## |
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 |
85 |
27 |
8066 |
◊ |
A |
x-1/2,-y+5/2,-z+2 |
4_477 |
84 |
27 |
7964 |
736.0 |
1.5 |
0.620 |
11 |
7 |
0 |
0.000 |
2 |
2 |
|
B |
31 |
10 |
8066 |
◊ |
A |
x,y,z |
1_555 |
42 |
12 |
7964 |
318.2 |
2.2 |
0.707 |
3 |
0 |
0 |
0.000 |
3 |
|
B |
34 |
11 |
8066 |
◊ |
A |
-x+7/2,-y+3,z-1/2 |
2_884 |
32 |
9 |
7964 |
304.2 |
2.2 |
0.695 |
2 |
0 |
0 |
0.000 |
Average: |
311.2 |
2.2 |
0.701 |
3 |
0 |
0 |
0.000 |
3 |
4 |
|
[NAG]B:2401 |
15 |
1 |
368 |
◊ |
B |
x,y,z |
1_555 |
32 |
13 |
8066 |
230.7 |
2.3 |
0.250 |
1 |
0 |
0 |
0.000 |
4 |
5 |
|
[NAG]A:1401 |
15 |
1 |
367 |
◊ |
A |
x,y,z |
1_555 |
32 |
13 |
7964 |
205.3 |
1.8 |
0.207 |
3 |
0 |
0 |
0.000 |
5 |
6 |
|
[NAG]B:2406 |
14 |
1 |
364 |
◊ |
A |
-x+7/2,-y+3,z-1/2 |
2_884 |
41 |
19 |
7964 |
205.2 |
5.2 |
0.439 |
4 |
0 |
0 |
0.000 |
7 |
|
[NAG]A:1406 |
14 |
1 |
363 |
◊ |
B |
x,y,z |
1_555 |
37 |
15 |
8066 |
201.8 |
4.9 |
0.426 |
4 |
0 |
0 |
0.000 |
Average: |
203.5 |
5.0 |
0.433 |
4 |
0 |
0 |
0.000 |
6 |
8 |
|
[NAG]A:1402 |
14 |
1 |
364 |
◊ |
A |
x,y,z |
1_555 |
34 |
12 |
7964 |
193.2 |
4.5 |
0.427 |
2 |
0 |
0 |
0.000 |
9 |
|
[NAG]B:2402 |
14 |
1 |
363 |
◊ |
B |
x,y,z |
1_555 |
29 |
10 |
8066 |
188.3 |
4.2 |
0.431 |
3 |
0 |
0 |
0.000 |
Average: |
190.7 |
4.3 |
0.429 |
3 |
0 |
0 |
0.000 |
7 |
10 |
|
[NAG]A:1403 |
13 |
1 |
365 |
◊ |
A |
x,y,z |
1_555 |
23 |
8 |
7964 |
153.1 |
3.0 |
0.281 |
3 |
0 |
0 |
0.000 |
8 |
11 |
|
[NAG]B:2403 |
13 |
1 |
360 |
◊ |
B |
x,y,z |
1_555 |
22 |
7 |
8066 |
147.7 |
3.0 |
0.263 |
2 |
0 |
0 |
0.000 |
9 |
12 |
|
[NAG]A:1405 |
12 |
1 |
364 |
◊ |
B |
x,y,z |
1_555 |
24 |
10 |
8066 |
127.2 |
1.7 |
0.225 |
1 |
0 |
0 |
0.000 |
13 |
|
[NAG]B:2405 |
11 |
1 |
362 |
◊ |
A |
-x+7/2,-y+3,z-1/2 |
2_884 |
25 |
10 |
7964 |
123.9 |
1.6 |
0.213 |
1 |
0 |
0 |
0.000 |
Average: |
125.5 |
1.7 |
0.219 |
1 |
0 |
0 |
0.000 |
10 |
14 |
|
[NAG]B:2404 |
10 |
1 |
361 |
◊ |
B |
x,y,z |
1_555 |
17 |
6 |
8066 |
118.4 |
3.7 |
0.476 |
1 |
0 |
0 |
0.000 |
15 |
|
[NAG]A:1404 |
10 |
1 |
363 |
◊ |
A |
x,y,z |
1_555 |
17 |
6 |
7964 |
117.5 |
3.7 |
0.474 |
