## |
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 |
76 |
18 |
9747 |
◊ |
A |
-x+1/2,-y,z-1/2 |
2_554 |
72 |
18 |
9600 |
695.5 |
-9.1 |
0.222 |
5 |
1 |
0 |
0.000 |
2 |
2 |
|
F |
74 |
15 |
9747 |
◊ |
E |
x,y,z |
1_555 |
70 |
15 |
10232 |
640.8 |
-13.2 |
0.073 |
3 |
0 |
0 |
0.000 |
3 |
|
B |
68 |
15 |
8956 |
◊ |
A |
x,y,z |
1_555 |
74 |
15 |
9600 |
638.5 |
-13.3 |
0.047 |
2 |
0 |
0 |
0.000 |
Average: |
639.6 |
-13.3 |
0.060 |
3 |
0 |
0 |
0.000 |
3 |
4 |
|
F |
45 |
14 |
9747 |
◊ |
A |
-x+3/2,-y,z-1/2 |
2_654 |
40 |
14 |
9600 |
451.8 |
-10.5 |
0.028 |
0 |
0 |
0 |
0.000 |
4 |
5 |
|
A |
55 |
15 |
9600 |
◊ |
B |
-x+1,y-1/2,-z+1/2 |
3_645 |
46 |
16 |
8956 |
448.4 |
0.3 |
0.763 |
4 |
0 |
0 |
0.000 |
5 |
6 |
|
E |
30 |
10 |
10232 |
x |
E |
x-1/2,-y-1/2,-z |
4_445 |
23 |
7 |
10232 |
257.1 |
-5.3 |
0.155 |
0 |
0 |
0 |
0.000 |
6 |
7 |
|
[NAG]E:201 |
13 |
1 |
356 |
cf |
E |
x,y,z |
1_555 |
27 |
11 |
10232 |
202.9 |
4.0 |
0.434 |
3 |
0 |
0 |
0.000 |
8 |
|
[NAG]F:201 |
14 |
1 |
355 |
cf |
F |
x,y,z |
1_555 |
28 |
12 |
9747 |
202.6 |
3.9 |
0.379 |
3 |
0 |
0 |
0.000 |
9 |
|
[NAG]B:201 |
14 |
1 |
359 |
cf |
B |
x,y,z |
1_555 |
31 |
13 |
8956 |
200.8 |
4.5 |
0.437 |
4 |
0 |
0 |
0.000 |
10 |
|
[NAG]A:201 |
14 |
1 |
357 |
cf |
A |
x,y,z |
1_555 |
27 |
12 |
9600 |
200.2 |
4.0 |
0.403 |
2 |
0 |
0 |
0.000 |
Average: |
201.6 |
4.1 |
0.413 |
3 |
0 |
0 |
0.000 |
7 |
11 |
|
A |
18 |
5 |
9600 |
x |
A |
-x+1,y-1/2,-z+1/2 |
3_645 |
22 |
7 |
9600 |
188.8 |
-2.1 |
0.393 |
0 |
0 |
0 |
0.000 |
8 |
12 |
|
[NAG]E:206 |
13 |
1 |
349 |
cf |
E |
x,y,z |
1_555 |
28 |
8 |
10232 |
183.1 |
3.9 |
0.545 |
2 |
0 |
0 |
0.000 |
9 |
13 |
|
[NAG]B:206 |
12 |
1 |
353 |
cf |
B |
x,y,z |
1_555 |
27 |
10 |
8956 |
175.3 |
3.1 |
0.400 |
0 |
0 |
0 |
0.000 |
14 |
|
[NAG]A:206 |
12 |
1 |
355 |
cf |
A |
x,y,z |
1_555 |
22 |
6 |
9600 |
150.1 |
3.1 |
0.356 |
0 |
0 |
0 |
0.000 |
Average: |
162.7 |
3.1 |
0.378 |
0 |
0 |
0 |
0.000 |
10 |
15 |
|
E |
18 |
6 |
10232 |
◊ |
B |
x-1/2,-y-1/2,-z |
4_445 |
21 |
7 |
8956 |
174.7 |
-1.5 |
0.498 |
3 |
1 |
0 |
0.000 |
11 |
16 |
|
[NAG]F:206 |
13 |
1 |
