## |
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 |
97 |
31 |
12486 |
◊ |
A |
x,y,z |
1_555 |
99 |
32 |
12630 |
979.3 |
-2.9 |
0.527 |
14 |
15 |
0 |
0.099 |
2 |
2 |
|
[COA]B:301 |
43 |
1 |
1006 |
f |
B |
x,y,z |
1_555 |
72 |
24 |
12486 |
516.8 |
-0.9 |
0.413 |
11 |
0 |
0 |
0.099 |
3 |
|
[COA]A:301 |
43 |
1 |
1006 |
f |
A |
x,y,z |
1_555 |
67 |
24 |
12630 |
510.5 |
-1.9 |
0.345 |
8 |
0 |
0 |
0.099 |
Average: |
513.6 |
-1.4 |
0.379 |
10 |
0 |
0 |
0.099 |
3 |
4 |
|
[LLL]A:302 |
27 |
1 |
622 |
f |
A |
x,y,z |
1_555 |
49 |
21 |
12630 |
368.0 |
-4.1 |
0.649 |
8 |
0 |
0 |
0.134 |
5 |
|
[LLL]B:302 |
28 |
1 |
625 |
f |
B |
x,y,z |
1_555 |
54 |
22 |
12486 |
367.4 |
-4.5 |
0.638 |
7 |
0 |
0 |
0.134 |
Average: |
367.7 |
-4.3 |
0.644 |
8 |
0 |
0 |
0.134 |
4 |
6 |
|
[COA]A:301 |
13 |
1 |
1006 |
◊ |
B |
x,y,z |
1_555 |
16 |
5 |
12486 |
142.1 |
2.2 |
0.732 |
3 |
0 |
0 |
0.000 |
7 |
|
[COA]B:301 |
14 |
1 |
1006 |
◊ |
A |
x,y,z |
1_555 |
15 |
5 |
12630 |
140.8 |
2.1 |
0.721 |
3 |
0 |
0 |
0.000 |
Average: |
141.5 |
2.1 |
0.726 |
3 |
0 |
0 |
0.000 |
5 |
8 |
|
[PE3]A:306 |
9 |
1 |
321 |
f |
A |
x,y,z |
1_555 |
21 |
5 |
12630 |
126.6 |
-1.8 |
0.623 |
1 |
0 |
0 |
0.020 |
6 |
9 |
|
[PE3]A:307 |
7 |
1 |
255 |
f |
A |
x,y,z |
1_555 |
18 |
6 |
12630 |
101.5 |
-2.2 |
0.676 |
0 |
0 |
0 |
0.019 |
7 |
10 |
|
A |
11 |
4 |
12630 |
◊ |
A |
y,x,-z |
4_555 |
11 |
4 |
12630 |
95.1 |
-2.1 |
0.187 |
0 |
0 |
0 |
0.000 |
8 |
11 |
|
[GOL]B:307 |
6 |
1 |
217 |
f |
B |
x,y,z |
1_555 |
19 |
7 |
12486 |
94.2 |
-0.3 |
0.565 |
1 |
0 |
0 |
0.006 |
9 |
12 |
|
[GOL]A:310 |
6 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
14 |
4 |
12630 |
87.6 |
0.2 |
0.655 |
3 |
0 |
0 |
0.010 |
10 |
13 |
|
[GOL]A:309 |
6 |
1 |
220 |
◊ |
A |
x,y,z |
1_555 |
14 |
7 |
12630 |
83.2 |
-0.4 |
0.492 |
1 |
0 |
0 |
0.007 |
11 |
14 |
|
[GOL]B:306 |
5 |
1 |
218 |
f |
B |
x,y,z |
1_555 |
17 |
4 |
12486 |
83.1 |
-0.7 |
0.459 |
1 |
0 |
0 |
0.010 |
12 |
15 |
|
[GOL]A:311 |
6 |
1 |
219 |
f |
A |
x,y,z |
1_555 |
16 |
4 |
12630 |
79.7 |
-0.3 |
0.521 |
1 |
0 |
0 |
0.007 |
13 |
16 |
|
[GOL]B:308 |
5 |
1 |
217 |
f |
B |
x,y,z |
1_555 |
15 |
4 |
12486 |
75.2 |
-0.8 |
0.464 |
0 |
0 |
0 |
0.007 |
14 |
17 |
|
[GOL]A:308 |
5 |
1 |
220 |
f |
A |
x,y,z |
1_555 |
8 |
2 |
12630 |
69.2 |
0.5 |
0.667 |
4 |
0 |
0 |
0.011 |
15 |
18 |
|
[LLL]A:302 |
6 |
1 |
622 |
cf |
[COA]A:301 |
x,y,z |
1_555 |
3 |
1 |
1006 |
65.0 |
-3.2 |
0.239 |
0 |
0 |
0 |
0.055 |
19 |
|
[LLL]B:302 |
7 |
1 |
625 |
cf |
[COA]B:301 |
x,y,z |
1_555 |
2 |
1 |
1006 |
63.8 |
