| ## |
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 |
437 |
112 |
21381 |
◊ |
A |
x,y,z |
1_555 |
447 |
110 |
21059 |
4171.0 |
-41.6 |
0.097 |
60 |
36 |
0 |
1.000 |
2 |
|
D |
425 |
109 |
19566 |
◊ |
C |
x,y,z |
1_555 |
433 |
111 |
19579 |
4022.0 |
-39.7 |
0.299 |
55 |
36 |
0 |
1.000 |
| Average: |
4096.5 |
-40.7 |
0.198 |
58 |
36 |
0 |
1.000 |
| 2 |
3 |
|
D |
225 |
62 |
19566 |
◊ |
B |
x,y,z |
1_555 |
235 |
61 |
21381 |
2048.9 |
-19.0 |
0.340 |
33 |
25 |
0 |
1.000 |
4 |
|
C |
213 |
58 |
19579 |
◊ |
A |
x,y,z |
1_555 |
219 |
60 |
21059 |
1941.2 |
-15.4 |
0.473 |
28 |
26 |
0 |
1.000 |
| Average: |
1995.0 |
-17.2 |
0.406 |
31 |
26 |
0 |
1.000 |
| 3 |
5 |
|
C |
165 |
50 |
19579 |
◊ |
B |
x,y,z |
1_555 |
169 |
52 |
21381 |
1583.7 |
-12.8 |
0.412 |
22 |
9 |
0 |
1.000 |
6 |
|
D |
150 |
50 |
19566 |
◊ |
A |
x,y,z |
1_555 |
157 |
53 |
21059 |
1458.2 |
-11.6 |
0.446 |
18 |
10 |
0 |
1.000 |
| Average: |
1521.0 |
-12.2 |
0.429 |
20 |
10 |
0 |
1.000 |
| 4 |
7 |
|
A |
93 |
28 |
21059 |
◊ |
B |
-x+1,y-1/2,-z+1/2 |
3_645 |
93 |
29 |
21381 |
812.1 |
-6.3 |
0.463 |
5 |
2 |
0 |
0.000 |
| 5 |
8 |
|
A |
52 |
14 |
21059 |
◊ |
C |
-x+1/2,-y+1,z-1/2 |
2_564 |
64 |
21 |
19579 |
544.5 |
-3.2 |
0.499 |
4 |
0 |
0 |
0.000 |
9 |
|
D |
64 |
18 |
19566 |
◊ |
B |
-x+1/2,-y+1,z-1/2 |
2_564 |
54 |
12 |
21381 |
533.1 |
-4.9 |
0.395 |
3 |
0 |
0 |
0.000 |
| Average: |
538.8 |
-4.1 |
0.447 |
4 |
0 |
0 |
0.000 |
| 6 |
10 |
|
[AS1]B:501 |
19 |
1 |
486 |
◊ |
B |
x,y,z |
1_555 |
47 |
15 |
21381 |
250.8 |
3.9 |
0.598 |
8 |
0 |
0 |
0.000 |
11 |
|
[AS1]D:501 |
19 |
1 |
489 |
◊ |
D |
x,y,z |
1_555 |
49 |
16 |
19566 |
250.1 |
5.3 |
0.679 |
7 |
0 |
0 |
0.000 |
12 |
|
[AS1]A:501 |
19 |
1 |
479 |
◊ |
A |
x,y,z |
1_555 |
50 |
15 |
21059 |
236.6 |
5.0 |
0.700 |
9 |
0 |
0 |
0.000 |
| Average: |
245.8 |
4.7 |
0.659 |
8 |
0 |
0 |
0.000 |
| 7 |
13 |
|
[EDO]B:502 |
4 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
22 |
12 |
21381 |
120.2 |
3.9 |
0.700 |
0 |
0 |
0 |
0.000 |
| 8 |
14 |
|
[AS1]D:501 |
9 |
1 |
489 |
f |
B |
x,y,z |
1_555 |
15 |
9 |
21381 |
116.8 |
0.8 |
0.200 |
3 |
0 |
0 |
0.179 |
15 |
|
[AS1]B:501 |
10 |
1 |
486 |
f |
D |
x,y,z |
1_555 |
14 |
8 |
19566 |
107.7 |
0.9 |
0.182 |
5 |
0 |
0 |
0.179 |
16 |
|
[AS1]A:501 |
10 |
1 |
479 |
f |
C |
x,y,z |
1_555 |
15 |
9 |
19579 |
104.8 |
0.5 |
0.151 |
5 |
0 |
0 |
0.179 |
| Average: |
109.8 |
0.7 |
0.178 |
4 |
0 |
0 |
0.179 |
| 9 |
17 |
|
D |
8 |
3 |
19566 |
◊ |
C |
-x+1/2,-y+1,z-1/2 |
2_564 |
8 |
3 |
19579 |
102.0 |
1.7 |
0.910 |
3 |
2 |
0 |
0.000 |
| 10 |
18 |
|
[PEG]A:504 |
6 |
1 |
256 |
f |
C |
x,y,z |
1_555 |
14 |
