| ## |
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 |
|
D |
99 |
25 |
9848 |
◊ |
C |
x,y,z |
1_555 |
96 |
26 |
9835 |
996.9 |
-9.3 |
0.131 |
18 |
0 |
0 |
0.356 |
2 |
|
B |
96 |
26 |
9802 |
◊ |
A |
x,y,z |
1_555 |
100 |
27 |
9851 |
995.4 |
-9.0 |
0.151 |
19 |
0 |
0 |
0.356 |
| Average: |
996.1 |
-9.1 |
0.141 |
19 |
0 |
0 |
0.356 |
| 2 |
3 |
|
D |
59 |
19 |
9848 |
◊ |
A |
x,y,z |
1_555 |
58 |
19 |
9851 |
661.6 |
-3.5 |
0.351 |
8 |
4 |
0 |
0.139 |
4 |
|
C |
59 |
19 |
9835 |
◊ |
B |
x,y,z |
1_555 |
58 |
19 |
9802 |
649.8 |
-5.2 |
0.221 |
6 |
2 |
0 |
0.139 |
| Average: |
655.7 |
-4.4 |
0.286 |
7 |
3 |
0 |
0.139 |
| 3 |
5 |
|
A |
32 |
14 |
9851 |
◊ |
B |
-x,y-1/2,-z |
2_545 |
27 |
12 |
9802 |
269.8 |
-2.4 |
0.319 |
3 |
0 |
0 |
0.000 |
6 |
|
C |
26 |
12 |
9835 |
◊ |
D |
-x,y-1/2,-z+1 |
2_546 |
32 |
15 |
9848 |
268.8 |
-2.2 |
0.323 |
4 |
0 |
0 |
0.000 |
| Average: |
269.3 |
-2.3 |
0.321 |
4 |
0 |
0 |
0.000 |
| 4 |
7 |
|
C |
22 |
9 |
9835 |
◊ |
D |
x-1,y,z |
1_455 |
24 |
10 |
9848 |
156.2 |
0.5 |
0.663 |
3 |
0 |
0 |
0.000 |
8 |
|
B |
23 |
10 |
9802 |
◊ |
A |
x-1,y,z |
1_455 |
20 |
8 |
9851 |
146.8 |
0.5 |
0.676 |
2 |
0 |
0 |
0.000 |
| Average: |
151.5 |
0.5 |
0.670 |
3 |
0 |
0 |
0.000 |
| 5 |
9 |
|
[MAN]A:240 |
11 |
1 |
299 |
f |
A |
x,y,z |
1_555 |
23 |
10 |
9851 |
154.5 |
1.8 |
0.321 |
7 |
0 |
0 |
0.073 |
10 |
|
[MAN]D:240 |
11 |
1 |
297 |
f |
D |
x,y,z |
1_555 |
25 |
10 |
9848 |
154.5 |
1.9 |
0.314 |
9 |
0 |
0 |
0.073 |
11 |
|
[MAN]C:240 |
11 |
1 |
299 |
f |
C |
x,y,z |
1_555 |
24 |
10 |
9835 |
143.5 |
1.7 |
0.310 |
7 |
0 |
0 |
0.073 |
| Average: |
150.8 |
1.8 |
0.315 |
8 |
0 |
0 |
0.073 |
| 6 |
12 |
|
[MAN]B:240 |
11 |
1 |
297 |
f |
B |
x,y,z |
1_555 |
25 |
10 |
9802 |
142.3 |
1.7 |
0.321 |
8 |
0 |
0 |
0.038 |
| 7 |
13 |
|
[MAN]D:242 |
11 |
1 |
294 |
f |
D |
x,y,z |
1_555 |
18 |
6 |
9848 |
118.0 |
1.6 |
0.285 |
5 |
0 |
0 |
0.013 |
| 8 |
14 |
|
[MAN]A:242 |
10 |
1 |
298 |
f |
A |
x,y,z |
1_555 |
15 |
5 |
9851 |
110.6 |
1.6 |
0.276 |
4 |
0 |
0 |
0.005 |
| 9 |
15 |
|
[MAN]B:242 |
10 |
1 |
298 |
f |
B |
x,y,z |
1_555 |
16 |
5 |
9802 |
110.5 |
1.6 |
0.348 |
3 |
0 |
0 |
0.000 |
16 |
|
[MAN]C:242 |
10 |
1 |
296 |
f |
C |
x,y,z |
1_555 |
16 |
5 |
9835 |
107.8 |
1.6 |
0.293 |
3 |
0 |
0 |
0.000 |
| Average: |
109.1 |
1.6 |
0.320 |
3 |
0 |
0 |
0.000 |
| 10 |
17 |
|
[MMA]B:241 |
7 |
1 |
309 |
f |
B |
x,y,z |
1_555 |
15 |
6 |
9802 |
102.0 |
1.4 |
0.304 |
