| ## |
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 |
182 |
49 |
17138 |
◊ |
A |
x,y,z |
1_555 |
184 |
50 |
16985 |
1643.0 |
-12.1 |
0.186 |
24 |
15 |
0 |
0.069 |
| 2 |
2 |
|
A |
79 |
26 |
16985 |
◊ |
A |
-x,y,-z+1 |
2_556 |
80 |
26 |
16985 |
732.5 |
-5.2 |
0.312 |
6 |
4 |
0 |
0.000 |
| 3 |
3 |
|
B |
65 |
23 |
17138 |
◊ |
B |
-x,y,-z+2 |
2_557 |
66 |
23 |
17138 |
559.5 |
-5.0 |
0.236 |
2 |
0 |
0 |
0.000 |
| 4 |
4 |
|
A |
38 |
14 |
16985 |
x |
A |
-x-1/2,y-1/2,-z+1 |
4_446 |
46 |
13 |
16985 |
375.0 |
-0.2 |
0.550 |
2 |
0 |
0 |
0.000 |
| 5 |
5 |
|
B |
27 |
12 |
17138 |
x |
B |
-x+1/2,y-1/2,-z+2 |
4_547 |
22 |
8 |
17138 |
263.7 |
2.3 |
0.835 |
4 |
4 |
0 |
0.000 |
| 6 |
6 |
|
[PEG]B:439 |
7 |
1 |
260 |
f |
B |
x,y,z |
1_555 |
22 |
9 |
17138 |
150.8 |
2.9 |
0.340 |
4 |
0 |
0 |
0.000 |
| 7 |
7 |
|
[PEG]A:438 |
7 |
1 |
256 |
f |
A |
x,y,z |
1_555 |
20 |
8 |
16985 |
138.7 |
3.2 |
0.365 |
3 |
0 |
0 |
0.000 |
| 8 |
8 |
|
[PEG]B:441 |
7 |
1 |
256 |
f |
B |
x,y,z |
1_555 |
12 |
6 |
17138 |
116.6 |
2.5 |
0.257 |
0 |
0 |
0 |
0.000 |
| 9 |
9 |
|
A |
12 |
4 |
16985 |
◊ |
B |
x-1/2,y+1/2,z |
3_455 |
13 |
4 |
17138 |
116.5 |
-0.2 |
0.558 |
2 |
0 |
0 |
0.000 |
| 10 |
10 |
|
[PEG]B:440 |
7 |
1 |
262 |
f |
B |
x,y,z |
1_555 |
14 |
4 |
17138 |
114.9 |
2.0 |
0.300 |
2 |
0 |
0 |
0.000 |
| 11 |
11 |
|
[K]A:428 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
12 |
9 |
16985 |
114.1 |
-108.1 |
0.000 |
0 |
0 |
0 |
0.596 |
12 |
|
[K]B:429 |
1 |
1 |
216 |
f |
B |
x,y,z |
1_555 |
12 |
9 |
17138 |
114.1 |
-107.7 |
0.000 |
0 |
0 |
0 |
0.596 |
| Average: |
114.1 |
-107.9 |
0.000 |
0 |
0 |
0 |
0.596 |
| 12 |
13 |
|
[DMS]A:437 |
4 |
1 |
208 |
f |
A |
x,y,z |
1_555 |
21 |
5 |
16985 |
112.9 |
2.6 |
0.468 |
0 |
0 |
0 |
0.000 |
| 13 |
14 |
|
[PO4]A:433 |
5 |
1 |
191 |
f |
A |
x,y,z |
1_555 |
18 |
10 |
16985 |
106.1 |
-6.1 |
0.768 |
3 |
0 |
0 |
0.020 |
| 14 |
15 |
|
[PO4]B:435 |
5 |
1 |
193 |
f |
B |
x,y,z |
1_555 |
13 |
5 |
17138 |
102.5 |
-4.7 |
0.947 |
2 |
0 |
0 |
0.015 |
| 15 |
16 |
|
B |
11 |
4 |
17138 |
◊ |
A |
-x,y,-z+2 |
2_557 |
14 |
4 |
16985 |
101.8 |
-0.2 |
0.550 |
0 |
5 |
0 |
0.000 |
| 16 |
17 |
|
[PEG]B:441 |
7 |
1 |
256 |
◊ |
B |
-x+1/2,y-1/2,-z+2 |
4_547 |
15 |
4 |
17138 |
100.3 |
2.9 |
0.322 |
0 |
0 |
0 |
0.000 |
| 17 |
18 |
|
[PEG]B:440 |
