |
-1.0 |
0.605 |
4 |
2 |
0 |
0.004 |
6 |
|
[TRS]B:305 |
7 |
1 |
250 |
◊ |
C |
x,y,z |
1_555 |
20 |
7 |
5347 |
116.8 |
2.2 |
0.269 |
2 |
0 |
0 |
0.000 |
7 |
|
[EDO]A:306 |
4 |
1 |
183 |
◊ |
A |
x,y,z |
1_555 |
17 |
9 |
11606 |
107.0 |
3.0 |
0.457 |
2 |
0 |
0 |
0.000 |
8 |
|
[EDO]A:304 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
17 |
8 |
11606 |
97.2 |
2.9 |
0.458 |
1 |
0 |
0 |
0.000 |
9 |
|
[SO4]A:302 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
13 |
5 |
11606 |
90.4 |
-10.7 |
0.869 |
3 |
0 |
0 |
0.207 |
10 |
|
A |
10 |
4 |
11606 |
◊ |
B |
-x,y-1/2,-z-1/2 |
3_544 |
10 |
5 |
11831 |
87.6 |
-0.1 |
0.593 |
0 |
0 |
0 |
0.000 |
11 |
|
[EDO]B:304 |
4 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
13 |
3 |
11831 |
86.6 |
3.4 |
0.533 |
0 |
0 |
0 |
0.000 |
12 |
|
[EDO]B:303 |
4 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
18 |
9 |
11831 |
86.5 |
2.9 |
0.476 |
0 |
0 |
0 |
0.000 |
13 |
|
[SO4]B:301 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
12 |
7 |
11831 |
78.4 |
-11.5 |
0.855 |
3 |
0 |
0 |
0.222 |
14 |
|
[EDO]A:303 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
17 |
6 |
11606 |
77.9 |
1.7 |
0.792 |
4 |
0 |
0 |
0.001 |
15 |
|
[EDO]A:305 |
4 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
11 |
3 |
11606 |
76.8 |
1.6 |
0.234 |
2 |
0 |
0 |
0.000 |
16 |
|
[TRS]B:305 |
5 |
1 |
250 |
f |
B |
x,y,z |
1_555 |
10 |
5 |
11831 |
71.6 |
0.9 |
0.653 |
2 |
0 |
0 |
0.000 |
17 |
|
[EDO]B:302 |
4 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
14 |
6 |
11831 |
66.8 |
2.0 |
0.254 |
1 |
0 |
0 |
0.000 |
18 |
|
[EDO]A:305 |
4 |
1 |
186 |
◊ |
B |
x,y,z |
1_555 |
10 |
4 |
11831 |
65.5 |
0.8 |
0.669 |
0 |
0 |
0 |
0.000 |
19 |
|
B |
5 |
2 |
11831 |
x |
B |
-x+1,y-1/2,-z-1/2 |
3_644 |
5 |
3 |
11831 |
49.0 |
0.6 |
0.617 |
1 |
0 |
0 |
0.000 |
20 |
|
[EDO]B:302 |
4 |
1 |
184 |
◊ |
C |
x,y,z |
1_555 |
7 |
3 |
5347 |
48.9 |
1.3 |
0.750 |
0 |
0 |
0 |
0.000 |
21 |
|
[EDO]A:303 |
4 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
6 |
4 |
11831 |
44.9 |
1.7 |
0.926 |
1 |
0 |
0 |
0.000 |
22 |
|
[SO4]A:301 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
6 |
3 |
11606 |
44.5 |
-4.4 |
0.947 |
2 |
0 |
0 |
0.090 |
23 |
|
[EDO]B:303 |
4 |
1 |
184 |
f |
[EDO]B:302 |
x,y,z |
1_555 |
4 |
1 |
184 |
41.1 |
1.3 |
1.000 |
3 |
0 |
0 |
0.000 |
24 |
|
C |
4 |
3 |
5347 |
◊ |
[EDO]B:304 |
x-1/2,-y-1/2,-z |
4_445 |
4 |
1 |
184 |
38.5 |
0.5 |
0.631 |
0 |
0 |
0 |
0.000 |
25 |
|
[SO4]B:301 |
4 |
1 |
185 |
◊ |
C |
x,y,z |
1_555 |
4 |
3 |
5347 |
38.1 |
-4.8 |
0.850 |
0 |
0 |
0 |
0.007 |
26 |
|
[TRS]B:305 |
4 |
1 |
250 |
f |
[SO4]B:301 |
x,y,z |
1_555 |
4 |
1 |
185 |
35.5 |
-3.5 |
0.999 |
2 |
0 |
0 |
0.076 |
27 |
|
[EDO]A:306 |
3 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
2 |
1 |
11831 |
19.6 |
1.0 |
0.963 |
0 |
0 |
0 |
0.000 |
28 |
|
A |
1 |
1 |
11606 |
x |
A |
-x+1,y-1/2,-z-1/2 |
3_644 |
3 |
1 |
11606 |
7.7 |
0.1 |
0.694 |
0 |
0 |
0 |
0.000 |
29 |
|
C |
3 |
1 |
5347 |
f |
[EDO]B:303 |
x-1/2,-y-1/2,-z |
4_445 |
1 |
1 |
184 |
6.8 |
0.1 |
0.760 |
0 |
0 |
0 |
0.000 |
30 |
|
[EDO]B:304 |
2 |
1 |
184 |
f |
C |
x,y,z |
1_555 |
1 |
1 |
5347 |
5.9 |
0.1 |
0.586 |
0 |
0 |
0 |
0.000 |
31 |
|
A |
1 |
1 |
11606 |
x |
A |
x-1,y,z |
1_455 |
1 |
1 |
11606 |
1.0 |
0.0 |
0.584 |
0 |
0 |
0 |
0.000 |
32 |
|
C |
1 |
1 |
5347 |
x |
C |
x-1/2,-y-1/2,-z |
4_445 |
2 |
1 |
5347 |
0.9 |
-0.0 |
0.592 |
0 |
0 |
0 |
0.000 |
|