| ## |
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 |
45 |
16 |
18951 |
◊ |
B |
x-1,y-1,z |
1_445 |
48 |
16 |
18398 |
405.2 |
-1.5 |
0.479 |
6 |
1 |
0 |
0.000 |
| 2 |
2 |
|
B |
50 |
14 |
18398 |
◊ |
A |
x,y,z |
1_555 |
51 |
14 |
18951 |
390.3 |
-2.1 |
0.431 |
1 |
0 |
0 |
0.000 |
| 3 |
3 |
|
A |
25 |
10 |
18951 |
◊ |
B |
x,y-1,z-1 |
1_544 |
24 |
8 |
18398 |
250.0 |
-1.2 |
0.369 |
5 |
0 |
0 |
0.000 |
| 4 |
4 |
|
[MES]A:1000 |
11 |
1 |
340 |
◊ |
A |
x,y,z |
1_555 |
33 |
10 |
18951 |
194.1 |
5.5 |
0.338 |
0 |
0 |
0 |
0.000 |
| 5 |
5 |
|
A |
15 |
5 |
18951 |
◊ |
B |
x-1,y-2,z-1 |
1_434 |
16 |
6 |
18398 |
176.6 |
3.3 |
0.946 |
4 |
0 |
0 |
0.000 |
| 6 |
6 |
|
A |
17 |
7 |
18951 |
◊ |
B |
x,y-1,z |
1_545 |
23 |
11 |
18398 |
169.9 |
0.6 |
0.693 |
3 |
2 |
0 |
0.000 |
| 7 |
7 |
|
[PEG]B:801 |
7 |
1 |
270 |
f |
B |
x,y,z |
1_555 |
21 |
8 |
18398 |
147.0 |
3.0 |
0.352 |
3 |
0 |
0 |
0.000 |
8 |
|
[PEG]A:800 |
7 |
1 |
269 |
f |
A |
x,y,z |
1_555 |
22 |
7 |
18951 |
141.4 |
2.7 |
0.348 |
2 |
0 |
0 |
0.000 |
| Average: |
144.2 |
2.9 |
0.350 |
3 |
0 |
0 |
0.000 |
| 8 |
9 |
|
A |
17 |
7 |
18951 |
◊ |
B |
x-1,y-1,z-1 |
1_444 |
21 |
7 |
18398 |
133.5 |
-0.0 |
0.588 |
1 |
0 |
0 |
0.000 |
| 9 |
10 |
|
[EDO]B:906 |
4 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
16 |
8 |
18398 |
115.0 |
3.6 |
0.524 |
2 |
0 |
0 |
0.000 |
| 10 |
11 |
|
[EDO]B:905 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
19 |
10 |
18398 |
110.9 |
4.1 |
0.645 |
4 |
0 |
0 |
0.000 |
| 11 |
12 |
|
[EDO]A:902 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
22 |
10 |
18951 |
110.7 |
3.5 |
0.610 |
4 |
0 |
0 |
0.000 |
| 12 |
13 |
|
[EDO]B:904 |
4 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
18 |
8 |
18398 |
109.2 |
2.6 |
0.315 |
0 |
0 |
0 |
0.000 |
| 13 |
14 |
|
[EDO]A:901 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
18 |
9 |
18951 |
107.6 |
2.3 |
0.306 |
1 |
0 |
0 |
0.000 |
| 14 |
15 |
|
[EDO]B:912 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
20 |
9 |
18398 |
103.6 |
3.7 |
0.504 |
2 |
0 |
0 |
0.000 |
| 15 |
16 |
|
[EDO]A:907 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
18 |
9 |
18951 |
101.9 |
3.5 |
0.542 |
4 |
0 |
0 |
0.000 |
| 16 |
17 |
|
[EDO]B:908 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
18 |
9 |
18398 |
99.4 |
3.5 |
0.544 |
4 |
0 |
0 |
0.000 |
| 17 |
18 |
|
B |
8 |
2 |
18398 |
x |
B |
x,y-1,z |
1_545 |
8 |
2 |
18398 |
98.9 |
1.9 |
0.910 |
4 |
0 |
0 |
0.000 |
| 18 |
19 |
|
[EDO]B:909 |
4 |
1 |
186 |
◊ |
B |
x,y,z |
1_555 |
11 |
5 |
18398 |
77.8 |
2.3 |
0.263 |
0 |
0 |
0 |
0.000 |
| 19 |
20 |
|
[EDO]B:910 |
4 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