-3.1 |
0.233 |
0 |
0 |
0 |
0.055 |
Average: |
64.4 |
-3.1 |
0.236 |
0 |
0 |
0 |
0.055 |
16 |
20 |
|
[SO4]B:305 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
11 |
4 |
12486 |
60.4 |
-8.3 |
0.740 |
2 |
0 |
0 |
0.081 |
17 |
21 |
|
[SO4]A:304 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
9 |
3 |
12630 |
60.3 |
-8.0 |
0.749 |
2 |
0 |
0 |
0.078 |
18 |
22 |
|
[CL]B:303 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
9 |
5 |
12486 |
60.2 |
-8.6 |
0.000 |
0 |
0 |
0 |
0.076 |
19 |
23 |
|
[CL]A:303 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
9 |
2 |
12630 |
53.1 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.047 |
20 |
24 |
|
[GOL]A:309 |
4 |
1 |
220 |
f |
B |
x,y,z |
1_555 |
4 |
3 |
12486 |
46.4 |
0.7 |
0.767 |
1 |
0 |
0 |
0.000 |
21 |
25 |
|
[SO4]B:304 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
6 |
3 |
12486 |
44.9 |
-4.3 |
0.952 |
4 |
0 |
0 |
0.053 |
22 |
26 |
|
[SO4]A:305 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
5 |
2 |
12630 |
44.8 |
-3.9 |
0.969 |
2 |
0 |
0 |
0.042 |
23 |
27 |
|
[GOL]A:310 |
6 |
1 |
216 |
f |
[SO4]A:305 |
x,y,z |
1_555 |
4 |
1 |
185 |
37.9 |
-4.6 |
0.760 |
0 |
0 |
0 |
0.041 |
24 |
28 |
|
[GOL]A:309 |
4 |
1 |
220 |
f |
[SO4]B:304 |
x,y,z |
1_555 |
3 |
1 |
184 |
30.4 |
-3.9 |
0.683 |
0 |
0 |
0 |
0.034 |
25 |
29 |
|
[GOL]A:310 |
3 |
1 |
216 |
◊ |
B |
x,y,z |
1_555 |
4 |
1 |
12486 |
27.1 |
-0.1 |
0.604 |
0 |
0 |
0 |
0.001 |
26 |
30 |
|
B |
3 |
1 |
12486 |
◊ |
A |
x,y,z-1 |
1_554 |
3 |
2 |
12630 |
23.9 |
-0.2 |
0.464 |
0 |
0 |
0 |
0.000 |
27 |
31 |
|
[SO4]A:305 |
3 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
2 |
2 |
12486 |
19.3 |
-2.1 |
0.906 |
0 |
0 |
0 |
0.019 |
28 |
32 |
|
[CL]A:303 |
1 |
1 |
125 |
f |
[COA]A:301 |
x,y,z |
1_555 |
3 |
1 |
1006 |
13.5 |
-1.6 |
0.000 |
0 |
0 |
0 |
0.014 |
29 |
33 |
|
[SO4]A:305 |
3 |
1 |
185 |
◊ |
[CL]B:303 |
x,y,z |
1_555 |
1 |
1 |
125 |
13.5 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.026 |
30 |
34 |
|
[SO4]B:304 |
1 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
12630 |
10.9 |
-1.2 |
0.785 |
0 |
0 |
0 |
0.010 |
31 |
35 |
|
[CL]B:303 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
12630 |
8.1 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.004 |
32 |
36 |
|
[GOL]A:311 |
1 |
1 |
219 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
12486 |
6.1 |
0.1 |
0.628 |
0 |
0 |
0 |
0.000 |
33 |
37 |
|
[GOL]A:311 |
2 |
1 |
219 |
f |
[SO4]A:305 |
x,y,z |
1_555 |
2 |
1 |
185 |
5.1 |
-0.7 |
0.748 |
0 |
0 |
0 |
0.006 |
|