| ## |
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 |
|
C |
102 |
24 |
9539 |
◊ |
A |
x-1,y,z |
1_455 |
99 |
24 |
9590 |
885.1 |
-3.2 |
0.549 |
12 |
0 |
0 |
0.000 |
2 |
|
B |
91 |
24 |
9766 |
◊ |
D |
-x-1/2,-y,z-1/2 |
2_454 |
96 |
24 |
9095 |
828.7 |
-4.0 |
0.479 |
11 |
0 |
0 |
0.000 |
| Average: |
856.9 |
-3.6 |
0.514 |
12 |
0 |
0 |
0.000 |
| 2 |
3 |
|
B |
60 |
20 |
9766 |
◊ |
C |
-x-3/2,-y,z-1/2 |
2_354 |
60 |
19 |
9539 |
557.2 |
-3.9 |
0.339 |
3 |
0 |
0 |
0.000 |
4 |
|
D |
55 |
16 |
9095 |
◊ |
A |
x,y,z |
1_555 |
53 |
16 |
9590 |
517.8 |
-6.1 |
0.202 |
2 |
0 |
0 |
0.000 |
| Average: |
537.5 |
-5.0 |
0.271 |
3 |
0 |
0 |
0.000 |
| 3 |
5 |
|
B |
54 |
15 |
9766 |
◊ |
A |
x-1/2,-y-1/2,-z |
4_445 |
59 |
20 |
9590 |
524.4 |
-4.2 |
0.296 |
5 |
0 |
0 |
0.000 |
| 4 |
6 |
|
B |
47 |
18 |
9766 |
◊ |
A |
x,y,z |
1_555 |
47 |
16 |
9590 |
466.7 |
-4.2 |
0.248 |
5 |
0 |
0 |
0.000 |
| 5 |
7 |
|
[HVP]B:306 |
13 |
1 |
320 |
cf |
B |
x,y,z |
1_555 |
31 |
14 |
9766 |
193.2 |
2.0 |
0.284 |
1 |
0 |
0 |
0.000 |
8 |
|
[HVP]C:305 |
13 |
1 |
323 |
cf |
C |
x,y,z |
1_555 |
30 |
14 |
9539 |
192.0 |
1.8 |
0.305 |
2 |
0 |
0 |
0.000 |
9 |
|
[HVP]A:306 |
13 |
1 |
328 |
cf |
A |
x,y,z |
1_555 |
29 |
12 |
9590 |
187.3 |
0.5 |
0.188 |
3 |
0 |
0 |
0.000 |
| Average: |
190.8 |
1.4 |
0.259 |
2 |
0 |
0 |
0.000 |
| 6 |
10 |
|
[HVP]D:306 |
13 |
1 |
319 |
cf |
D |
x,y,z |
1_555 |
28 |
12 |
9095 |
189.4 |
2.0 |
0.342 |
3 |
0 |
0 |
0.000 |
| 7 |
11 |
|
[NAG]B:304 |
12 |
1 |
358 |
cf |
B |
x,y,z |
1_555 |
18 |
6 |
9766 |
142.3 |
4.2 |
0.400 |
0 |
0 |
0 |
0.000 |
| 8 |
12 |
|
[NAG]D:304 |
12 |
1 |
364 |
cf |
D |
x,y,z |
1_555 |
17 |
6 |
9095 |
140.9 |
4.2 |
0.439 |
0 |
0 |
0 |
0.000 |
13 |
|
[NAG]A:304 |
12 |
1 |
360 |
cf |
A |
x,y,z |
1_555 |
16 |
6 |
9590 |
133.9 |
4.3 |
0.425 |
0 |
0 |
0 |
0.000 |
| Average: |
137.4 |
4.2 |
0.432 |
0 |
0 |
0 |
0.000 |
| 9 |
14 |
|
D |
16 |
5 |
9095 |
◊ |
C |
x,y,z |
1_555 |
16 |
4 |
9539 |
138.0 |
-0.5 |
0.578 |
2 |
0 |
0 |
0.000 |
| 10 |
15 |
|
[FUC]C:302 |
10 |
1 |
280 |
f |
C |
x,y,z |
1_555 |
20 |
9 |
9539 |
137.1 |
2.8 |
0.382 |
3 |
0 |
0 |
0.000 |
16 |
|
[FUC]A:302 |
9 |