5 |
1 |
262 |
◊ |
A |
x,y,z |
1_555 |
11 |
4 |
16985 |
91.2 |
2.9 |
0.493 |
1 |
0 |
0 |
0.000 |
| 18 |
19 |
|
[PO4]A:436 |
5 |
1 |
195 |
f |
A |
x,y,z |
1_555 |
11 |
4 |
16985 |
89.0 |
-5.1 |
0.861 |
2 |
0 |
0 |
0.017 |
| 19 |
20 |
|
[PO4]A:434 |
5 |
1 |
194 |
f |
A |
x,y,z |
1_555 |
14 |
4 |
16985 |
83.1 |
-5.0 |
0.633 |
1 |
0 |
0 |
0.015 |
| 20 |
21 |
|
[CL]B:432 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
20 |
10 |
17138 |
73.9 |
-9.7 |
0.000 |
0 |
0 |
0 |
0.054 |
22 |
|
[CL]A:431 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
19 |
10 |
16985 |
73.2 |
-9.9 |
0.000 |
0 |
0 |
0 |
0.054 |
| Average: |
73.6 |
-9.8 |
0.000 |
0 |
0 |
0 |
0.054 |
| 21 |
23 |
|
[CL]A:430 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
13 |
7 |
16985 |
65.2 |
-9.2 |
0.000 |
0 |
0 |
0 |
0.025 |
| 22 |
24 |
|
[PO4]A:434 |
4 |
1 |
194 |
◊ |
B |
x,y,z |
1_555 |
8 |
3 |
17138 |
60.9 |
-2.5 |
0.926 |
3 |
0 |
0 |
0.011 |
| 23 |
25 |
|
B |
9 |
5 |
17138 |
x |
B |
x-1/2,y+1/2,z |
3_455 |
7 |
3 |
17138 |
52.3 |
0.3 |
0.670 |
0 |
0 |
0 |
0.000 |
| 24 |
26 |
|
B |
3 |
2 |
17138 |
◊ |
B |
-x+1,y,-z+2 |
2_657 |
3 |
2 |
17138 |
51.2 |
1.0 |
0.897 |
2 |
0 |
0 |
0.000 |
| 25 |
27 |
|
[ZN]B:426 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
9 |
5 |
17138 |
51.0 |
-34.8 |
0.000 |
0 |
0 |
0 |
0.164 |
28 |
|
[ZN]A:426 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
9 |
6 |
16985 |
36.8 |
-24.5 |
0.000 |
0 |
0 |
0 |
0.164 |
| Average: |
43.9 |
-29.7 |
0.000 |
0 |
0 |
0 |
0.164 |
| 26 |
29 |
|
A |
7 |
3 |
16985 |
◊ |
B |
x-1/2,y-1/2,z |
3_445 |
8 |
2 |
17138 |
37.1 |
-0.4 |
0.474 |
0 |
0 |
0 |
0.000 |
| 27 |
30 |
|
[PO4]A:433 |
4 |
1 |
191 |
f |
[ZN]A:426 |
x,y,z |
1_555 |
1 |
1 |
98 |
32.2 |
-15.7 |
0.000 |
0 |
0 |
0 |
0.043 |
| 28 |
31 |
|
B |
3 |
1 |
17138 |
◊ |
A |
-x,y,-z+1 |
2_556 |
3 |
1 |
16985 |
31.8 |
0.1 |
0.345 |
0 |
0 |
0 |
0.000 |
| 29 |
32 |
|
[PO4]A:434 |
1 |
1 |
194 |
f |
[CL]A:430 |
x,y,z |
1_555 |
1 |
1 |
125 |
6.6 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.003 |
| 30 |
33 |
|
A |
2 |
2 |
16985 |
x |
A |
x-1/2,y-1/2,z |
3_445 |
2 |
1 |
16985 |
3.5 |
0.0 |
0.610 |
0 |
0 |
0 |
0.000 |
| 31 |
34 |
|
A |
1 |
1 |
16985 |
◊ |
[PO4]B:435 |
x-1/2,y+1/2,z |
3_455 |
1 |
1 |
193 |
0.2 |
-0.0 |
0.718 |
0 |
0 |
0 |
0.000 |
|