## |
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 |
|
L |
201 |
58 |
11460 |
◊ |
H |
x,y,z |
1_555 |
188 |
50 |
12159 |
1737.0 |
-27.6 |
0.022 |
12 |
3 |
1 |
1.000 |
2 |
|
C |
198 |
58 |
11303 |
◊ |
B |
x,y,z |
1_555 |
181 |
49 |
12105 |
1721.4 |
-27.7 |
0.025 |
11 |
3 |
1 |
1.000 |
Average: |
1729.2 |
-27.6 |
0.023 |
12 |
3 |
1 |
1.000 |
2 |
3 |
|
B |
93 |
23 |
12105 |
◊ |
A |
x,y,z |
1_555 |
97 |
33 |
16455 |
904.8 |
-1.1 |
0.654 |
19 |
6 |
0 |
0.488 |
4 |
|
H |
88 |
22 |
12159 |
◊ |
G |
x,y,z |
1_555 |
100 |
32 |
16779 |
902.0 |
-1.1 |
0.668 |
18 |
6 |
0 |
0.488 |
Average: |
903.4 |
-1.1 |
0.661 |
19 |
6 |
0 |
0.488 |
3 |
5 |
|
G |
41 |
19 |
16779 |
◊ |
A |
x,y,z-1 |
1_554 |
49 |
16 |
16455 |
422.4 |
-4.2 |
0.255 |
3 |
0 |
0 |
0.000 |
6 |
|
G |
51 |
16 |
16779 |
◊ |
A |
x,y,z |
1_555 |
42 |
18 |
16455 |
408.5 |
-5.2 |
0.179 |
2 |
0 |
0 |
0.000 |
Average: |
415.5 |
-4.7 |
0.217 |
3 |
0 |
0 |
0.000 |
4 |
7 |
|
C |
28 |
8 |
11303 |
◊ |
H |
-x,y-1/2,-z-3 |
2_542 |
31 |
9 |
12159 |
313.6 |
-0.5 |
0.611 |
6 |
0 |
0 |
0.000 |
8 |
|
B |
32 |
9 |
12105 |
◊ |
L |
-x-1,y-1/2,-z-3 |
2_442 |
27 |
8 |
11460 |
300.4 |
-0.6 |
0.608 |
6 |
0 |
0 |
0.000 |
Average: |
307.0 |
-0.6 |
0.609 |
6 |
0 |
0 |
0.000 |
5 |
9 |
|
B |
33 |
8 |
12105 |
◊ |
G |
x,y,z |
1_555 |
29 |
6 |
16779 |
257.0 |
-0.5 |
0.435 |
3 |
4 |
0 |
0.000 |
10 |
|
H |
33 |
8 |
12159 |
◊ |
A |
x,y,z-1 |
1_554 |
25 |
6 |
16455 |
248.6 |
-0.7 |
0.391 |
4 |
4 |
0 |
0.000 |
Average: |
252.8 |
-0.6 |
0.413 |
4 |
4 |
0 |
0.000 |
6 |
11 |
|
C |
26 |
8 |
11303 |
◊ |
A |
x,y,z |
1_555 |
27 |
9 |
16455 |
240.6 |
-1.8 |
0.401 |
1 |
0 |
0 |
0.146 |
12 |
|
L |
26 |
9 |
11460 |
◊ |
G |
x,y,z |
1_555 |
27 |
9 |
16779 |
228.2 |
-2.1 |
0.353 |
2 |
0 |
0 |
0.146 |
Average: |
234.4 |
-1.9 |
0.377 |
2 |
0 |
0 |
0.146 |
7 |
13 |
|
[NAG]G:503 |
14 |
1 |
361 |
cf |
G |
x,y,z |
1_555 |
28 |
14 |
16779 |
229.7 |
6.1 |
0.499 |
2 |
0 |
0 |
0.000 |
14 |
|
[NAG]A:503 |
14 |
1 |
362 |
cf |
A |
x,y,z |
1_555 |
30 |
14 |
16455 |
221.0 |
5.4 |
0.490 |
1 |
0 |
0 |
0.000 |
Average: |
225.4 |
