## |
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 |
97 |
25 |
10053 |
◊ |
C |
-x,y,-z |
2_555 |
97 |
25 |
10053 |
878.8 |
-2.8 |
0.433 |
5 |
0 |
0 |
0.000 |
2 |
|
B |
96 |
26 |
9718 |
◊ |
A |
x,y,z |
1_555 |
100 |
26 |
10007 |
875.4 |
-2.4 |
0.483 |
12 |
0 |
0 |
0.000 |
Average: |
877.1 |
-2.6 |
0.458 |
9 |
0 |
0 |
0.000 |
2 |
3 |
|
B |
51 |
14 |
9718 |
◊ |
C |
x-1/2,y+1/2,z |
3_455 |
49 |
14 |
10053 |
466.3 |
-2.7 |
0.366 |
1 |
0 |
0 |
0.000 |
3 |
4 |
|
C |
46 |
14 |
10053 |
◊ |
A |
-x+1/2,y-1/2,-z+1 |
4_546 |
55 |
13 |
10007 |
438.2 |
2.4 |
0.765 |
0 |
0 |
0 |
0.000 |
4 |
5 |
|
C |
31 |
14 |
10053 |
◊ |
A |
x,y,z |
1_555 |
32 |
12 |
10007 |
255.5 |
1.7 |
0.730 |
3 |
6 |
0 |
0.000 |
6 |
|
C |
31 |
11 |
10053 |
◊ |
B |
-x,y,-z |
2_555 |
29 |
13 |
9718 |
222.6 |
1.7 |
0.757 |
2 |
6 |
0 |
0.000 |
Average: |
239.0 |
1.7 |
0.744 |
3 |
6 |
0 |
0.000 |
5 |
7 |
|
[LKK]C:309 |
17 |
1 |
610 |
cf |
C |
x,y,z |
1_555 |
39 |
17 |
10053 |
250.0 |
-0.6 |
0.200 |
3 |
0 |
0 |
0.604 |
6 |
8 |
|
A |
15 |
6 |
10007 |
◊ |
A |
-x,y,-z+1 |
2_556 |
15 |
6 |
10007 |
149.5 |
0.5 |
0.662 |
0 |
0 |
0 |
0.000 |
7 |
9 |
|
[FUC]A:306 |
9 |
1 |
281 |
f |
A |
x,y,z |
1_555 |
21 |
9 |
10007 |
139.4 |
2.8 |
0.389 |
2 |
0 |
0 |
0.000 |
10 |
|
[FUC]B:305 |
10 |
1 |
281 |
f |
B |
x,y,z |
1_555 |
21 |
9 |
9718 |
135.5 |
2.9 |
0.356 |
2 |
0 |
0 |
0.000 |
11 |
|
[FUC]C:306 |
9 |
1 |
281 |
f |
C |
x,y,z |
1_555 |
19 |
8 |
10053 |
131.0 |
2.6 |
0.331 |
2 |
0 |
0 |
0.000 |
Average: |
135.3 |
2.8 |
0.359 |
2 |
0 |
0 |
0.000 |
8 |
12 |
|
[NAG]A:301 |
12 |
1 |
361 |
cf |
A |
x,y,z |
1_555 |
18 |
6 |
10007 |
132.0 |
3.3 |
0.355 |
0 |
0 |
0 |
0.000 |
13 |
|
[NAG]C:301 |
12 |
1 |
359 |
cf |
C |
x,y,z |
1_555 |
19 |
6 |
10053 |
129.6 |
3.3 |
0.347 |
0 |
0 |
0 |
0.000 |
Average: |
130.8 |
3.3 |
0.351 |
0 |
0 |
0 |
0.000 |
9 |
14 |
|
[NAG]B:301 |
12 |
1 |
361 |
cf |
B |
x,y,z |
1_555 |
18 |
6 |
9718 |
127.6 |
3.3 |
0.367 |
1 |
0 |
0 |
0.000 |
10 |
15 |
|
[FUC]B:303 |
8 |
1 |
281 |
f |
B |
x,y,z |
1_555 |
13 |
7 |
9718 |
112.9 |
2.6 |
0.441 |
0 |
0 |
0 |
0.000 |
16 |
|
[FUC]A:303 |
8 |
1 |
282 |
f |
A |
x,y,z |
1_555 |
13 |
7 |
10007 |
108.7 |
2.9 |
0.450 |
0 |
0 |
0 |
0.000 |
Average: |
110.8 |
2.7 |
0.445 |
0 |
0 |
0 |
0.000 |