1 |
281 |
f |
A |
x,y,z |
1_555 |
20 |
9 |
9590 |
136.5 |
2.7 |
0.359 |
2 |
0 |
0 |
0.000 |
17 |
|
[FUC]B:302 |
9 |
1 |
280 |
f |
B |
x,y,z |
1_555 |
20 |
8 |
9766 |
135.9 |
2.8 |
0.366 |
3 |
0 |
0 |
0.000 |
18 |
|
[FUC]D:302 |
10 |
1 |
279 |
f |
D |
x,y,z |
1_555 |
18 |
8 |
9095 |
131.5 |
2.7 |
0.374 |
3 |
0 |
0 |
0.000 |
| Average: |
135.2 |
2.7 |
0.371 |
3 |
0 |
0 |
0.000 |
| 11 |
19 |
|
C |
17 |
6 |
9539 |
◊ |
A |
x,y,z |
1_555 |
11 |
4 |
9590 |
124.3 |
0.3 |
0.652 |
2 |
0 |
0 |
0.000 |
20 |
|
B |
13 |
3 |
9766 |
◊ |
D |
-x-3/2,-y,z-1/2 |
2_354 |
14 |
5 |
9095 |
120.3 |
0.1 |
0.603 |
1 |
0 |
0 |
0.000 |
| Average: |
122.3 |
0.2 |
0.627 |
2 |
0 |
0 |
0.000 |
| 12 |
21 |
|
[NAG]C:304 |
12 |
1 |
363 |
cf |
C |
x,y,z |
1_555 |
17 |
6 |
9539 |
122.1 |
3.4 |
0.373 |
1 |
0 |
0 |
0.000 |
| 13 |
22 |
|
[NAG]D:301 |
10 |
1 |
359 |
cf |
D |
x,y,z |
1_555 |
14 |
7 |
9095 |
109.0 |
2.7 |
0.383 |
1 |
0 |
0 |
0.000 |
23 |
|
[NAG]C:301 |
9 |
1 |
363 |
cf |
C |
x,y,z |
1_555 |
17 |
7 |
9539 |
105.5 |
2.6 |
0.391 |
1 |
0 |
0 |
0.000 |
24 |
|
[NAG]A:301 |
9 |
1 |
362 |
cf |
A |
x,y,z |
1_555 |
16 |
7 |
9590 |
99.1 |
2.3 |
0.380 |
2 |
0 |
0 |
0.000 |
25 |
|
[NAG]B:301 |
10 |
1 |
360 |
cf |
B |
x,y,z |
1_555 |
17 |
7 |
9766 |
99.1 |
2.4 |
0.327 |
1 |
0 |
0 |
0.000 |
| Average: |
103.1 |
2.5 |
0.370 |
1 |
0 |
0 |
0.000 |
| 14 |
26 |
|
[NAG]B:303 |
9 |
1 |
362 |
cf |
[NAG]B:301 |
x,y,z |
1_555 |
7 |
1 |
360 |
77.9 |
1.7 |
0.091 |
1 |
0 |
0 |
0.000 |
27 |
|
[NAG]A:303 |
10 |
1 |
365 |
cf |
[NAG]A:301 |
x,y,z |
1_555 |
7 |
1 |
362 |
76.7 |
1.7 |
0.082 |
1 |
0 |
0 |
0.000 |
28 |
|
[NAG]C:303 |
9 |
1 |
362 |
cf |
[NAG]C:301 |
x,y,z |
1_555 |
7 |
1 |
363 |
76.2 |
1.7 |
0.091 |
1 |
0 |
0 |
0.000 |
29 |
|
[NAG]D:303 |
8 |
1 |
364 |
cf |
[NAG]D:301 |
x,y,z |
1_555 |
7 |
1 |
359 |
74.9 |
1.7 |
0.105 |
1 |
0 |
0 |
0.000 |
| Average: |
76.4 |
1.7 |
0.092 |
1 |
0 |
0 |
0.000 |
| 15 |
30 |
|
[NAG]D:305 |
6 |
1 |
359 |
f |
D |
x,y,z |
1_555 |
9 |
2 |
9095 |
71.6 |
2.4 |
0.523 |
0 |
0 |
0 |
0.000 |
| 16 |
31 |
|
[NAG]D:305 |
10 |
1 |
359 |
cf |
[NAG]D:304 |
x,y,z |
1_555 |
6 |
1 |
364 |
70.6 |
1.5 |
0.068 |
0 |