5.7 |
0.495 |
2 |
0 |
0 |
0.000 |
8 |
15 |
|
B |
21 |
7 |
12105 |
◊ |
L |
-x-1,y-1/2,-z-2 |
2_443 |
26 |
11 |
11460 |
224.5 |
-1.8 |
0.432 |
2 |
0 |
0 |
0.000 |
16 |
|
C |
25 |
11 |
11303 |
◊ |
H |
-x,y-1/2,-z-2 |
2_543 |
21 |
7 |
12159 |
222.5 |
-1.9 |
0.410 |
2 |
0 |
0 |
0.000 |
Average: |
223.5 |
-1.9 |
0.421 |
2 |
0 |
0 |
0.000 |
9 |
17 |
|
C |
25 |
8 |
11303 |
◊ |
L |
-x,y-1/2,-z-2 |
2_543 |
18 |
5 |
11460 |
209.7 |
1.6 |
0.732 |
6 |
1 |
0 |
0.000 |
18 |
|
C |
19 |
5 |
11303 |
◊ |
L |
-x-1,y-1/2,-z-2 |
2_443 |
25 |
8 |
11460 |
203.9 |
1.5 |
0.738 |
5 |
3 |
0 |
0.000 |
Average: |
206.8 |
1.5 |
0.735 |
6 |
2 |
0 |
0.000 |
10 |
19 |
|
[EPE]A:511 |
14 |
1 |
398 |
◊ |
A |
x,y,z |
1_555 |
30 |
11 |
16455 |
180.0 |
5.9 |
0.199 |
2 |
0 |
0 |
0.000 |
11 |
20 |
|
[EPE]G:511 |
13 |
1 |
400 |
◊ |
G |
x,y,z |
1_555 |
30 |
11 |
16779 |
178.9 |
6.2 |
0.327 |
2 |
0 |
0 |
0.000 |
12 |
21 |
|
[NAG]G:505 |
14 |
1 |
361 |
cf |
G |
x,y,z |
1_555 |
29 |
8 |
16779 |
175.9 |
4.4 |
0.403 |
3 |
0 |
0 |
0.000 |
22 |
|
[NAG]A:505 |
14 |
1 |
362 |
cf |
A |
x,y,z |
1_555 |
27 |
8 |
16455 |
165.2 |
3.7 |
0.345 |
2 |
0 |
0 |
0.000 |
Average: |
170.6 |
4.1 |
0.374 |
3 |
0 |
0 |
0.000 |
13 |
23 |
|
[NAG]A:501 |
11 |
1 |
360 |
cf |
A |
x,y,z |
1_555 |
19 |
9 |
16455 |
165.7 |
5.8 |
0.649 |
0 |
0 |
0 |
0.000 |
24 |
|
[NAG]G:501 |
10 |
1 |
362 |
cf |
G |
x,y,z |
1_555 |
21 |
10 |
16779 |
164.8 |
5.8 |
0.682 |
0 |
0 |
0 |
0.000 |
Average: |
165.3 |
5.8 |
0.665 |
0 |
0 |
0 |
0.000 |
14 |
25 |
|
[NAG]G:509 |
10 |
1 |
363 |
cf |
G |
x,y,z |
1_555 |
21 |
9 |
16779 |
157.8 |
3.2 |
0.417 |
1 |
0 |
0 |
0.000 |
15 |
26 |
|
[NAG]A:509 |
10 |
1 |
360 |
cf |
A |
x,y,z |
1_555 |
20 |
8 |
16455 |
152.9 |
3.2 |
0.384 |
2 |
0 |
0 |
0.000 |
16 |
27 |
|
[NAG]A:502 |
11 |
1 |
357 |
cf |
A |
x,y,z |
1_555 |
22 |
8 |
16455 |
143.2 |
3.4 |
0.401 |
0 |
0 |
0 |
0.000 |
17 |
28 |
|
[NAG]A:506 |
13 |
1 |
363 |
cf |
A |
x,y,z |
1_555 |
18 |
8 |
16455 |
142.3 |
3.6 |
0.372 |
2 |
0 |
0 |
0.000 |
18 |
29 |
|
[NAG]G:506 |
11 |
1 |
358 |
cf |
G |
x,y,z |
1_555 |
20 |
8 |