351 |
cf |
F |
x,y,z |
1_555 |
29 |
8 |
9747 |
174.5 |
3.4 |
0.401 |
1 |
0 |
0 |
0.000 |
12 |
17 |
|
F |
25 |
9 |
9747 |
◊ |
B |
x,y,z |
1_555 |
17 |
6 |
8956 |
171.9 |
-2.1 |
0.436 |
0 |
0 |
0 |
0.000 |
13 |
18 |
|
B |
12 |
5 |
8956 |
◊ |
F |
x-1/2,-y+1/2,-z |
4_455 |
21 |
6 |
9747 |
115.1 |
0.0 |
0.667 |
2 |
1 |
0 |
0.000 |
14 |
19 |
|
[NAG]E:207 |
9 |
1 |
348 |
f |
E |
x,y,z |
1_555 |
16 |
8 |
10232 |
114.2 |
2.8 |
0.457 |
0 |
0 |
0 |
0.000 |
15 |
20 |
|
[NAG]A:202 |
9 |
1 |
362 |
f |
A |
x,y,z |
1_555 |
19 |
5 |
9600 |
111.9 |
1.6 |
0.297 |
2 |
0 |
0 |
0.000 |
21 |
|
[NAG]F:202 |
11 |
1 |
358 |
f |
F |
x,y,z |
1_555 |
19 |
5 |
9747 |
111.1 |
2.2 |
0.269 |
2 |
0 |
0 |
0.000 |
Average: |
111.5 |
1.9 |
0.283 |
2 |
0 |
0 |
0.000 |
16 |
22 |
|
[NAG]E:202 |
11 |
1 |
355 |
f |
E |
x,y,z |
1_555 |
17 |
4 |
10232 |
105.7 |
2.3 |
0.301 |
1 |
0 |
0 |
0.000 |
23 |
|
[NAG]B:202 |
9 |
1 |
364 |
f |
B |
x,y,z |
1_555 |
17 |
4 |
8956 |
95.2 |
1.5 |
0.288 |
2 |
0 |
0 |
0.000 |
Average: |
100.5 |
1.9 |
0.295 |
2 |
0 |
0 |
0.000 |
17 |
24 |
|
B |
13 |
5 |
8956 |
x |
B |
x-1/2,-y+1/2,-z |
4_455 |
17 |
5 |
8956 |
101.1 |
-2.7 |
0.241 |
0 |
0 |
0 |
0.000 |
18 |
25 |
|
E |
7 |
3 |
10232 |
◊ |
B |
x,y-1,z |
1_545 |
8 |
3 |
8956 |
85.5 |
-1.1 |
0.379 |
1 |
0 |
0 |
0.000 |
19 |
26 |
|
[NAG]F:202 |
7 |
1 |
358 |
cf |
[NAG]F:201 |
x,y,z |
1_555 |
8 |
1 |
355 |
81.1 |
2.3 |
0.118 |
1 |
0 |
0 |
0.000 |
27 |
|
[NAG]A:202 |
8 |
1 |
362 |
cf |
[NAG]A:201 |
x,y,z |
1_555 |
7 |
1 |
357 |
80.5 |
2.3 |
0.125 |
1 |
0 |
0 |
0.000 |
Average: |
80.8 |
2.3 |
0.121 |
1 |
0 |
0 |
0.000 |
20 |
28 |
|
[NAG]A:207 |
8 |
1 |
359 |
cf |
[NAG]A:206 |
x,y,z |
1_555 |
8 |
1 |
355 |
79.8 |
2.3 |
0.122 |
0 |
0 |
0 |
0.000 |
21 |
29 |
|
[NAG]B:202 |
8 |
1 |
364 |
cf |
[NAG]B:201 |
x,y,z |
1_555 |
7 |
1 |
359 |
79.8 |
2.0 |
0.124 |
1 |
0 |
0 |
0.000 |
30 |
|
[NAG]E:202 |
8 |
1 |
355 |
cf |
[NAG]E:201 |
x,y,z |
1_555 |
7 |
1 |
356 |
73.6 |
1.4 |
0.090 |
0 |
0 |
0 |
0.000 |
Average: |
76.7 |
1.7 |
0.107 |
1 |
0 |
0 |
0.000 |
22 |
31 |
|
[BMA]F:205 |
6 |
1 |
291 |
◊ |
A |
-x+3/2,-y,z-1/2 |
