## |
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 |
|
F |
344 |
85 |
12869 |
◊ |
E |
x,y,z |
1_555 |
313 |
77 |
17508 |
3177.6 |
-37.0 |
0.078 |
40 |
7 |
1 |
1.000 |
2 |
|
B |
335 |
85 |
12916 |
◊ |
A |
x,y,z |
1_555 |
311 |
75 |
16815 |
3115.2 |
-37.6 |
0.063 |
37 |
6 |
1 |
1.000 |
3 |
|
D |
336 |
84 |
12854 |
◊ |
C |
x,y,z |
1_555 |
301 |
75 |
16954 |
3091.8 |
-36.4 |
0.084 |
41 |
9 |
1 |
1.000 |
Average: |
3128.2 |
-37.0 |
0.075 |
39 |
7 |
1 |
1.000 |
2 |
4 |
|
F |
136 |
44 |
12869 |
◊ |
B |
x,y,z |
1_555 |
152 |
36 |
12916 |
1455.9 |
-16.4 |
0.276 |
13 |
12 |
0 |
0.882 |
5 |
|
F |
154 |
36 |
12869 |
◊ |
D |
x,y,z |
1_555 |
138 |
45 |
12854 |
1443.3 |
-17.1 |
0.249 |
12 |
11 |
0 |
0.882 |
6 |
|
D |
156 |
37 |
12854 |
◊ |
B |
x,y,z |
1_555 |
141 |
45 |
12916 |
1426.1 |
-16.8 |
0.271 |
11 |
12 |
0 |
0.882 |
Average: |
1441.7 |
-16.7 |
0.265 |
12 |
12 |
0 |
0.882 |
3 |
7 |
|
C |
58 |
21 |
16954 |
◊ |
A |
x-1,y,z |
1_455 |
69 |
26 |
16815 |
470.1 |
-1.9 |
0.572 |
3 |
0 |
0 |
0.000 |
4 |
8 |
|
E |
43 |
13 |
17508 |
◊ |
C |
x,y,z |
1_555 |
48 |
14 |
16954 |
373.6 |
-4.8 |
0.247 |
5 |
2 |
0 |
0.055 |
9 |
|
E |
40 |
12 |
17508 |
◊ |
A |
x,y,z |
1_555 |
38 |
11 |
16815 |
372.0 |
-3.3 |
0.353 |
1 |
0 |
0 |
0.055 |
10 |
|
C |
39 |
11 |
16954 |
◊ |
A |
x,y,z |
1_555 |
42 |
14 |
16815 |
359.2 |
-3.5 |
0.312 |
2 |
2 |
0 |
0.055 |
Average: |
368.3 |
-3.8 |
0.304 |
3 |
1 |
0 |
0.055 |
5 |
11 |
|
B |
31 |
9 |
12916 |
◊ |
E |
x,y,z |
1_555 |
30 |
11 |
17508 |
259.2 |
-0.2 |
0.702 |
4 |
3 |
0 |
0.022 |
12 |
|
D |
32 |
9 |
12854 |
◊ |
A |
x,y,z |
1_555 |
27 |
11 |
16815 |
257.9 |
0.5 |
0.772 |
4 |
2 |
0 |
0.022 |
13 |
|
F |
30 |
8 |
12869 |
◊ |
C |
x,y,z |
1_555 |
26 |
11 |
16954 |
246.8 |
0.4 |
0.763 |
5 |
3 |
0 |
0.022 |
Average: |
254.7 |
0.2 |
0.746 |
4 |
3 |
0 |
0.022 |
6 |
14 |
|
[SIA]J:3 |
19 |
1 |
440 |
f |
E |
x,y,z |
1_555 |
34 |
14 |
17508 |
251.1 |
-2.5 |
0.277 |
9 |
0 |
0 |
0.114 |
15 |
|
[SIA]H:3 |
19 |
1 |
439 |
f |
C |
x,y,z |
1_555 |
35 |
15 |
16954 |
241.1 |
-2.8 |
0.284 |
6 |
0 |
0 |
0.114 |
16 |
|
[SIA]G:3 |
19 |
1 |
438 |
f |
A |
x,y,z |
1_555 |
33 |
13 |
16815 |
239.4 |
-2.8 |
0.267 |
7 |
0 |
0 |
0.114 |
Average: |
243.8 |
-2.7 |