16779 |
141.5 |
4.0 |
0.477 |
3 |
0 |
0 |
0.000 |
19 |
30 |
|
[NAG]A:510 |
9 |
1 |
365 |
cf |
A |
x,y,z |
1_555 |
20 |
8 |
16455 |
139.2 |
4.0 |
0.534 |
1 |
0 |
0 |
0.000 |
20 |
31 |
|
G |
19 |
6 |
16779 |
f |
[EPE]A:511 |
x,y,z-1 |
1_554 |
9 |
1 |
398 |
136.1 |
3.5 |
0.148 |
4 |
0 |
0 |
0.000 |
21 |
32 |
|
[EPE]G:511 |
10 |
1 |
400 |
f |
A |
x,y,z |
1_555 |
20 |
6 |
16455 |
133.5 |
3.5 |
0.097 |
4 |
0 |
0 |
0.000 |
22 |
33 |
|
[NAG]C:301 |
12 |
1 |
363 |
cf |
C |
x,y,z |
1_555 |
19 |
7 |
11303 |
130.1 |
3.4 |
0.339 |
0 |
0 |
0 |
0.000 |
34 |
|
[NAG]L:301 |
10 |
1 |
363 |
cf |
L |
x,y,z |
1_555 |
19 |
7 |
11460 |
128.3 |
3.5 |
0.465 |
0 |
0 |
0 |
0.000 |
Average: |
129.2 |
3.4 |
0.402 |
0 |
0 |
0 |
0.000 |
23 |
35 |
|
[NAG]G:510 |
10 |
1 |
364 |
cf |
G |
x,y,z |
1_555 |
21 |
9 |
16779 |
128.8 |
3.7 |
0.412 |
1 |
0 |
0 |
0.000 |
24 |
36 |
|
[NAG]A:508 |
10 |
1 |
362 |
cf |
A |
x,y,z |
1_555 |
16 |
7 |
16455 |
123.0 |
3.3 |
0.430 |
0 |
0 |
0 |
0.000 |
37 |
|
[NAG]G:508 |
11 |
1 |
360 |
cf |
G |
x,y,z |
1_555 |
15 |
6 |
16779 |
122.0 |
3.4 |
0.397 |
0 |
0 |
0 |
0.000 |
Average: |
122.5 |
3.4 |
0.414 |
0 |
0 |
0 |
0.000 |
25 |
38 |
|
[NAG]A:504 |
10 |
1 |
362 |
◊ |
C |
x,y,z |
1_555 |
12 |
7 |
11303 |
122.7 |
2.0 |
0.306 |
2 |
0 |
0 |
0.000 |
39 |
|
[NAG]G:504 |
11 |
1 |
360 |
◊ |
L |
x,y,z |
1_555 |
13 |
7 |
11460 |
112.5 |
2.0 |
0.257 |
2 |
0 |
0 |
0.000 |
Average: |
117.6 |
2.0 |
0.282 |
2 |
0 |
0 |
0.000 |
26 |
40 |
|
[NAG]G:502 |
13 |
1 |
364 |
cf |
G |
x,y,z |
1_555 |
18 |
7 |
16779 |
114.0 |
2.8 |
0.276 |
1 |
0 |
0 |
0.000 |
27 |
41 |
|
[NAG]G:507 |
11 |
1 |
362 |
cf |
G |
x,y,z |
1_555 |
13 |
6 |
16779 |
111.2 |
1.8 |
0.226 |
0 |
0 |
0 |
0.000 |
42 |
|
[NAG]A:507 |
12 |
1 |
360 |
cf |
A |
x,y,z |
1_555 |
12 |
5 |
16455 |
105.8 |
3.0 |
0.303 |
2 |
0 |
0 |
0.000 |
Average: |
108.5 |
2.4 |
0.264 |
1 |
0 |
0 |
0.000 |
28 |
43 |
|
[NAG]G:504 |
10 |
1 |
360 |
cf |
G |
x,y,z |
1_555 |
13 |
6 |
16779 |
103.8 |
3.5 |
0.451 |
0 |
0 |
0 |
0.000 |
44 |
|
[NAG]A:504 |
11 |
1 |
362 |
cf |
A |
x,y,z |
1_555 |
12 |
6 |
16455 |