1 |
0 |
0 |
0.000 |
| 11 |
18 |
|
[MMA]A:241 |
7 |
1 |
308 |
f |
A |
x,y,z |
1_555 |
15 |
6 |
9851 |
101.9 |
1.5 |
0.312 |
2 |
0 |
0 |
0.000 |
| 12 |
19 |
|
[MMA]C:241 |
7 |
1 |
304 |
f |
C |
x,y,z |
1_555 |
14 |
6 |
9835 |
97.6 |
1.1 |
0.306 |
1 |
0 |
0 |
0.000 |
| 13 |
20 |
|
[MMA]D:241 |
8 |
1 |
309 |
f |
D |
x,y,z |
1_555 |
13 |
6 |
9848 |
96.9 |
1.4 |
0.267 |
2 |
0 |
0 |
0.000 |
| 14 |
21 |
|
C |
11 |
6 |
9835 |
◊ |
A |
x-1,y,z |
1_455 |
9 |
6 |
9851 |
85.5 |
1.8 |
0.871 |
0 |
0 |
0 |
0.000 |
| 15 |
22 |
|
[MMA]C:241 |
6 |
1 |
304 |
cf |
[MAN]C:242 |
x,y,z |
1_555 |
8 |
1 |
296 |
63.5 |
2.6 |
0.181 |
0 |
0 |
0 |
0.000 |
23 |
|
[MMA]A:241 |
7 |
1 |
308 |
cf |
[MAN]A:242 |
x,y,z |
1_555 |
8 |
1 |
298 |
60.5 |
2.5 |
0.141 |
0 |
0 |
0 |
0.000 |
24 |
|
[MMA]B:241 |
6 |
1 |
309 |
cf |
[MAN]B:242 |
x,y,z |
1_555 |
7 |
1 |
298 |
58.0 |
2.4 |
0.188 |
0 |
0 |
0 |
0.000 |
| Average: |
60.7 |
2.5 |
0.170 |
0 |
0 |
0 |
0.000 |
| 16 |
25 |
|
[MN]A:238 |
1 |
1 |
123 |
f |
A |
x,y,z |
1_555 |
14 |
9 |
9851 |
63.3 |
-6.7 |
0.000 |
0 |
0 |
0 |
0.275 |
26 |
|
[MN]B:238 |
1 |
1 |
123 |
f |
C |
x,y,z |
1_555 |
12 |
7 |
9835 |
60.6 |
-6.7 |
0.000 |
0 |
0 |
0 |
0.275 |
27 |
|
[MN]C:238 |
1 |
1 |
123 |
f |
D |
x,y,z |
1_555 |
11 |
7 |
9848 |
60.5 |
-5.8 |
0.000 |
0 |
0 |
0 |
0.275 |
28 |
|
[MN]D:238 |
1 |
1 |
123 |
f |
B |
x,y,z |
1_555 |
10 |
7 |
9802 |
60.2 |
-6.8 |
0.000 |
0 |
0 |
0 |
0.275 |
| Average: |
61.2 |
-6.5 |
0.000 |
0 |
0 |
0 |
0.275 |
| 17 |
29 |
|
[MMA]A:241 |
5 |
1 |
308 |
cf |
[MAN]A:240 |
x,y,z |
1_555 |
6 |
1 |
299 |
62.5 |
2.5 |
0.236 |
0 |
0 |
0 |
0.000 |
30 |
|
[MMA]B:241 |
5 |
1 |
309 |
cf |
[MAN]B:240 |
x,y,z |
1_555 |
6 |
1 |
297 |
58.6 |
2.4 |
0.246 |
0 |
0 |
0 |
0.000 |
| Average: |
60.6 |
2.4 |
0.241 |
0 |
0 |
0 |
0.000 |
| 18 |
31 |
|
C |
9 |
3 |
9835 |
◊ |
D |
x,y-1,z |
1_545 |
5 |
2 |
9848 |
58.7 |
-0.8 |
0.340 |
0 |
0 |
0 |
0.000 |
32 |
|
A |
5 |
2 |
9851 |
◊ |
B |
x,y-1,z |
1_545 |
8 |
3 |
9802 |
52.3 |
-0.8 |
0.325 |
0 |
0 |
0 |
0.000 |
| Average: |
55.5 |
-0.8 |
0.333 |
0 |
0 |
0 |
0.000 |
| 19 |
33 |
|
[MMA]C:241 |
5 |
1 |
304 |
cf |
[MAN]C:240 |
x,y,z |
1_555 |
6 |
1 |
299 |
57.6 |
2.4 |
0.280 |
0 |
0 |
0 |
0.000 |
| 20 |
34 |
|
[MMA]D:241 |
5 |
1 |
309 |
cf |
[MAN]D:240 |
x,y,z |
1_555 |
6 |
1 |
297 |
57.2 |
2.3 |
0.215 |
0 |
0 |
0 |
0.000 |
| 21 |
35 |
|
[MMA]D:241 |
5 |
1 |
309 |
cf |
[MAN]D:242 |
x,y,z |
1_555 |
7 |
1 |
294 |