1 |
0 |
0 |
0.000 |
Average: |
117.9 |
3.7 |
0.475 |
1 |
0 |
0 |
0.000 |
11 |
16 |
|
A |
16 |
7 |
7964 |
◊ |
B |
x-1/2,-y+5/2,-z+2 |
4_477 |
9 |
4 |
8066 |
109.0 |
0.4 |
0.418 |
0 |
0 |
0 |
0.000 |
12 |
17 |
|
[SO4]A:201 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
15 |
6 |
7964 |
87.4 |
-14.3 |
0.588 |
3 |
0 |
0 |
0.051 |
13 |
18 |
|
[SO4]A:200 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
11 |
5 |
7964 |
86.4 |
-13.1 |
0.770 |
4 |
0 |
0 |
0.049 |
14 |
19 |
|
[SO4]B:202 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
12 |
6 |
8066 |
83.5 |
-12.5 |
0.542 |
4 |
0 |
0 |
0.053 |
15 |
20 |
|
B |
11 |
5 |
8066 |
f |
[SO4]A:203 |
-x+7/2,-y+3,z-1/2 |
2_884 |
5 |
1 |
186 |
82.6 |
-11.8 |
0.753 |
2 |
0 |
0 |
0.047 |
16 |
21 |
|
[NAG]A:1406 |
9 |
1 |
363 |
cf |
[NAG]A:1405 |
x,y,z |
1_555 |
7 |
1 |
364 |
74.8 |
1.4 |
0.087 |
1 |
0 |
0 |
0.000 |
22 |
|
[NAG]B:2406 |
9 |
1 |
364 |
cf |
[NAG]B:2405 |
x,y,z |
1_555 |
7 |
1 |
362 |
74.6 |
1.7 |
0.083 |
1 |
0 |
0 |
0.000 |
Average: |
74.7 |
1.6 |
0.085 |
1 |
0 |
0 |
0.000 |
17 |
23 |
|
[NAG]A:1404 |
9 |
1 |
363 |
cf |
[NAG]A:1403 |
x,y,z |
1_555 |
7 |
1 |
365 |
73.7 |
1.2 |
0.086 |
0 |
0 |
0 |
0.000 |
24 |
|
[NAG]A:1405 |
10 |
1 |
364 |
cf |
[NAG]A:1404 |
x,y,z |
1_555 |
7 |
1 |
363 |
71.4 |
1.2 |
0.073 |
0 |
0 |
0 |
0.000 |
25 |
|
[NAG]B:2405 |
10 |
1 |
362 |
cf |
[NAG]B:2404 |
x,y,z |
1_555 |
6 |
1 |
361 |
71.2 |
1.5 |
0.085 |
0 |
0 |
0 |
0.000 |
26 |
|
[NAG]B:2404 |
10 |
1 |
361 |
cf |
[NAG]B:2403 |
x,y,z |
1_555 |
6 |
1 |
360 |
68.8 |
1.5 |
0.089 |
0 |
0 |
0 |
0.000 |
Average: |
71.3 |
1.3 |
0.083 |
0 |
0 |
0 |
0.000 |
18 |
27 |
|
[NAG]B:2403 |
8 |
1 |
360 |
cf |
[NAG]B:2402 |
x,y,z |
1_555 |
7 |
1 |
363 |
72.5 |
2.1 |
0.122 |
1 |
0 |
0 |
0.000 |
19 |
28 |
|
[SO4]B:202 |
5 |
1 |
186 |
◊ |
A |
x,y,z |
1_555 |
11 |
6 |
7964 |
68.1 |
-7.5 |
0.901 |
4 |
0 |
0 |
0.000 |
20 |
29 |
|
[NAG]A:1403 |
9 |
1 |
365 |
cf |
[NAG]A:1402 |
x,y,z |
1_555 |
7 |
1 |
364 |
68.0 |
1.6 |
0.092 |
0 |
0 |
0 |
0.000 |
30 |
|
[NAG]A:1402 |
9 |
1 |
364 |
cf |
[NAG]A:1401 |
x,y,z |
1_555 |
7 |
1 |
367 |
65.2 |