0.276 |
7 |
0 |
0 |
0.114 |
7 |
17 |
|
F |
35 |
12 |
12869 |
◊ |
A |
x,y,z |
1_555 |
19 |
9 |
16815 |
228.1 |
-2.8 |
0.312 |
1 |
0 |
0 |
0.041 |
18 |
|
B |
39 |
14 |
12916 |
◊ |
C |
x,y,z |
1_555 |
20 |
8 |
16954 |
220.3 |
-2.9 |
0.305 |
2 |
0 |
0 |
0.041 |
19 |
|
D |
35 |
11 |
12854 |
◊ |
E |
x,y,z |
1_555 |
18 |
7 |
17508 |
217.8 |
-4.1 |
0.201 |
1 |
0 |
0 |
0.041 |
Average: |
222.1 |
-3.3 |
0.273 |
1 |
0 |
0 |
0.041 |
8 |
20 |
|
[NAG]F:201 |
9 |
1 |
360 |
cf |
F |
x,y,z |
1_555 |
15 |
6 |
12869 |
115.2 |
4.4 |
0.603 |
0 |
0 |
0 |
0.000 |
9 |
21 |
|
[NAG]I:1 |
8 |
1 |
360 |
cf |
D |
x,y,z |
1_555 |
16 |
6 |
12854 |
114.5 |
4.3 |
0.650 |
0 |
0 |
0 |
0.000 |
22 |
|
[NAG]B:201 |
8 |
1 |
359 |
cf |
B |
x,y,z |
1_555 |
16 |
6 |
12916 |
113.7 |
4.2 |
0.682 |
0 |
0 |
0 |
0.000 |
Average: |
114.1 |
4.2 |
0.666 |
0 |
0 |
0 |
0.000 |
10 |
23 |
|
[NAG]H:1 |
10 |
1 |
372 |
f |
C |
x,y,z |
1_555 |
12 |
7 |
16954 |
103.3 |
2.5 |
0.353 |
2 |
0 |
0 |
0.000 |
24 |
|
[NAG]G:1 |
10 |
1 |
371 |
f |
A |
x,y,z |
1_555 |
13 |
7 |
16815 |
92.8 |
2.4 |
0.348 |
1 |
0 |
0 |
0.000 |
Average: |
98.1 |
2.4 |
0.350 |
2 |
0 |
0 |
0.000 |
11 |
25 |
|
[EDO]A:406 |
4 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
19 |
8 |
16815 |
98.9 |
2.8 |
0.428 |
1 |
0 |
0 |
0.000 |
12 |
26 |
|
[NAG]A:404 |
10 |
1 |
355 |
cf |
A |
x,y,z |
1_555 |
11 |
4 |
16815 |
96.5 |
2.1 |
0.338 |
2 |
0 |
0 |
0.000 |
27 |
|
[NAG]C:401 |
10 |
1 |
362 |
cf |
C |
x,y,z |
1_555 |
11 |
4 |
16954 |
93.2 |
2.0 |
0.312 |
1 |
0 |
0 |
0.000 |
Average: |
94.9 |
2.1 |
0.325 |
2 |
0 |
0 |
0.000 |
13 |
28 |
|
[GAL]H:2 |
9 |
1 |
292 |
f |
C |
x,y,z |
1_555 |
14 |
6 |
16954 |
91.5 |
1.4 |
0.296 |
0 |
0 |
0 |
0.000 |
14 |
29 |
|
[NAG]E:404 |
10 |
1 |
364 |
cf |
E |
x,y,z |
1_555 |
12 |
6 |
17508 |
90.2 |
1.7 |
0.304 |
0 |
0 |
0 |
0.000 |
15 |
30 |
|
[EDO]A:405 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
14 |
8 |
16815 |
85.8 |
2.2 |
0.412 |
3 |
0 |
0 |
0.000 |
16 |
31 |
|
[EDO]C:405 |
4 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
15 |
6 |
16815 |
77.2 |
1.8 |
0.367 |
0 |
0 |
0 |
0.000 |
17 |
32 |
|
[GAL]J:2 |
7 |
1 |
288 |
f |
E |
x,y,z |
1_555 |
12 |
6 |
17508 |
75.4 |
1.4 |
0.205 |
1 |