99.7 |
3.3 |
0.400 |
0 |
0 |
0 |
0.000 |
Average: |
101.7 |
3.4 |
0.425 |
0 |
0 |
0 |
0.000 |
29 |
45 |
|
[SO4]C:302 |
5 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
13 |
5 |
11303 |
86.7 |
-13.2 |
0.843 |
5 |
0 |
0 |
0.227 |
30 |
46 |
|
[SO4]L:302 |
5 |
1 |
185 |
f |
L |
x,y,z |
1_555 |
13 |
5 |
11460 |
86.6 |
-12.3 |
0.805 |
5 |
0 |
0 |
0.703 |
31 |
47 |
|
G |
14 |
3 |
16779 |
◊ |
[NAG]A:507 |
x-1,y,z |
1_455 |
8 |
1 |
360 |
84.3 |
1.3 |
0.252 |
2 |
0 |
0 |
0.000 |
48 |
|
[NAG]G:507 |
9 |
1 |
362 |
◊ |
A |
x-1,y,z-1 |
1_454 |
13 |
3 |
16455 |
83.4 |
0.5 |
0.175 |
1 |
0 |
0 |
0.000 |
Average: |
83.8 |
0.9 |
0.214 |
2 |
0 |
0 |
0.000 |
32 |
49 |
|
[SO4]C:303 |
4 |
1 |
184 |
f |
C |
x,y,z |
1_555 |
10 |
3 |
11303 |
74.6 |
-11.4 |
0.612 |
2 |
0 |
0 |
0.181 |
33 |
50 |
|
G |
10 |
5 |
16779 |
◊ |
A |
x-1,y,z |
1_455 |
5 |
3 |
16455 |
56.1 |
0.9 |
0.813 |
1 |
0 |
0 |
0.000 |
51 |
|
G |
4 |
4 |
16779 |
◊ |
A |
x-1,y,z-1 |
1_454 |
6 |
3 |
16455 |
38.7 |
1.8 |
0.902 |
1 |
0 |
0 |
0.000 |
Average: |
47.4 |
1.4 |
0.858 |
1 |
0 |
0 |
0.000 |
34 |
52 |
|
[SO4]C:303 |
4 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
8 |
4 |
12105 |
52.5 |
-6.7 |
0.733 |
0 |
0 |
0 |
0.099 |
35 |
53 |
|
[NAG]G:504 |
4 |
1 |
360 |
f |
[NAG]G:501 |
x,y,z |
1_555 |
6 |
1 |
362 |
39.4 |
2.0 |
0.244 |
0 |
0 |
0 |
0.000 |
54 |
|
[NAG]A:504 |
2 |
1 |
362 |
f |
[NAG]A:501 |
x,y,z |
1_555 |
5 |
1 |
360 |
35.5 |
1.8 |
0.336 |
0 |
0 |
0 |
0.000 |
Average: |
37.4 |
1.9 |
0.290 |
0 |
0 |
0 |
0.000 |
36 |
55 |
|
[NAG]G:502 |
4 |
1 |
364 |
◊ |
A |
x-1,y,z |
1_455 |
8 |
3 |
16455 |
38.3 |
-0.1 |
0.260 |
0 |
0 |
0 |
0.000 |
37 |
56 |
|
[NAG]G:510 |
1 |
1 |
364 |
f |
[NAG]G:503 |
x,y,z |
1_555 |
5 |
1 |
361 |
36.1 |
1.8 |
0.316 |
0 |
0 |
0 |
0.000 |
38 |
57 |
|
G |
7 |
3 |
16779 |
◊ |
[NAG]A:502 |
x-1,y,z-1 |
1_454 |
4 |
1 |
357 |
35.8 |
-0.5 |
0.171 |
0 |
0 |
0 |
0.000 |
39 |
58 |
|
[NAG]G:507 |
2 |
1 |
362 |
◊ |
[NAG]A:502 |
x-1,y,z-1 |
1_454 |
5 |
1 |
357 |
35.2 |
1.6 |
0.265 |
0 |
0 |
0 |
0.000 |
40 |
59 |
|
[NAG]G:502 |
5 |
1 |
364 |
◊ |
