| ## |
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 |
146 |
46 |
15465 |
◊ |
H |
x,y,z |
1_555 |
143 |
36 |
5391 |
1339.7 |
-13.7 |
0.149 |
16 |
9 |
0 |
0.808 |
2 |
|
B |
148 |
46 |
15638 |
◊ |
D |
x,y,z |
1_555 |
144 |
36 |
5580 |
1332.3 |
-13.4 |
0.166 |
17 |
9 |
0 |
0.808 |
| Average: |
1336.0 |
-13.5 |
0.158 |
17 |
9 |
0 |
0.808 |
| 2 |
3 |
|
B |
96 |
28 |
15638 |
◊ |
H |
x,y,z |
1_555 |
87 |
30 |
5391 |
869.8 |
-9.0 |
0.186 |
14 |
4 |
0 |
0.875 |
4 |
|
A |
95 |
29 |
15465 |
◊ |
D |
x,y,z |
1_555 |
84 |
30 |
5580 |
858.1 |
-10.1 |
0.116 |
12 |
2 |
0 |
0.875 |
| Average: |
864.0 |
-9.6 |
0.151 |
13 |
3 |
0 |
0.875 |
| 3 |
5 |
|
B |
89 |
22 |
15638 |
◊ |
A |
x,y,z |
1_555 |
90 |
24 |
15465 |
848.0 |
-3.3 |
0.469 |
18 |
20 |
0 |
1.000 |
| 4 |
6 |
|
B |
39 |
13 |
15638 |
◊ |
A |
x-1,y,z |
1_455 |
42 |
12 |
15465 |
342.4 |
-2.8 |
0.297 |
2 |
0 |
0 |
0.000 |
| 5 |
7 |
|
A |
37 |
12 |
15465 |
x |
A |
-x+1,y-1/2,-z+1 |
2_646 |
32 |
11 |
15465 |
311.6 |
0.5 |
0.667 |
5 |
5 |
0 |
0.000 |
| 6 |
8 |
|
B |
26 |
11 |
15638 |
◊ |
D |
-x,y-1/2,-z |
2_545 |
22 |
6 |
5580 |
202.7 |
1.4 |
0.802 |
3 |
1 |
0 |
0.000 |
| 7 |
9 |
|
[TSH]H:1 |
12 |
1 |
336 |
cf |
H |
x,y,z |
1_555 |
27 |
9 |
5391 |
147.3 |
-2.3 |
0.693 |
0 |
0 |
0 |
0.127 |
10 |
|
[TSH]D:2 |
12 |
1 |
334 |
cf |
D |
x,y,z |
1_555 |
26 |
9 |
5580 |
145.7 |
-2.2 |
0.664 |
0 |
0 |
0 |
0.127 |
| Average: |
146.5 |
-2.3 |
0.678 |
0 |
0 |
0 |
0.127 |
| 8 |
11 |
|
[TSH]H:1 |
10 |
1 |
336 |
◊ |
A |
x,y,z |
1_555 |
21 |
7 |
15465 |
118.5 |
-3.1 |
0.375 |
0 |
0 |
0 |
0.112 |
12 |
|
[TSH]D:2 |
10 |
1 |
334 |
◊ |
B |
x,y,z |
1_555 |
20 |
7 |
15638 |
117.4 |
-3.1 |
0.366 |
0 |
0 |
0 |
0.112 |
| Average: |
117.9 |
-3.1 |
0.370 |
0 |
0 |
0 |
0.112 |
| 9 |
13 |
|
D |
5 |
2 |
5580 |
◊ |
B |
-x,y-1/2,-z |
2_545 |
6 |
2 |
15638 |
47.6 |
0.1 |
0.642 |
1 |
0 |
0 |
0.000 |
| 10 |
14 |
|
A |
5 |
2 |
15465 |
◊ |
B |
-x,y-1/2,-z |
2_545 |
2 |
1 |
15638 |
22.8 |
-0.2 |
0.522 |
0 |
0 |
0 |
0.000 |
| 11 |
15 |
|
A |
2 |
2 |
15465 |
◊ |
B |
-x,y-1/2,-z+1 |
2_546 |
3 |
2 |
15638 |
4.9 |
-0.1 |
0.520 |
0 |
0 |
0 |
0.000 |
| 12 |
16 |
|
B |
1 |
1 |
15638 |
◊ |
A |
-x,y-1/2,-z+1 |
2_546 |
1 |
1 |
15465 |
0.3 |
-0.0 |
0.604 |
0 |
0 |
0 |
0.000 |
|