## |
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 |
|
C |
66 |
22 |
13712 |
x |
C |
-y,x-y+1,z-1/3 |
2_564 |
48 |
14 |
13712 |
516.3 |
-0.4 |
0.585 |
2 |
3 |
0 |
0.000 |
2 |
2 |
|
A |
52 |
17 |
12876 |
x |
A |
-y,x-y,z-1/3 |
2_554 |
43 |
13 |
12876 |
418.0 |
-3.3 |
0.217 |
0 |
0 |
0 |
0.000 |
3 |
|
B |
55 |
17 |
13057 |
x |
B |
-y-1,x-y,z-1/3 |
2_454 |
39 |
12 |
13057 |
410.3 |
-3.5 |
0.277 |
2 |
2 |
0 |
0.000 |
Average: |
414.1 |
-3.4 |
0.247 |
1 |
1 |
0 |
0.000 |
3 |
4 |
|
B |
47 |
16 |
13057 |
◊ |
C |
-y,x-y,z-1/3 |
2_554 |
44 |
12 |
13712 |
393.0 |
-4.5 |
0.163 |
3 |
1 |
0 |
0.000 |
4 |
5 |
|
A |
29 |
8 |
12876 |
◊ |
C |
-y,x-y,z+2/3 |
2_555 |
33 |
11 |
13712 |
233.6 |
-1.0 |
0.457 |
3 |
2 |
0 |
0.000 |
5 |
6 |
|
C |
27 |
10 |
13712 |
◊ |
A |
x,y,z-1 |
1_554 |
27 |
6 |
12876 |
219.5 |
0.1 |
0.607 |
0 |
3 |
0 |
0.000 |
6 |
7 |
|
[PEG]C:1346 |
7 |
1 |
258 |
◊ |
C |
x,y,z |
1_555 |
26 |
11 |
13712 |
164.0 |
4.2 |
0.455 |
1 |
0 |
0 |
0.000 |
7 |
8 |
|
B |
14 |
6 |
13057 |
◊ |
A |
x,y,z |
1_555 |
20 |
7 |
12876 |
161.3 |
-0.6 |
0.483 |
0 |
1 |
0 |
0.000 |
8 |
9 |
|
[PEG]C:1345 |
7 |
1 |
258 |
◊ |
C |
x,y,z |
1_555 |
20 |
5 |
13712 |
153.9 |
3.3 |
0.333 |
2 |
0 |
0 |
0.000 |
9 |
10 |
|
[PEG]A:1349 |
7 |
1 |
245 |
f |
A |
x,y,z |
1_555 |
17 |
7 |
12876 |
124.4 |
2.0 |
0.267 |
1 |
0 |
0 |
0.000 |
10 |
11 |
|
[PEG]A:1347 |
6 |
1 |
259 |
◊ |
A |
x,y,z |
1_555 |
15 |
6 |
12876 |
115.0 |
3.7 |
0.458 |
1 |
0 |
0 |
0.000 |
11 |
12 |
|
[PEG]A:1345 |
7 |
1 |
256 |
f |
A |
x,y,z |
1_555 |
15 |
6 |
12876 |
104.7 |
2.4 |
0.237 |
1 |
0 |
0 |
0.000 |
12 |
13 |
|
[SO4]C:1342 |
5 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
16 |
9 |
13712 |
103.3 |
-14.0 |
0.784 |
2 |
0 |
0 |
0.046 |
13 |
14 |
|
[SO4]A:1343 |
5 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
15 |
7 |
12876 |
101.7 |
-13.8 |
0.900 |
8 |
0 |
0 |
0.083 |
14 |
15 |
|
[PEG]A:1350 |
6 |
1 |
254 |
◊ |
A |
x,y,z |
1_555 |
14 |
8 |
12876 |
97.6 |
2.2 |
0.292 |
1 |
0 |
0 |