2_654 |
11 |
5 |
9600 |
73.5 |
0.3 |
0.262 |
0 |
0 |
0 |
0.000 |
23 |
32 |
|
[NAG]F:207 |
9 |
1 |
359 |
cf |
[NAG]F:206 |
x,y,z |
1_555 |
6 |
1 |
351 |
72.5 |
2.1 |
0.104 |
0 |
0 |
0 |
0.000 |
24 |
33 |
|
[NAG]F:207 |
6 |
1 |
359 |
f |
F |
x,y,z |
1_555 |
13 |
6 |
9747 |
70.4 |
1.3 |
0.372 |
0 |
0 |
0 |
0.000 |
25 |
34 |
|
[MAN]E:205 |
7 |
1 |
290 |
f |
E |
x,y,z |
1_555 |
5 |
2 |
10232 |
69.0 |
0.3 |
0.172 |
0 |
0 |
0 |
0.000 |
26 |
35 |
|
[MAN]A:204 |
7 |
1 |
296 |
cf |
[BMA]A:203 |
x,y,z |
1_555 |
4 |
1 |
293 |
65.7 |
2.0 |
0.199 |
1 |
0 |
0 |
0.000 |
27 |
36 |
|
[NAG]E:207 |
8 |
1 |
348 |
cf |
[NAG]E:206 |
x,y,z |
1_555 |
6 |
1 |
349 |
64.1 |
1.3 |
0.126 |
1 |
0 |
0 |
0.000 |
28 |
37 |
|
[BMA]B:208 |
6 |
1 |
294 |
cf |
[NAG]B:207 |
x,y,z |
1_555 |
8 |
1 |
354 |
63.7 |
1.2 |
0.074 |
0 |
0 |
0 |
0.000 |
29 |
38 |
|
E |
5 |
2 |
10232 |
◊ |
F |
x,y-1,z |
1_545 |
10 |
3 |
9747 |
63.5 |
-0.6 |
0.289 |
0 |
0 |
0 |
0.000 |
30 |
39 |
|
[BMA]A:203 |
7 |
1 |
293 |
f |
A |
x,y,z |
1_555 |
11 |
2 |
9600 |
63.4 |
2.0 |
0.468 |
0 |
0 |
0 |
0.000 |
40 |
|
[BMA]E:203 |
8 |
1 |
293 |
f |
E |
x,y,z |
1_555 |
12 |
3 |
10232 |
61.8 |
1.7 |
0.342 |
0 |
0 |
0 |
0.000 |
Average: |
62.6 |
1.9 |
0.405 |
0 |
0 |
0 |
0.000 |
31 |
41 |
|
[BMA]E:203 |
7 |
1 |
293 |
cf |
[NAG]E:202 |
x,y,z |
1_555 |
5 |
1 |
355 |
63.0 |
1.3 |
0.110 |
0 |
0 |
0 |
0.000 |
42 |
|
[BMA]A:208 |
6 |
1 |
293 |
cf |
[NAG]A:207 |
x,y,z |
1_555 |
6 |
1 |
359 |
60.7 |
1.4 |
0.134 |
0 |
0 |
0 |
0.000 |
Average: |
61.8 |
1.4 |
0.122 |
0 |
0 |
0 |
0.000 |
32 |
43 |
|
[BMA]B:208 |
6 |
1 |
294 |
◊ |
F |
x,y,z |
1_555 |
8 |
4 |
9747 |
62.7 |
1.7 |
0.382 |
0 |
0 |
0 |
0.000 |
33 |
44 |
|
[BMA]E:204 |
4 |
1 |
287 |
cf |
[BMA]E:203 |
x,y,z |
1_555 |
6 |
1 |
293 |
61.2 |
2.6 |
0.265 |
0 |
0 |
0 |
0.000 |
34 |
45 |
|
[MAN]E:205 |
6 |
1 |
290 |
cf |
[BMA]E:203 |
x,y,z |
1_555 |
5 |
1 |
293 |
61.2 |
2.8 |
0.277 |
0 |
0 |
0 |
0.000 |
35 |
46 |
|
[BMA]E:208 |
6 |
1 |
293 |
cf |
[NAG]E:207 |
x,y,z |
1_555 |
6 |
1 |
348 |
61.0 |
1.5 |
0.146 |
0 |
0 |
0 |
0.000 |
36 |
47 |
|
[BMA]F:203 |
7 |
1 |
292 |
cf |
