| ## |
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 |
|
A |
98 |
23 |
12288 |
x |
A |
x-y,x,z+1/6 |
6_555 |
84 |
23 |
12288 |
813.5 |
-8.2 |
0.401 |
10 |
7 |
0 |
0.000 |
2 |
|
B |
88 |
24 |
12448 |
x |
B |
x-y+1,x+1,z+1/6 |
6_665 |
95 |
24 |
12448 |
802.9 |
-6.2 |
0.523 |
10 |
8 |
0 |
0.000 |
| Average: |
808.2 |
-7.2 |
0.462 |
10 |
8 |
0 |
0.000 |
| 2 |
3 |
|
B |
58 |
17 |
12448 |
◊ |
E |
x,y,z |
1_555 |
53 |
11 |
1534 |
592.5 |
-6.7 |
0.354 |
8 |
1 |
0 |
0.340 |
4 |
|
A |
52 |
16 |
12288 |
◊ |
C |
x,y,z |
1_555 |
52 |
10 |
1374 |
545.5 |
-8.3 |
0.221 |
7 |
1 |
0 |
0.340 |
| Average: |
569.0 |
-7.5 |
0.288 |
8 |
1 |
0 |
0.340 |
| 3 |
5 |
|
[MOF]B:301 |
30 |
1 |
636 |
f |
B |
x,y,z |
1_555 |
67 |
26 |
12448 |
483.8 |
-18.0 |
0.205 |
2 |
0 |
0 |
0.598 |
6 |
|
[MOF]A:302 |
30 |
1 |
641 |
f |
A |
x,y,z |
1_555 |
68 |
26 |
12288 |
476.0 |
-18.5 |
0.304 |
4 |
0 |
0 |
0.598 |
| Average: |
479.9 |
-18.2 |
0.254 |
3 |
0 |
0 |
0.598 |
| 4 |
7 |
|
B |
47 |
13 |
12448 |
◊ |
A |
x,y,z |
1_555 |
41 |
10 |
12288 |
360.8 |
-2.4 |
0.598 |
5 |
2 |
0 |
0.000 |
| 5 |
8 |
|
E |
19 |
5 |
1534 |
◊ |
C |
-y,x-y+1,z+1/3 |
2_565 |
21 |
6 |
1374 |
180.3 |
-4.2 |
0.259 |
0 |
0 |
0 |
0.000 |
| 6 |
9 |
|
B |
17 |
6 |
12448 |
◊ |
A |
x-y,x+1,z+1/6 |
6_565 |
15 |
6 |
12288 |
170.9 |
-2.4 |
0.313 |
1 |
0 |
0 |
0.000 |
| 7 |
10 |
|
B |
11 |
4 |
12448 |
◊ |
C |
-y,x-y+1,z+1/3 |
2_565 |
13 |
3 |
1374 |
107.8 |
-0.8 |
0.485 |
1 |
1 |
0 |
0.000 |
11 |
|
E |
13 |
3 |
1534 |
◊ |
A |
-y,x-y+1,z+1/3 |
2_565 |
10 |
4 |
12288 |
83.5 |
-1.5 |
0.387 |
0 |
0 |
0 |
0.000 |
| Average: |
95.6 |
-1.1 |
0.436 |
1 |
1 |
0 |
0.000 |
| 8 |
12 |
|
[GOL]A:301 |
6 |
1 |
220 |
f |
A |
x,y,z |
1_555 |
14 |
7 |
12288 |
107.4 |
-0.7 |
0.459 |
3 |
0 |
0 |
0.059 |
| 9 |
13 |
|
[GOL]B:303 |
6 |
1 |
220 |
f |
B |
x,y,z |
1_555 |
19 |
8 |
12448 |
105.8 |
-0.5 |
0.600 |
1 |
0 |
0 |
0.030 |
| 10 |
14 |
|
[FMT]B:302 |
3 |
1 |
149 |
f |
B |
x,y,z |
1_555 |
17 |
10 |
12448 |
89.5 |
-0.0 |
0.424 |
3 |
0 |
0 |
0.043 |
| 11 |
15 |
|
E |
8 |
4 |
1534 |
◊ |
[GOL]A:301 |
-y,x-y+1,z+1/3 |
2_565 |
5 |
1 |
220 |
54.4 |
-1.2 |
0.364 |
0 |
0 |
0 |
0.000 |
| 12 |
16 |
|
[GOL]B:303 |
4 |
1 |
220 |
◊ |
A |
x-y,x+1,z+1/6 |
6_565 |
7 |
2 |
12288 |
51.6 |
-0.2 |
0.624 |
0 |
0 |
0 |
0.000 |
| 13 |
17 |
|
[GOL]A:301 |
4 |
1 |
220 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
1374 |
13.0 |
-0.1 |
0.370 |
0 |
0 |
0 |
0.003 |
| 14 |
18 |
|
E |
2 |
1 |
1534 |
◊ |
A |
x-y,x+1,z+1/6 |
6_565 |
2 |
1 |
12288 |
8.5 |
0.3 |
0.764 |
0 |
0 |
0 |
0.000 |
19 |
|
B |
2 |
1 |
12448 |
◊ |
C |
x-y,x+1,z+1/6 |
6_565 |
2 |
1 |
1374 |
8.1 |
0.2 |
0.761 |
0 |
0 |
0 |
0.000 |
| Average: |
8.3 |
0.3 |
0.763 |
0 |
0 |
0 |
0.000 |
|