0 |
0 |
0.000 |
| 17 |
32 |
|
[NAG]A:305 |
9 |
1 |
363 |
cf |
[NAG]A:304 |
x,y,z |
1_555 |
6 |
1 |
360 |
68.3 |
1.5 |
0.103 |
1 |
0 |
0 |
0.000 |
| 18 |
33 |
|
[NAG]B:305 |
9 |
1 |
356 |
cf |
[NAG]B:304 |
x,y,z |
1_555 |
6 |
1 |
358 |
65.9 |
1.5 |
0.079 |
1 |
0 |
0 |
0.000 |
| 19 |
34 |
|
[NAG]A:305 |
5 |
1 |
363 |
f |
A |
x,y,z |
1_555 |
7 |
2 |
9590 |
61.3 |
1.6 |
0.463 |
0 |
0 |
0 |
0.000 |
| 20 |
35 |
|
[NAG]B:305 |
5 |
1 |
356 |
f |
B |
x,y,z |
1_555 |
8 |
2 |
9766 |
58.7 |
1.7 |
0.493 |
0 |
0 |
0 |
0.000 |
| 21 |
36 |
|
B |
3 |
3 |
9766 |
◊ |
A |
-x-1/2,-y,z-1/2 |
2_454 |
3 |
1 |
9590 |
58.3 |
1.8 |
0.927 |
0 |
0 |
0 |
0.000 |
| 22 |
37 |
|
[FUC]A:302 |
7 |
1 |
281 |
cf |
[NAG]A:301 |
x,y,z |
1_555 |
6 |
1 |
362 |
56.4 |
2.4 |
0.182 |
0 |
0 |
0 |
0.000 |
38 |
|
[FUC]D:302 |
7 |
1 |
279 |
cf |
[NAG]D:301 |
x,y,z |
1_555 |
6 |
1 |
359 |
55.7 |
2.4 |
0.189 |
0 |
0 |
0 |
0.000 |
39 |
|
[FUC]C:302 |
7 |
1 |
280 |
cf |
[NAG]C:301 |
x,y,z |
1_555 |
6 |
1 |
363 |
54.4 |
2.3 |
0.180 |
0 |
0 |
0 |
0.000 |
40 |
|
[FUC]B:302 |
6 |
1 |
280 |
cf |
[NAG]B:301 |
x,y,z |
1_555 |
5 |
1 |
360 |
53.0 |
2.2 |
0.198 |
0 |
0 |
0 |
0.000 |
| Average: |
54.9 |
2.3 |
0.187 |
0 |
0 |
0 |
0.000 |
| 23 |
41 |
|
[FUC]A:302 |
5 |
1 |
281 |
f |
[NAG]A:303 |
x,y,z |
1_555 |
4 |
1 |
365 |
51.2 |
2.4 |
0.268 |
0 |
0 |
0 |
0.000 |
42 |
|
[FUC]B:302 |
5 |
1 |
280 |
f |
[NAG]B:303 |
x,y,z |
1_555 |
4 |
1 |
362 |
47.9 |
2.2 |
0.254 |
0 |
0 |
0 |
0.000 |
43 |
|
[FUC]C:302 |
5 |
1 |
280 |
f |
[NAG]C:303 |
x,y,z |
1_555 |
4 |
1 |
362 |
46.6 |
2.1 |
0.256 |
0 |
0 |
0 |
0.000 |
| Average: |
48.6 |
2.3 |
0.259 |
0 |
0 |
0 |
0.000 |
| 24 |
44 |
|
B |
5 |
2 |
9766 |
◊ |
[NAG]D:301 |
-x-3/2,-y,z-1/2 |
2_354 |
6 |
1 |
359 |
47.6 |
1.3 |
0.404 |
1 |
0 |
0 |
0.000 |
45 |
|
[NAG]C:301 |
5 |
1 |
363 |
◊ |
A |
x,y,z |
1_555 |
2 |
2 |
9590 |
27.0 |
0.2 |
0.152 |
0 |
0 |
0 |
0.000 |
| Average: |
37.3 |
0.7 |
0.278 |
1 |
0 |
0 |
0.000 |
| 25 |
46 |
|
[FUC]D:302 |
4 |
1 |
279 |
f |
[NAG]D:303 |
x,y,z |
1_555 |
4 |
1 |
364 |
46.2 |
2.1 |
0.382 |
0 |
0 |
0 |
0.000 |
| 26 |
47 |
|
[NAG]C:301 |
2 |
1 |
363 |
◊ |
D |
x,y,z |
1_555 |
4 |