1.1 |
0.077 |
0 |
0 |
0 |
0.000 |
31 |
|
[NAG]B:2402 |
10 |
1 |
363 |
cf |
[NAG]B:2401 |
x,y,z |
1_555 |
5 |
1 |
368 |
64.4 |
1.3 |
0.103 |
1 |
0 |
0 |
0.000 |
Average: |
65.8 |
1.3 |
0.091 |
0 |
0 |
0 |
0.000 |
21 |
32 |
|
[NAG]B:2404 |
5 |
1 |
361 |
◊ |
A |
-x+7/2,-y+3,z-1/2 |
2_884 |
8 |
2 |
7964 |
61.1 |
1.0 |
0.373 |
1 |
0 |
0 |
0.000 |
22 |
33 |
|
B |
8 |
5 |
8066 |
◊ |
[SO4]A:201 |
-x+7/2,-y+3,z-1/2 |
2_884 |
4 |
1 |
186 |
58.3 |
-6.9 |
0.885 |
2 |
0 |
0 |
0.000 |
23 |
34 |
|
[NAG]A:1404 |
6 |
1 |
363 |
◊ |
B |
x,y,z |
1_555 |
5 |
2 |
8066 |
56.0 |
2.3 |
0.428 |
1 |
0 |
0 |
0.000 |
24 |
35 |
|
A |
4 |
1 |
7964 |
x |
A |
x-1/2,-y+5/2,-z+2 |
4_477 |
5 |
2 |
7964 |
49.1 |
0.3 |
0.677 |
1 |
2 |
0 |
0.000 |
25 |
36 |
|
[NAG]A:1405 |
4 |
1 |
364 |
◊ |
A |
x,y,z |
1_555 |
9 |
4 |
7964 |
46.7 |
1.5 |
0.534 |
0 |
0 |
0 |
0.000 |
26 |
37 |
|
[SO4]A:200 |
4 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
5 |
2 |
8066 |
45.9 |
-5.7 |
0.813 |
1 |
0 |
0 |
0.000 |
27 |
38 |
|
[NAG]B:2405 |
4 |
1 |
362 |
◊ |
B |
x,y,z |
1_555 |
7 |
1 |
8066 |
44.0 |
1.2 |
0.500 |
0 |
0 |
0 |
0.000 |
28 |
39 |
|
B |
7 |
3 |
8066 |
x |
B |
-x+3,y-1/2,-z+3/2 |
3_846 |
2 |
1 |
8066 |
40.9 |
1.5 |
0.782 |
2 |
1 |
0 |
0.000 |
29 |
40 |
|
[NAG]B:2406 |
2 |
1 |
364 |
◊ |
[NAG]A:1401 |
-x+7/2,-y+3,z-1/2 |
2_884 |
4 |
1 |
367 |
19.3 |
-0.2 |
0.078 |
1 |
0 |
0 |
0.000 |
30 |
41 |
|
[NAG]B:2401 |
2 |
1 |
368 |
f |
[NAG]A:1406 |
x,y,z |
1_555 |
1 |
1 |
363 |
18.0 |
-0.3 |
0.175 |
1 |
0 |
0 |
0.000 |
31 |
42 |
|
[SO4]A:203 |
3 |
1 |
186 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
7964 |
13.0 |
-1.6 |
0.547 |
0 |
0 |
0 |
0.000 |
32 |
43 |
|
[SO4]B:202 |
1 |
1 |
186 |
◊ |
[SO4]A:200 |
x,y,z |
1_555 |
1 |
1 |
185 |
8.6 |
-2.1 |
0.800 |
0 |
0 |
0 |
0.000 |
33 |
44 |
|
[NAG]B:2403 |
1 |
1 |
360 |
◊ |
A |
-x+7/2,-y+3,z-1/2 |
2_884 |
2 |
1 |
7964 |
4.6 |
-0.0 |
0.319 |
0 |
0 |
0 |
0.000 |
45 |
|
[NAG]A:1403 |
1 |
1 |
365 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
8066 |
3.8 |
0.1 |
0.344 |
0 |
0 |
0 |
0.000 |
Average: |
4.2 |
0.0 |
0.332 |
0 |
0 |
0 |
0.000 |
|