0 |
0 |
0.000 |
18 |
33 |
|
[EDO]C:405 |
4 |
1 |
184 |
f |
C |
x,y,z |
1_555 |
13 |
5 |
16954 |
74.3 |
1.8 |
0.284 |
4 |
0 |
0 |
0.000 |
19 |
34 |
|
[GAL]G:2 |
8 |
1 |
289 |
f |
A |
x,y,z |
1_555 |
9 |
6 |
16815 |
71.5 |
1.7 |
0.265 |
0 |
0 |
0 |
0.000 |
20 |
35 |
|
[NAG]I:2 |
10 |
1 |
367 |
cf |
[NAG]I:1 |
x,y,z |
1_555 |
6 |
1 |
360 |
71.5 |
1.7 |
0.078 |
0 |
0 |
0 |
0.000 |
21 |
36 |
|
[SIA]G:3 |
9 |
1 |
438 |
cf |
[GAL]G:2 |
x,y,z |
1_555 |
7 |
1 |
289 |
65.1 |
2.4 |
0.315 |
0 |
0 |
0 |
0.000 |
22 |
37 |
|
[SIA]H:3 |
9 |
1 |
439 |
cf |
[GAL]H:2 |
x,y,z |
1_555 |
7 |
1 |
292 |
64.7 |
2.3 |
0.335 |
0 |
0 |
0 |
0.000 |
23 |
38 |
|
[SIA]J:3 |
10 |
1 |
440 |
cf |
[GAL]J:2 |
x,y,z |
1_555 |
7 |
1 |
288 |
62.4 |
2.7 |
0.319 |
0 |
0 |
0 |
0.000 |
24 |
39 |
|
[GAL]G:2 |
7 |
1 |
289 |
cf |
[NAG]G:1 |
x,y,z |
1_555 |
5 |
1 |
371 |
61.8 |
1.0 |
0.081 |
1 |
0 |
0 |
0.000 |
25 |
40 |
|
[GAL]H:2 |
5 |
1 |
292 |
cf |
[NAG]H:1 |
x,y,z |
1_555 |
6 |
1 |
372 |
60.5 |
1.0 |
0.141 |
0 |
0 |
0 |
0.000 |
26 |
41 |
|
[EDO]B:202 |
4 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
10 |
4 |
12916 |
59.6 |
1.6 |
0.820 |
0 |
0 |
0 |
0.000 |
27 |
42 |
|
[EDO]A:405 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
10 |
3 |
12916 |
59.0 |
1.2 |
0.723 |
1 |
0 |
0 |
0.000 |
28 |
43 |
|
[GAL]J:2 |
6 |
1 |
288 |
cf |
[NAG]J:1 |
x,y,z |
1_555 |
5 |
1 |
375 |
58.0 |
1.0 |
0.112 |
0 |
0 |
0 |
0.000 |
29 |
44 |
|
[EDO]A:406 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
6 |
3 |
12916 |
51.6 |
0.6 |
0.725 |
1 |
0 |
0 |
0.000 |
30 |
45 |
|
C |
4 |
2 |
16954 |
◊ |
[NAG]G:1 |
x-1,y,z |
1_455 |
4 |
1 |
371 |
44.7 |
0.8 |
0.407 |
0 |
0 |
0 |
0.000 |
31 |
46 |
|
[EDO]B:202 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
5 |
3 |
16815 |
41.0 |
0.8 |
0.830 |
1 |
0 |
0 |
0.000 |
32 |
47 |
|
C |
3 |
1 |
16954 |
◊ |
[GAL]G:2 |
x-1,y,z |
1_455 |
2 |
1 |
289 |
37.9 |
1.1 |
0.641 |
0 |
0 |
0 |
0.000 |
33 |
48 |
|
[NAG]I:2 |
2 |
1 |
367 |
◊ |
C |
x,y,z |
1_555 |
3 |
1 |
16954 |
32.1 |
1.8 |
0.782 |
0 |
0 |
0 |
0.000 |
34 |
49 |
|
[NAG]F:201 |
5 |
1 |
360 |
◊ |
C |
x,y,z |
1_555 |
4 |
2 |
16954 |
30.6 |
0.8 |
0.367 |
0 |
0 |
0 |
0.000 |
35 |
50 |
|
[NAG]C:401 |
2 |
1 |