11 |
17 |
|
[FUC]C:303 |
8 |
1 |
282 |
f |
C |
x,y,z |
1_555 |
12 |
7 |
10053 |
106.3 |
2.4 |
0.344 |
1 |
0 |
0 |
0.000 |
12 |
18 |
|
[EDO]C:311 |
4 |
1 |
184 |
f |
C |
x,y,z |
1_555 |
19 |
7 |
10053 |
103.0 |
2.2 |
0.344 |
1 |
0 |
0 |
0.000 |
13 |
19 |
|
[NAG]C:304 |
10 |
1 |
361 |
cf |
C |
x,y,z |
1_555 |
16 |
7 |
10053 |
98.6 |
2.6 |
0.346 |
0 |
0 |
0 |
0.000 |
20 |
|
[NAG]A:304 |
8 |
1 |
362 |
cf |
A |
x,y,z |
1_555 |
15 |
6 |
10007 |
97.5 |
2.4 |
0.396 |
0 |
0 |
0 |
0.000 |
21 |
|
[NAG]B:304 |
10 |
1 |
364 |
cf |
B |
x,y,z |
1_555 |
14 |
6 |
9718 |
96.8 |
2.4 |
0.313 |
0 |
0 |
0 |
0.000 |
Average: |
97.6 |
2.5 |
0.352 |
0 |
0 |
0 |
0.000 |
14 |
22 |
|
B |
20 |
8 |
9718 |
◊ |
[EDO]C:310 |
x-1/2,y+1/2,z |
3_455 |
4 |
1 |
184 |
95.1 |
3.1 |
0.462 |
0 |
0 |
0 |
0.000 |
15 |
23 |
|
C |
6 |
2 |
10053 |
◊ |
B |
x,y,z |
1_555 |
7 |
2 |
9718 |
80.3 |
2.7 |
0.931 |
0 |
0 |
0 |
0.000 |
16 |
24 |
|
[BR]B:306 |
1 |
1 |
133 |
f |
B |
x,y,z |
1_555 |
12 |
6 |
9718 |
77.8 |
-10.8 |
0.000 |
0 |
0 |
0 |
1.000 |
25 |
|
[BR]C:307 |
1 |
1 |
133 |
f |
C |
x,y,z |
1_555 |
11 |
7 |
10053 |
71.5 |
-10.0 |
0.000 |
0 |
0 |
0 |
1.000 |
26 |
|
[BR]A:307 |
1 |
1 |
133 |
f |
A |
x,y,z |
1_555 |
12 |
7 |
10007 |
69.1 |
-9.4 |
0.000 |
0 |
0 |
0 |
1.000 |
Average: |
72.8 |
-10.0 |
0.000 |
0 |
0 |
0 |
1.000 |
17 |
27 |
|
[NAG]A:305 |
9 |
1 |
358 |
cf |
[NAG]A:304 |
x,y,z |
1_555 |
7 |
1 |
362 |
75.3 |
1.5 |
0.087 |
0 |
0 |
0 |
0.000 |
18 |
28 |
|
[NAG]C:305 |
9 |
1 |
359 |
cf |
[NAG]C:304 |
x,y,z |
1_555 |
7 |
1 |
361 |
72.4 |
1.5 |
0.074 |
0 |
0 |
0 |
0.000 |
19 |
29 |
|
[NAG]A:302 |
9 |
1 |
357 |
cf |
[NAG]A:301 |
x,y,z |
1_555 |
7 |
1 |
361 |
70.8 |
1.5 |
0.076 |
0 |
0 |
0 |
0.000 |
30 |
|
[NAG]B:302 |
9 |
1 |
361 |
cf |
[NAG]B:301 |
x,y,z |
1_555 |
6 |
1 |
361 |
70.4 |
1.3 |
0.089 |
0 |
0 |
0 |
0.000 |
Average: |
70.6 |
1.4 |
0.083 |
0 |
0 |
0 |
0.000 |
20 |
31 |
|
[NAG]C:302 |
8 |
1 |
361 |
cf |
[NAG]C:301 |
x,y,z |
1_555 |
7 |
1 |
359 |
68.8 |
1.2 |
0.071 |
0 |
0 |
0 |
0.000 |
21 |
32 |
|
[BR]A:308 |
1 |
1 |
133 |
f |
A |
x,y,z |
1_555 |
12 |
6 |
10007 |
68.3 |
-9.0 |
0.000 |
0 |
0 |
0 |
1.000 |
22 |
33 |
|
[NAG]A:302 |
6 |
1 |
357 |
◊ |
C |
x-1/2,y+1/2,z |
3_455 |
8 |
2 |
10053 |
63.7 |
2.5 |
0.517 |