2 |
9095 |
41.5 |
1.1 |
0.485 |
0 |
0 |
0 |
0.000 |
48 |
|
[NAG]D:301 |
2 |
1 |
359 |
◊ |
C |
x,y,z |
1_555 |
3 |
2 |
9539 |
41.1 |
1.0 |
0.434 |
0 |
0 |
0 |
0.000 |
| Average: |
41.3 |
1.1 |
0.459 |
0 |
0 |
0 |
0.000 |
| 27 |
49 |
|
[HVP]D:306 |
4 |
1 |
319 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
9590 |
25.0 |
1.0 |
0.453 |
1 |
0 |
0 |
0.000 |
| 28 |
50 |
|
[NAG]C:303 |
2 |
1 |
362 |
f |
C |
x,y,z |
1_555 |
2 |
1 |
9539 |
21.7 |
0.4 |
0.332 |
0 |
0 |
0 |
0.000 |
51 |
|
[NAG]D:303 |
2 |
1 |
364 |
f |
D |
x,y,z |
1_555 |
2 |
1 |
9095 |
21.0 |
0.4 |
0.341 |
0 |
0 |
0 |
0.000 |
| Average: |
21.3 |
0.4 |
0.337 |
0 |
0 |
0 |
0.000 |
| 29 |
52 |
|
B |
3 |
2 |
9766 |
◊ |
[NAG]D:303 |
-x-3/2,-y,z-1/2 |
2_354 |
5 |
1 |
364 |
20.8 |
0.4 |
0.246 |
0 |
0 |
0 |
0.000 |
53 |
|
[NAG]C:303 |
2 |
1 |
362 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
9590 |
5.0 |
0.0 |
0.251 |
0 |
0 |
0 |
0.000 |
| Average: |
12.9 |
0.2 |
0.249 |
0 |
0 |
0 |
0.000 |
| 30 |
54 |
|
[NAG]A:303 |
1 |
1 |
365 |
f |
A |
x,y,z |
1_555 |
2 |
1 |
9590 |
18.0 |
0.3 |
0.417 |
0 |
0 |
0 |
0.000 |
55 |
|
[NAG]B:303 |
1 |
1 |
362 |
f |
B |
x,y,z |
1_555 |
2 |
1 |
9766 |
17.9 |
0.3 |
0.414 |
0 |
0 |
0 |
0.000 |
| Average: |
17.9 |
0.3 |
0.416 |
0 |
0 |
0 |
0.000 |
| 31 |
56 |
|
[NAG]B:305 |
2 |
1 |
356 |
◊ |
[NAG]A:304 |
-x-1/2,-y,z-1/2 |
2_454 |
4 |
1 |
360 |
14.0 |
0.7 |
0.236 |
0 |
0 |
0 |
0.000 |
| 32 |
57 |
|
[NAG]B:305 |
2 |
1 |
356 |
◊ |
[NAG]A:305 |
-x-1/2,-y,z-1/2 |
2_454 |
1 |
1 |
363 |
8.4 |
0.3 |
0.241 |
0 |
0 |
0 |
0.000 |
| 33 |
58 |
|
B |
2 |
2 |
9766 |
◊ |
[FUC]D:302 |
-x-3/2,-y,z-1/2 |
2_354 |
1 |
1 |
279 |
6.4 |
-0.0 |
0.298 |
0 |
0 |
0 |
0.000 |
59 |
|
[FUC]C:302 |
1 |
1 |
280 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
9590 |
0.9 |
-0.0 |
0.315 |
0 |
0 |
0 |
0.000 |
| Average: |
3.7 |
-0.0 |
0.307 |
0 |
0 |
0 |
0.000 |
| 34 |
60 |
|
[NAG]B:304 |
2 |
1 |
358 |
◊ |
[NAG]A:305 |
-x-1/2,-y,z-1/2 |
2_454 |
2 |
1 |
363 |
5.7 |
0.1 |
0.204 |
0 |
0 |
0 |
0.000 |
| 35 |
61 |
|
C |
1 |
1 |
9539 |
◊ |
D |
x-1/2,-y+1/2,-z |
4_455 |
1 |
1 |
9095 |
5.4 |
-0.1 |
0.469 |
0 |
0 |
0 |
0.000 |
|