56.9 |
2.2 |
0.218 |
0 |
0 |
0 |
0.000 |
| 22 |
36 |
|
[CA]D:239 |
1 |
1 |
85 |
f |
B |
x,y,z |
1_555 |
12 |
7 |
9802 |
41.7 |
-11.0 |
0.000 |
0 |
0 |
0 |
0.451 |
37 |
|
[CA]A:239 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
9 |
5 |
9851 |
40.5 |
-11.0 |
0.000 |
0 |
0 |
0 |
0.451 |
38 |
|
[CA]B:239 |
1 |
1 |
85 |
f |
C |
x,y,z |
1_555 |
11 |
6 |
9835 |
40.5 |
-10.9 |
0.000 |
0 |
0 |
0 |
0.451 |
39 |
|
[CA]C:239 |
1 |
1 |
85 |
f |
D |
x,y,z |
1_555 |
9 |
5 |
9848 |
40.1 |
-11.0 |
0.000 |
0 |
0 |
0 |
0.451 |
| Average: |
40.7 |
-11.0 |
0.000 |
0 |
0 |
0 |
0.451 |
| 23 |
40 |
|
A |
3 |
1 |
9851 |
◊ |
[MAN]B:240 |
-x,y-1/2,-z |
2_545 |
3 |
1 |
297 |
37.1 |
0.5 |
0.432 |
1 |
0 |
0 |
0.000 |
41 |
|
[MAN]C:240 |
3 |
1 |
299 |
◊ |
D |
-x,y-1/2,-z+1 |
2_546 |
3 |
1 |
9848 |
36.1 |
0.5 |
0.431 |
1 |
0 |
0 |
0.000 |
| Average: |
36.6 |
0.5 |
0.431 |
1 |
0 |
0 |
0.000 |
| 24 |
42 |
|
[CA]B:239 |
1 |
1 |
85 |
f |
[MN]B:238 |
x,y,z |
1_555 |
1 |
1 |
123 |
12.1 |
-2.4 |
0.000 |
0 |
0 |
0 |
0.049 |
| 25 |
43 |
|
[CA]D:239 |
1 |
1 |
85 |
f |
[MN]D:238 |
x,y,z |
1_555 |
1 |
1 |
123 |
11.3 |
-2.3 |
0.000 |
0 |
0 |
0 |
0.046 |
| 26 |
44 |
|
[CA]A:239 |
1 |
1 |
85 |
f |
[MN]A:238 |
x,y,z |
1_555 |
1 |
1 |
123 |
11.3 |
-2.3 |
0.000 |
0 |
0 |
0 |
0.046 |
| 27 |
45 |
|
[CA]C:239 |
1 |
1 |
85 |
f |
[MN]C:238 |
x,y,z |
1_555 |
1 |
1 |
123 |
11.0 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.046 |
| 28 |
46 |
|
[MAN]C:242 |
1 |
1 |
296 |
f |
[MAN]C:240 |
x,y,z |
1_555 |
2 |
1 |
299 |
7.8 |
0.3 |
0.210 |
0 |
0 |
0 |
0.000 |
| 29 |
47 |
|
[MAN]B:242 |
1 |
1 |
298 |
f |
[MAN]B:240 |
x,y,z |
1_555 |
2 |
1 |
297 |
7.0 |
0.2 |
0.257 |
0 |
0 |
0 |
0.000 |
48 |
|
[MAN]A:242 |
1 |
1 |
298 |
f |
[MAN]A:240 |
x,y,z |
1_555 |
2 |
1 |
299 |
5.4 |
0.2 |
0.210 |
0 |
0 |
0 |
0.000 |
| Average: |
6.2 |
0.2 |
0.233 |
0 |
0 |
0 |
0.000 |
| 30 |
49 |
|
A |
2 |
1 |
9851 |
◊ |
D |
x,y-1,z |
1_545 |
2 |
1 |
9848 |
3.3 |
0.0 |
0.609 |
0 |
0 |
0 |
0.000 |
| 31 |
50 |
|
[MAN]D:242 |
1 |
1 |
294 |
f |
[MAN]D:240 |
x,y,z |
1_555 |
1 |
1 |
297 |
3.2 |
0.1 |
0.167 |
0 |
0 |
0 |
0.000 |
| 32 |
51 |
|
[MMA]C:241 |
1 |
1 |
304 |
◊ |
D |
-x,y-1/2,-z+1 |
2_546 |
1 |
1 |
9848 |
0.7 |
-0.1 |
0.384 |
0 |
0 |
0 |
0.000 |
52 |
|
A |
1 |
1 |
9851 |
◊ |
[MMA]B:241 |
-x,y-1/2,-z |
2_545 |
1 |
1 |
309 |
0.6 |
0.0 |
0.428 |
0 |
0 |
0 |
0.000 |
| Average: |
0.7 |
-0.0 |
0.406 |
0 |
0 |
0 |
0.000 |
|