0 |
0 |
0 |
0.000 |
23 |
34 |
|
[NAG]A:302 |
5 |
1 |
357 |
f |
A |
x,y,z |
1_555 |
10 |
2 |
10007 |
62.9 |
1.2 |
0.367 |
0 |
0 |
0 |
0.000 |
24 |
35 |
|
[LKK]C:309 |
9 |
1 |
610 |
◊ |
C |
-x,y,-z |
2_555 |
5 |
1 |
10053 |
62.2 |
2.2 |
0.609 |
0 |
0 |
0 |
0.000 |
25 |
36 |
|
[BR]C:308 |
1 |
1 |
133 |
f |
C |
x,y,z |
1_555 |
12 |
6 |
10053 |
61.8 |
-8.5 |
0.000 |
0 |
0 |
0 |
1.000 |
26 |
37 |
|
[NAG]C:302 |
4 |
1 |
361 |
f |
C |
x,y,z |
1_555 |
8 |
2 |
10053 |
60.5 |
1.1 |
0.438 |
0 |
0 |
0 |
0.000 |
38 |
|
[NAG]B:302 |
4 |
1 |
361 |
f |
B |
x,y,z |
1_555 |
9 |
2 |
9718 |
48.5 |
0.7 |
0.373 |
0 |
0 |
0 |
0.000 |
Average: |
54.5 |
0.9 |
0.405 |
0 |
0 |
0 |
0.000 |
27 |
39 |
|
[FUC]A:306 |
7 |
1 |
281 |
cf |
[NAG]A:304 |
x,y,z |
1_555 |
6 |
1 |
362 |
58.3 |
2.5 |
0.190 |
0 |
0 |
0 |
0.000 |
40 |
|
[FUC]B:305 |
6 |
1 |
281 |
cf |
[NAG]B:304 |
x,y,z |
1_555 |
6 |
1 |
364 |
57.7 |
2.3 |
0.189 |
0 |
0 |
0 |
0.000 |
41 |
|
[FUC]C:306 |
6 |
1 |
281 |
cf |
[NAG]C:304 |
x,y,z |
1_555 |
5 |
1 |
361 |
57.0 |
2.5 |
0.208 |
0 |
0 |
0 |
0.000 |
Average: |
57.7 |
2.4 |
0.196 |
0 |
0 |
0 |
0.000 |
28 |
42 |
|
[FUC]A:303 |
5 |
1 |
282 |
cf |
[NAG]A:301 |
x,y,z |
1_555 |
5 |
1 |
361 |
57.1 |
2.2 |
0.281 |
0 |
0 |
0 |
0.000 |
29 |
43 |
|
[FUC]C:303 |
6 |
1 |
282 |
cf |
[NAG]C:301 |
x,y,z |
1_555 |
5 |
1 |
359 |
54.4 |
2.0 |
0.184 |
0 |
0 |
0 |
0.000 |
30 |
44 |
|
[FUC]B:303 |
7 |
1 |
281 |
cf |
[NAG]B:301 |
x,y,z |
1_555 |
5 |
1 |
361 |
53.0 |
2.2 |
0.193 |
0 |
0 |
0 |
0.000 |
31 |
45 |
|
[FUC]A:303 |
4 |
1 |
282 |
◊ |
C |
x-1/2,y+1/2,z |
3_455 |
6 |
2 |
10053 |
49.3 |
0.6 |
0.350 |
0 |
0 |
0 |
0.000 |
32 |
46 |
|
A |
8 |
3 |
10007 |
◊ |
C |
x-1/2,y+1/2,z |
3_455 |
6 |
3 |
10053 |
48.9 |
1.0 |
0.804 |
0 |
0 |
0 |
0.000 |
33 |
47 |
|
[FUC]C:303 |
3 |
1 |
282 |
f |
[NAG]C:302 |
x,y,z |
1_555 |
7 |
1 |
361 |
46.8 |
2.3 |
0.293 |
0 |
0 |
0 |
0.000 |
48 |
|
[FUC]B:303 |
3 |
1 |
281 |
f |
[NAG]B:302 |
x,y,z |
1_555 |
6 |
1 |
361 |
39.5 |
2.0 |
0.251 |
0 |
0 |
0 |
0.000 |
Average: |
43.1 |
2.1 |
0.272 |
0 |
0 |
0 |
0.000 |
34 |
49 |
|
[NAG]A:301 |
9 |
1 |
361 |
◊ |
C |
x-1/2,y+1/2,z |
3_455 |
6 |
2 |
10053 |
46.0 |
0.6 |
0.170 |
1 |
0 |
0 |
0.000 |
35 |
50 |
|
[BR]C:308 |
1 |
1 |
133 |
◊ |
A |
-x+1/2,y-1/2,-z+1 |