[NAG]A:507 |
x-1,y,z |
1_455 |
2 |
1 |
360 |
27.6 |
1.3 |
0.306 |
0 |
0 |
0 |
0.000 |
41 |
60 |
|
[NAG]A:510 |
2 |
1 |
365 |
f |
[NAG]A:503 |
x,y,z |
1_555 |
5 |
1 |
362 |
27.1 |
1.2 |
0.244 |
0 |
0 |
0 |
0.000 |
42 |
61 |
|
A |
5 |
2 |
16455 |
◊ |
H |
-x,y-1/2,-z-2 |
2_543 |
3 |
3 |
12159 |
23.9 |
0.2 |
0.668 |
0 |
0 |
0 |
0.000 |
62 |
|
B |
3 |
2 |
12105 |
◊ |
G |
-x-1,y-1/2,-z-2 |
2_443 |
5 |
3 |
16779 |
16.4 |
0.5 |
0.767 |
0 |
0 |
0 |
0.000 |
Average: |
20.2 |
0.3 |
0.718 |
0 |
0 |
0 |
0.000 |
43 |
63 |
|
C |
1 |
1 |
11303 |
x |
C |
x,y,z-1 |
1_554 |
1 |
1 |
11303 |
10.2 |
0.5 |
0.865 |
0 |
0 |
0 |
0.000 |
64 |
|
L |
1 |
1 |
11460 |
x |
L |
x,y,z-1 |
1_554 |
1 |
1 |
11460 |
9.0 |
0.4 |
0.852 |
0 |
0 |
0 |
0.000 |
Average: |
9.6 |
0.5 |
0.858 |
0 |
0 |
0 |
0.000 |
44 |
65 |
|
C |
2 |
1 |
11303 |
◊ |
L |
-x-1,y-1/2,-z-3 |
2_442 |
1 |
1 |
11460 |
7.6 |
-0.0 |
0.560 |
0 |
0 |
0 |
0.000 |
45 |
66 |
|
[NAG]G:505 |
2 |
1 |
361 |
◊ |
A |
x-1,y,z |
1_455 |
1 |
1 |
16455 |
6.6 |
0.4 |
0.428 |
0 |
0 |
0 |
0.000 |
46 |
67 |
|
C |
1 |
1 |
11303 |
◊ |
[SO4]C:302 |
x,y,z-1 |
1_554 |
1 |
1 |
185 |
6.2 |
-0.8 |
0.490 |
0 |
0 |
0 |
0.000 |
47 |
68 |
|
[NAG]G:509 |
1 |
1 |
363 |
f |
[NAG]G:508 |
x,y,z |
1_555 |
1 |
1 |
360 |
5.8 |
0.4 |
0.286 |
0 |
0 |
0 |
0.000 |
48 |
69 |
|
C |
2 |
1 |
11303 |
◊ |
G |
-x-1,y-1/2,-z-2 |
2_443 |
2 |
2 |
16779 |
5.5 |
-0.1 |
0.450 |
0 |
0 |
0 |
0.000 |
49 |
70 |
|
C |
1 |
1 |
11303 |
◊ |
G |
-x-1,y-1/2,-z-3 |
2_442 |
1 |
1 |
16779 |
4.7 |
0.2 |
0.802 |
0 |
0 |
0 |
0.000 |
50 |
71 |
|
L |
1 |
1 |
11460 |
◊ |
[SO4]L:302 |
x,y,z-1 |
1_554 |
1 |
1 |
185 |
2.3 |
-0.3 |
0.647 |
0 |
0 |
0 |
0.000 |
51 |
72 |
|
[NAG]A:508 |
1 |
1 |
362 |
◊ |
G |
x,y,z |
1_555 |
1 |
1 |
16779 |
2.0 |
-0.0 |
0.324 |
0 |
0 |
0 |
0.000 |
73 |
|
[NAG]G:508 |
1 |
1 |
360 |
◊ |
A |
x,y,z-1 |
1_554 |
1 |
1 |
16455 |
1.7 |
-0.0 |
0.321 |
0 |
0 |
0 |
0.000 |
Average: |
1.8 |
-0.0 |
0.323 |
0 |
0 |
0 |
0.000 |
52 |
74 |
|
B |
1 |
1 |
12105 |
◊ |
H |
-x-1,y-1/2,-z-3 |
2_442 |
2 |
1 |
12159 |
1.2 |
0.0 |
0.667 |
0 |
0 |
0 |
0.000 |
|