362 |
◊ |
D |
x,y,z |
1_555 |
2 |
1 |
12854 |
29.4 |
0.1 |
0.263 |
0 |
0 |
0 |
0.000 |
51 |
|
[NAG]A:404 |
2 |
1 |
355 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
12916 |
24.9 |
0.4 |
0.370 |
0 |
0 |
0 |
0.000 |
Average: |
27.1 |
0.2 |
0.317 |
0 |
0 |
0 |
0.000 |
36 |
52 |
|
[NAG]E:404 |
3 |
1 |
364 |
◊ |
F |
x,y,z |
1_555 |
2 |
2 |
12869 |
24.6 |
0.2 |
0.270 |
0 |
0 |
0 |
0.000 |
37 |
53 |
|
[CA]E:405 |
1 |
1 |
85 |
f |
B |
x,y,z |
1_555 |
7 |
3 |
12916 |
23.8 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.291 |
54 |
|
[CA]C:406 |
1 |
1 |
85 |
f |
F |
x,y,z |
1_555 |
4 |
3 |
12869 |
23.4 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.291 |
55 |
|
[CA]A:407 |
1 |
1 |
85 |
f |
D |
x,y,z |
1_555 |
4 |
3 |
12854 |
21.8 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.291 |
Average: |
23.0 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.291 |
38 |
56 |
|
[NAG]I:2 |
2 |
1 |
367 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
16815 |
23.6 |
0.1 |
0.307 |
0 |
0 |
0 |
0.000 |
39 |
57 |
|
[CA]A:407 |
1 |
1 |
85 |
f |
[NAG]I:1 |
x,y,z |
1_555 |
4 |
1 |
360 |
23.4 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.229 |
58 |
|
[CA]C:406 |
1 |
1 |
85 |
f |
[NAG]F:201 |
x,y,z |
1_555 |
4 |
1 |
360 |
23.3 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.229 |
59 |
|
[CA]E:405 |
1 |
1 |
85 |
f |
[NAG]B:201 |
x,y,z |
1_555 |
5 |
1 |
359 |
23.2 |
-2.8 |
0.000 |
0 |
0 |
0 |
0.229 |
Average: |
23.3 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.229 |
40 |
60 |
|
[CA]A:407 |
1 |
1 |
85 |
◊ |
A |
x,y,z |
1_555 |
3 |
2 |
16815 |
22.5 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.032 |
61 |
|
[CA]C:406 |
1 |
1 |
85 |
◊ |
C |
x,y,z |
1_555 |
5 |
2 |
16954 |
22.1 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.032 |
62 |
|
[CA]E:405 |
1 |
1 |
85 |
◊ |
E |
x,y,z |
1_555 |
4 |
2 |
17508 |
19.1 |
-2.7 |
0.000 |
0 |
0 |
0 |
0.032 |
Average: |
21.2 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.032 |
41 |
63 |
|
[NAG]I:1 |
2 |
1 |
360 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
16815 |
21.1 |
0.6 |
0.434 |
0 |
0 |
0 |
0.000 |
64 |
|
[NAG]B:201 |
2 |
1 |
359 |
◊ |
E |
x,y,z |
1_555 |
3 |