12 |
5 |
18398 |
75.7 |
2.0 |
0.270 |
3 |
0 |
0 |
0.000 |
| 20 |
21 |
|
A |
9 |
5 |
18951 |
◊ |
[EDO]B:911 |
x,y-1,z-1 |
1_544 |
4 |
1 |
185 |
74.0 |
1.7 |
0.181 |
0 |
0 |
0 |
0.000 |
| 21 |
22 |
|
[EDO]A:903 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
8 |
4 |
18951 |
56.8 |
1.3 |
0.721 |
1 |
0 |
0 |
0.000 |
| 22 |
23 |
|
A |
10 |
4 |
18951 |
f |
[EDO]B:909 |
x-1,y-1,z |
1_445 |
4 |
1 |
186 |
47.1 |
1.2 |
0.715 |
0 |
0 |
0 |
0.000 |
| 23 |
24 |
|
[EDO]B:911 |
3 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
9 |
6 |
18398 |
44.1 |
1.5 |
0.263 |
0 |
0 |
0 |
0.000 |
| 24 |
25 |
|
[EDO]A:903 |
3 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
4 |
1 |
18398 |
43.3 |
0.8 |
0.116 |
0 |
0 |
0 |
0.000 |
| 25 |
26 |
|
[EDO]B:908 |
4 |
1 |
184 |
f |
[PEG]B:801 |
x,y,z |
1_555 |
5 |
1 |
270 |
40.2 |
2.1 |
0.392 |
0 |
0 |
0 |
0.000 |
27 |
|
[EDO]A:907 |
4 |
1 |
185 |
f |
[PEG]A:800 |
x,y,z |
1_555 |
3 |
1 |
269 |
37.2 |
1.8 |
0.551 |
0 |
0 |
0 |
0.000 |
| Average: |
38.7 |
2.0 |
0.471 |
0 |
0 |
0 |
0.000 |
| 26 |
28 |
|
[CA]B:700 |
1 |
1 |
85 |
f |
B |
x,y,z |
1_555 |
9 |
7 |
18398 |
28.6 |
-7.1 |
0.000 |
0 |
0 |
0 |
1.000 |
29 |
|
[CA]A:600 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
8 |
6 |
18951 |
27.8 |
-7.0 |
0.000 |
0 |
0 |
0 |
1.000 |
| Average: |
28.2 |
-7.1 |
0.000 |
0 |
0 |
0 |
1.000 |
| 27 |
30 |
|
[MES]A:1000 |
3 |
1 |
340 |
f |
B |
x,y-1,z |
1_545 |
2 |
1 |
18398 |
27.5 |
0.1 |
0.078 |
0 |
0 |
0 |
0.000 |
| 28 |
31 |
|
A |
3 |
1 |
18951 |
f |
[EDO]B:910 |
x,y-1,z-1 |
1_544 |
3 |
1 |
184 |
26.0 |
0.4 |
0.803 |
0 |
0 |
0 |
0.000 |
| 29 |
32 |
|
[EDO]B:908 |
3 |
1 |
184 |
f |
[CA]B:700 |
x,y,z |
1_555 |
1 |
1 |
85 |
20.7 |
-2.6 |
0.000 |
0 |
0 |
0 |
0.549 |
33 |
|
[EDO]A:907 |
3 |
1 |
185 |
f |
[CA]A:600 |
x,y,z |
1_555 |
1 |
1 |
85 |
20.7 |
-2.5 |
0.000 |
0 |
0 |
0 |
0.549 |
| Average: |
20.7 |
-2.6 |
0.000 |
0 |
0 |
0 |
0.549 |
| 30 |
34 |
|
[PEG]A:800 |
2 |
1 |
269 |
f |
[CA]A:600 |
x,y,z |
1_555 |
1 |
1 |
85 |
20.7 |
-2.5 |
0.000 |
0 |
0 |
0 |
0.549 |
35 |
|
[PEG]B:801 |
2 |
1 |
270 |
f |
[CA]B:700 |
x,y,z |
1_555 |
1 |
1 |
85 |
20.6 |
-2.4 |
0.000 |
0 |
0 |
0 |
0.549 |
| Average: |
20.7 |
-2.5 |
0.000 |
0 |
0 |
0 |
0.549 |
| 31 |
36 |
|
[EDO]A:902 |
2 |
1 |
184 |
f |
[EDO]A:901 |
x,y,z |
1_555 |
1 |
1 |
185 |
14.0 |
0.4 |
1.000 |
0 |
0 |
0 |
0.000 |
| 32 |
37 |
|
[EDO]A:902 |
1 |
1 |
184 |
f |
[PEG]A:800 |
x,y,z |
1_555 |
2 |
1 |
269 |
13.2 |
0.6 |
0.571 |
0 |
0 |
0 |
0.000 |
| 33 |
38 |
|
B |
2 |
1 |
18398 |
x |
B |
x-1,y-1,z |
1_445 |
1 |
1 |
18398 |
4.7 |
0.1 |
0.681 |
0 |
0 |
0 |
0.000 |
|