4_546 |
8 |
4 |
10007 |
45.8 |
-5.8 |
0.000 |
0 |
0 |
0 |
1.000 |
36 |
51 |
|
[FUC]A:306 |
6 |
1 |
281 |
f |
[NAG]A:305 |
x,y,z |
1_555 |
4 |
1 |
358 |
45.3 |
1.8 |
0.210 |
0 |
0 |
0 |
0.000 |
37 |
52 |
|
[FUC]A:303 |
3 |
1 |
282 |
f |
[NAG]A:302 |
x,y,z |
1_555 |
6 |
1 |
357 |
44.8 |
2.1 |
0.280 |
0 |
0 |
0 |
0.000 |
38 |
53 |
|
B |
6 |
2 |
9718 |
◊ |
B |
-x,y,-z+1 |
2_556 |
6 |
2 |
9718 |
42.9 |
1.1 |
0.846 |
0 |
0 |
0 |
0.000 |
39 |
54 |
|
[FUC]C:306 |
5 |
1 |
281 |
f |
[NAG]C:305 |
x,y,z |
1_555 |
4 |
1 |
359 |
40.8 |
1.6 |
0.189 |
0 |
0 |
0 |
0.000 |
40 |
55 |
|
C |
2 |
1 |
10053 |
◊ |
[BR]A:308 |
-x+1/2,y-1/2,-z+1 |
4_546 |
1 |
1 |
133 |
39.5 |
-2.7 |
0.000 |
0 |
0 |
0 |
0.841 |
41 |
56 |
|
B |
6 |
2 |
9718 |
◊ |
[EDO]C:311 |
x-1/2,y+1/2,z |
3_455 |
4 |
1 |
184 |
36.0 |
0.6 |
0.511 |
0 |
0 |
0 |
0.000 |
42 |
57 |
|
B |
5 |
3 |
9718 |
◊ |
A |
-x,y,-z+1 |
2_556 |
4 |
3 |
10007 |
35.5 |
-0.4 |
0.418 |
0 |
0 |
0 |
0.000 |
43 |
58 |
|
C |
6 |
2 |
10053 |
◊ |
[BR]A:307 |
-x+1/2,y-1/2,-z+1 |
4_546 |
1 |
1 |
133 |
33.4 |
-4.1 |
0.000 |
0 |
0 |
0 |
1.000 |
44 |
59 |
|
[EDO]C:310 |
3 |
1 |
184 |
f |
C |
x,y,z |
1_555 |
4 |
1 |
10053 |
33.1 |
0.8 |
0.892 |
0 |
0 |
0 |
0.000 |
45 |
60 |
|
[BR]C:307 |
1 |
1 |
133 |
◊ |
A |
-x+1/2,y-1/2,-z+1 |
4_546 |
5 |
1 |
10007 |
31.2 |
-3.3 |
0.000 |
0 |
0 |
0 |
1.000 |
46 |
61 |
|
[NAG]C:301 |
1 |
1 |
359 |
◊ |
[NAG]B:301 |
x,y,z |
1_555 |
1 |
1 |
361 |
24.4 |
1.6 |
0.786 |
0 |
0 |
0 |
0.000 |
47 |
62 |
|
[NAG]C:305 |
2 |
1 |
359 |
◊ |
A |
-x+1/2,y-1/2,-z+1 |
4_546 |
2 |
1 |
10007 |
22.5 |
1.1 |
0.638 |
0 |
0 |
0 |
0.000 |
48 |
63 |
|
[NAG]A:305 |
2 |
1 |
358 |
f |
A |
x,y,z |
1_555 |
2 |
1 |
10007 |
15.7 |
-0.0 |
0.229 |
0 |
0 |
0 |
0.011 |
49 |
64 |
|
[NAG]C:305 |
2 |
1 |
359 |
f |
C |
x,y,z |
1_555 |
1 |
1 |
10053 |
10.0 |
-0.0 |
0.199 |
0 |
0 |
0 |
0.012 |
50 |
65 |
|
[EDO]C:311 |
1 |
1 |
184 |
f |
[EDO]C:310 |
x,y,z |
1_555 |
2 |
1 |
184 |
8.4 |
0.3 |
1.000 |
0 |
0 |
0 |
0.000 |
51 |
66 |
|
[NAG]C:304 |
1 |
1 |
361 |
◊ |
A |
-x+1/2,y-1/2,-z+1 |
4_546 |
1 |
1 |
10007 |
3.3 |
0.0 |
0.342 |
0 |
0 |
0 |
0.000 |
52 |
67 |
|
[NAG]B:301 |
1 |
1 |
361 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
10053 |
2.5 |
0.1 |
0.343 |
0 |
0 |
0 |
0.000 |
|