1 |
17508 |
20.7 |
0.6 |
0.437 |
0 |
0 |
0 |
0.000 |
Average: |
20.9 |
0.6 |
0.435 |
0 |
0 |
0 |
0.000 |
42 |
65 |
|
[CA]E:405 |
1 |
1 |
85 |
◊ |
F |
x,y,z |
1_555 |
3 |
1 |
12869 |
20.5 |
-2.6 |
0.000 |
0 |
0 |
0 |
0.087 |
66 |
|
[CA]C:406 |
1 |
1 |
85 |
◊ |
D |
x,y,z |
1_555 |
2 |
1 |
12854 |
18.7 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.087 |
67 |
|
[CA]A:407 |
1 |
1 |
85 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
12916 |
18.1 |
-2.5 |
0.000 |
0 |
0 |
0 |
0.087 |
Average: |
19.1 |
-2.4 |
0.000 |
0 |
0 |
0 |
0.087 |
43 |
68 |
|
[NAG]F:201 |
2 |
1 |
360 |
◊ |
E |
x,y,z |
1_555 |
2 |
1 |
17508 |
15.3 |
0.7 |
0.549 |
0 |
0 |
0 |
0.000 |
44 |
69 |
|
[SIA]H:3 |
3 |
1 |
439 |
f |
[NAG]H:1 |
x,y,z |
1_555 |
3 |
1 |
372 |
13.7 |
0.6 |
0.342 |
0 |
0 |
0 |
0.000 |
70 |
|
[SIA]G:3 |
3 |
1 |
438 |
f |
[NAG]G:1 |
x,y,z |
1_555 |
3 |
1 |
371 |
5.8 |
0.3 |
0.319 |
0 |
0 |
0 |
0.000 |
Average: |
9.7 |
0.4 |
0.330 |
0 |
0 |
0 |
0.000 |
45 |
71 |
|
[NAG]B:201 |
3 |
1 |
359 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
16815 |
13.4 |
0.6 |
0.427 |
0 |
0 |
0 |
0.000 |
72 |
|
[NAG]I:1 |
2 |
1 |
360 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
16954 |
11.3 |
0.5 |
0.432 |
0 |
0 |
0 |
0.000 |
Average: |
12.4 |
0.5 |
0.429 |
0 |
0 |
0 |
0.000 |
46 |
73 |
|
[SIA]H:3 |
2 |
1 |
439 |
◊ |
A |
x-1,y,z |
1_455 |
2 |
1 |
16815 |
11.7 |
-0.3 |
0.333 |
0 |
0 |
0 |
0.000 |
47 |
74 |
|
[NAG]J:1 |
2 |
1 |
375 |
f |
E |
x,y,z |
1_555 |
2 |
2 |
17508 |
8.6 |
0.2 |
0.399 |
0 |
0 |
0 |
0.000 |
48 |
75 |
|
[NAG]F:201 |
1 |
1 |
360 |
◊ |
D |
x,y,z |
1_555 |
1 |
1 |
12854 |
6.3 |
0.1 |
0.336 |
0 |
0 |
0 |
0.000 |
49 |
76 |
|
[NAG]B:201 |
1 |
1 |
359 |
◊ |
F |
x,y,z |
1_555 |
3 |
1 |
12869 |
6.2 |
0.1 |
0.316 |
0 |
0 |
0 |
0.000 |
77 |
|
[NAG]I:1 |
1 |
1 |
360 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
12916 |
4.9 |
0.1 |
0.335 |
0 |
0 |
0 |
0.000 |
Average: |
5.6 |
0.1 |
0.325 |
0 |
0 |
0 |
0.000 |
50 |
78 |
|
C |
1 |
1 |
16954 |
◊ |
E |
x-1,y,z |
1_455 |
1 |
1 |
17508 |
1.0 |
-0.0 |
0.488 |
0 |
0 |
0 |
0.000 |
51 |
79 |
|
[SIA]J:3 |
1 |
1 |
440 |
f |
[NAG]J:1 |
x,y,z |
1_555 |
1 |
1 |
375 |
0.7 |
0.0 |
0.183 |
0 |
0 |
0 |
0.000 |
|