0.000 |
15 |
16 |
|
[SO4]C:1341 |
5 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
12 |
7 |
13712 |
88.5 |
-14.0 |
0.712 |
2 |
0 |
0 |
0.046 |
16 |
17 |
|
[SO4]B:1342 |
5 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
12 |
6 |
13057 |
78.8 |
-11.3 |
0.871 |
6 |
0 |
0 |
0.106 |
17 |
18 |
|
[PEG]C:1344 |
7 |
1 |
262 |
f |
C |
x,y,z |
1_555 |
8 |
3 |
13712 |
71.0 |
1.5 |
0.196 |
2 |
0 |
0 |
0.000 |
18 |
19 |
|
C |
11 |
5 |
13712 |
◊ |
A |
x,y,z |
1_555 |
12 |
4 |
12876 |
63.9 |
-0.7 |
0.427 |
0 |
0 |
0 |
0.000 |
19 |
20 |
|
[PEG]B:1344 |
5 |
1 |
258 |
◊ |
B |
x,y,z |
1_555 |
12 |
4 |
13057 |
63.4 |
0.3 |
0.147 |
0 |
0 |
0 |
0.000 |
20 |
21 |
|
[PEG]A:1349 |
5 |
1 |
245 |
◊ |
A |
-y,x-y,z-1/3 |
2_554 |
6 |
3 |
12876 |
59.1 |
2.4 |
0.454 |
0 |
0 |
0 |
0.000 |
21 |
22 |
|
[SO4]A:1342 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
7 |
3 |
12876 |
57.2 |
-7.6 |
0.748 |
1 |
0 |
0 |
0.038 |
22 |
23 |
|
[PEG]B:1343 |
6 |
1 |
259 |
◊ |
B |
x,y,z |
1_555 |
6 |
2 |
13057 |
56.6 |
2.3 |
0.304 |
0 |
0 |
0 |
0.000 |
23 |
24 |
|
C |
8 |
2 |
13712 |
◊ |
[PEG]C:1344 |
-y,x-y+1,z-1/3 |
2_564 |
4 |
1 |
262 |
54.7 |
1.9 |
0.422 |
0 |
0 |
0 |
0.000 |
24 |
25 |
|
C |
8 |
3 |
13712 |
◊ |
B |
x,y,z |
1_555 |
7 |
4 |
13057 |
54.6 |
1.0 |
0.778 |
0 |
0 |
0 |
0.000 |
25 |
26 |
|
[PEG]B:1344 |
7 |
1 |
258 |
f |
A |
x,y,z |
1_555 |
8 |
4 |
12876 |
54.4 |
1.3 |
0.132 |
0 |
0 |
0 |
0.000 |
26 |
27 |
|
[PEG]C:1343 |
6 |
1 |
252 |
f |
[SO4]C:1341 |
x,y,z |
1_555 |
4 |
1 |
185 |
52.4 |
-5.7 |
0.234 |
1 |
0 |
0 |
0.019 |
27 |
28 |
|
[PEG]A:1344 |
3 |
1 |
260 |
f |
A |
x,y,z |
1_555 |
7 |
3 |
12876 |
49.0 |
0.8 |
0.253 |
0 |
0 |
0 |
0.000 |
28 |
29 |
|
[PEG]C:1343 |
3 |
1 |
252 |
f |
C |
x,y,z |
1_555 |
9 |
5 |
13712 |
46.8 |
1.4 |
0.420 |
0 |
0 |
0 |
0.000 |
29 |
30 |
|
B |
10 |
4 |
13057 |
◊ |
A |
x,y,z-1 |
1_554 |
6 |
4 |
12876 |
46.4 |
-0.4 |
0.444 |
0 |
0 |
0 |
0.000 |
30 |
31 |
|
A |
6 |
2 |
12876 |
x |
A |
-y,x-y,z+2/3 |
2_555 |
6 |
2 |
12876 |