5 |
19579 |
90.7 |
1.8 |
0.278 |
3 |
0 |
0 |
0.000 |
| 11 |
19 |
|
[EDO]B:504 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
14 |
7 |
21381 |
88.6 |
4.4 |
0.346 |
3 |
0 |
0 |
0.000 |
| 12 |
20 |
|
[FUM]A:502 |
8 |
1 |
247 |
◊ |
A |
x,y,z |
1_555 |
11 |
5 |
21059 |
87.5 |
2.6 |
0.938 |
4 |
0 |
0 |
0.000 |
| 13 |
21 |
|
[FUM]A:502 |
8 |
1 |
247 |
◊ |
C |
x,y,z |
1_555 |
15 |
6 |
19579 |
86.1 |
2.8 |
0.953 |
5 |
0 |
0 |
0.000 |
| 14 |
22 |
|
[EDO]A:503 |
4 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
13 |
6 |
21059 |
85.1 |
1.9 |
0.272 |
1 |
0 |
0 |
0.000 |
| 15 |
23 |
|
[EDO]B:503 |
4 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
11 |
5 |
21381 |
70.4 |
2.5 |
0.304 |
0 |
0 |
0 |
0.000 |
| 16 |
24 |
|
[PEG]A:504 |
5 |
1 |
256 |
◊ |
A |
x,y,z |
1_555 |
10 |
4 |
21059 |
69.8 |
1.8 |
0.254 |
2 |
0 |
0 |
0.000 |
| 17 |
25 |
|
[EDO]C:502 |
4 |
1 |
183 |
◊ |
C |
x,y,z |
1_555 |
10 |
4 |
19579 |
65.5 |
2.7 |
0.320 |
0 |
0 |
0 |
0.000 |
| 18 |
26 |
|
[AS1]B:501 |
7 |
1 |
486 |
◊ |
A |
x,y,z |
1_555 |
8 |
3 |
21059 |
53.8 |
-0.2 |
0.136 |
1 |
0 |
0 |
0.042 |
27 |
|
[AS1]D:501 |
7 |
1 |
489 |
◊ |
C |
x,y,z |
1_555 |
7 |
3 |
19579 |
52.2 |
-0.1 |
0.154 |
1 |
0 |
0 |
0.042 |
| Average: |
53.0 |
-0.1 |
0.145 |
1 |
0 |
0 |
0.042 |
| 19 |
28 |
|
[AS1]A:501 |
8 |
1 |
479 |
◊ |
B |
x,y,z |
1_555 |
7 |
3 |
21381 |
53.0 |
-0.1 |
0.134 |
1 |
0 |
0 |
0.046 |
| 20 |
29 |
|
[EDO]C:502 |
4 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
6 |
3 |
21381 |
47.6 |
1.5 |
0.931 |
3 |
0 |
0 |
0.000 |
| 21 |
30 |
|
[FUM]A:502 |
4 |
1 |
247 |
f |
D |
x,y,z |
1_555 |
6 |
2 |
19566 |
40.3 |
0.4 |
0.613 |
1 |
0 |
0 |
0.004 |
| 22 |
31 |
|
[EDO]B:503 |
3 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
4 |
3 |
19579 |
40.0 |
1.2 |
0.913 |
2 |
0 |
0 |
0.000 |
| 23 |
32 |
|
[EDO]A:503 |
2 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
4 |
1 |
21381 |
32.8 |
1.0 |
0.931 |
1 |
0 |
0 |
0.000 |
| 24 |
33 |
|
[EDO]C:502 |
3 |
1 |
183 |
◊ |
[EDO]B:503 |
x,y,z |
1_555 |
3 |
1 |
185 |
32.6 |
1.3 |
1.000 |
0 |
0 |
0 |
0.000 |
| 25 |
34 |
|
[PEG]A:504 |
1 |
1 |
256 |
f |
[AS1]A:501 |
x,y,z |
1_555 |
3 |
1 |
479 |
9.7 |
-0.2 |
0.148 |
0 |
0 |
0 |
0.014 |
| 26 |
35 |
|
B |
2 |
1 |
21381 |
◊ |
A |
-x+1/2,-y+1,z-1/2 |
2_564 |
3 |
2 |
21059 |
6.7 |
0.0 |
0.641 |
0 |
0 |
0 |
0.000 |
| 27 |
36 |
|
B |
1 |
1 |
21381 |
◊ |
C |
-x+1/2,-y+1,z-1/2 |
2_564 |
2 |
1 |
19579 |
4.2 |
0.1 |
0.726 |
0 |
0 |
0 |
0.000 |
| 28 |
37 |
|
[PEG]A:504 |
1 |
1 |
256 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
21381 |
2.4 |
0.2 |
0.345 |
0 |
0 |
0 |
0.000 |
|