44.6 |
-0.2 |
0.535 |
0 |
0 |
0 |
0.000 |
32 |
|
B |
2 |
2 |
13057 |
x |
B |
-y-1,x-y,z+2/3 |
2_455 |
3 |
1 |
13057 |
18.2 |
0.3 |
0.597 |
0 |
0 |
0 |
0.000 |
Average: |
31.4 |
0.1 |
0.566 |
0 |
0 |
0 |
0.000 |
31 |
33 |
|
C |
5 |
2 |
13712 |
f |
[PEG]C:1345 |
-y,x-y+1,z-1/3 |
2_564 |
5 |
1 |
258 |
43.8 |
1.0 |
0.151 |
0 |
0 |
0 |
0.000 |
32 |
34 |
|
[SO4]C:1342 |
3 |
1 |
185 |
◊ |
A |
x,y,z-1 |
1_554 |
4 |
2 |
12876 |
40.8 |
-4.2 |
0.943 |
1 |
0 |
0 |
0.000 |
33 |
35 |
|
[PEG]A:1348 |
2 |
1 |
258 |
◊ |
A |
x,y,z |
1_555 |
4 |
2 |
12876 |
35.6 |
2.0 |
0.628 |
0 |
0 |
0 |
0.000 |
34 |
36 |
|
[PEG]A:1346 |
4 |
1 |
250 |
f |
A |
x,y,z |
1_555 |
6 |
3 |
12876 |
35.1 |
1.1 |
0.270 |
0 |
0 |
0 |
0.000 |
35 |
37 |
|
[PEG]B:1344 |
3 |
1 |
258 |
f |
[SO4]A:1343 |
x,y,z |
1_555 |
4 |
1 |
183 |
31.6 |
-3.1 |
0.381 |
1 |
0 |
0 |
0.017 |
36 |
38 |
|
B |
4 |
1 |
13057 |
f |
[PEG]A:1350 |
x,y,z-1 |
1_554 |
3 |
1 |
254 |
28.8 |
0.8 |
0.317 |
0 |
0 |
0 |
0.000 |
37 |
39 |
|
[PEG]A:1344 |
4 |
1 |
260 |
◊ |
C |
x,y,z |
1_555 |
3 |
1 |
13712 |
28.7 |
1.2 |
0.333 |
0 |
0 |
0 |
0.000 |
38 |
40 |
|
B |
3 |
1 |
13057 |
◊ |
[PEG]A:1346 |
x,y,z-1 |
1_554 |
2 |
1 |
250 |
26.9 |
1.1 |
0.510 |
0 |
0 |
0 |
0.000 |
39 |
41 |
|
[PEG]A:1346 |
4 |
1 |
250 |
f |
[PEG]A:1345 |
x,y,z |
1_555 |
2 |
1 |
256 |
25.3 |
1.2 |
0.162 |
0 |
0 |
0 |
0.000 |
40 |
42 |
|
C |
2 |
1 |
13712 |
f |
[PEG]B:1343 |
-y-1,x-y,z-1/3 |
2_454 |
2 |
1 |
259 |
20.0 |
0.1 |
0.300 |
1 |
0 |
0 |
0.001 |
41 |
43 |
|
[PEG]A:1348 |
2 |
1 |
258 |
f |
C |
x,y,z |
1_555 |
3 |
1 |
13712 |
17.7 |
0.8 |
0.436 |
0 |
0 |
0 |
0.000 |
42 |
44 |
|
[PEG]C:1346 |
1 |
1 |
258 |
f |
[PEG]C:1345 |
x,y,z |
1_555 |
1 |
1 |
258 |
1.9 |
0.1 |
0.202 |
0 |
0 |
0 |
0.000 |
43 |
45 |
|
A |
1 |
1 |
12876 |
f |
[PEG]A:1347 |
-y,x-y,z-1/3 |
2_554 |
1 |
1 |
259 |
1.7 |
0.0 |
0.456 |
0 |
0 |
0 |
0.000 |
44 |
46 |
|
A |
1 |
1 |
12876 |
◊ |
[SO4]A:1342 |
-y,x-y,z+2/3 |
2_555 |
1 |
1 |
185 |
1.0 |
-0.1 |
0.822 |
0 |
0 |
0 |
0.000 |
|