[NAG]F:202 |
x,y,z |
1_555 |
5 |
1 |
358 |
60.5 |
1.2 |
0.090 |
1 |
0 |
0 |
0.000 |
48 |
|
[BMA]A:203 |
7 |
1 |
293 |
cf |
[NAG]A:202 |
x,y,z |
1_555 |
5 |
1 |
362 |
60.2 |
1.1 |
0.095 |
0 |
0 |
0 |
0.000 |
Average: |
60.3 |
1.1 |
0.092 |
1 |
0 |
0 |
0.000 |
37 |
49 |
|
[BMA]F:205 |
6 |
1 |
291 |
cf |
[BMA]F:203 |
x,y,z |
1_555 |
5 |
1 |
292 |
60.2 |
2.0 |
0.201 |
0 |
0 |
0 |
0.000 |
38 |
50 |
|
[BMA]B:203 |
6 |
1 |
292 |
cf |
[NAG]B:202 |
x,y,z |
1_555 |
4 |
1 |
364 |
59.8 |
1.7 |
0.165 |
0 |
0 |
0 |
0.000 |
51 |
|
[BMA]F:208 |
4 |
1 |
290 |
cf |
[NAG]F:207 |
x,y,z |
1_555 |
5 |
1 |
359 |
57.7 |
1.5 |
0.182 |
0 |
0 |
0 |
0.000 |
Average: |
58.7 |
1.6 |
0.174 |
0 |
0 |
0 |
0.000 |
39 |
52 |
|
[BMA]A:205 |
7 |
1 |
294 |
cf |
[BMA]A:203 |
x,y,z |
1_555 |
6 |
1 |
293 |
58.1 |
2.0 |
0.159 |
0 |
0 |
0 |
0.000 |
40 |
53 |
|
[NAG]B:207 |
7 |
1 |
354 |
cf |
[NAG]B:206 |
x,y,z |
1_555 |
6 |
1 |
353 |
57.6 |
0.8 |
0.082 |
0 |
0 |
0 |
0.000 |
41 |
54 |
|
[MAN]B:205 |
6 |
1 |
294 |
cf |
[BMA]B:203 |
x,y,z |
1_555 |
5 |
1 |
292 |
57.4 |
2.4 |
0.201 |
0 |
0 |
0 |
0.000 |
42 |
55 |
|
[BMA]B:203 |
9 |
1 |
292 |
f |
B |
x,y,z |
1_555 |
10 |
2 |
8956 |
56.5 |
0.8 |
0.179 |
0 |
0 |
0 |
0.000 |
43 |
56 |
|
F |
9 |
4 |
9747 |
◊ |
[BMA]B:204 |
x-1/2,-y+1/2,-z |
4_455 |
4 |
1 |
294 |
56.3 |
1.4 |
0.493 |
1 |
0 |
0 |
0.000 |
44 |
57 |
|
[NAG]A:207 |
5 |
1 |
359 |
f |
A |
x,y,z |
1_555 |
9 |
3 |
9600 |
56.0 |
1.7 |
0.512 |
0 |
0 |
0 |
0.000 |
45 |
58 |
|
[BMA]B:204 |
4 |
1 |
294 |
cf |
[BMA]B:203 |
x,y,z |
1_555 |
5 |
1 |
292 |
55.3 |
2.1 |
0.219 |
0 |
0 |
0 |
0.000 |
46 |
59 |
|
[BMA]F:205 |
4 |
1 |
291 |
f |
F |
x,y,z |
1_555 |
8 |
3 |
9747 |
55.3 |
-0.0 |
0.296 |
0 |
0 |
0 |
0.000 |
47 |
60 |
|
E |
9 |
2 |
10232 |
◊ |
[BMA]B:208 |
x-1/2,-y-1/2,-z |
4_445 |
7 |
1 |
294 |
54.8 |
0.7 |
0.294 |
0 |
0 |
0 |
0.000 |
48 |
61 |
|
[BMA]F:204 |
6 |
1 |
292 |
cf |
[BMA]F:203 |
x,y,z |
1_555 |
6 |
1 |
292 |
54.6 |
2.1 |
0.165 |
0 |
0 |
0 |
0.000 |
49 |
62 |
|
[BMA]F:203 |
8 |
1 |
292 |
f |
F |
x,y,z |
1_555 |
10 |
2 |
9747 |
54.1 |
1.1 |
0.253 |
0 |
0 |
0 |
0.000 |
50 |
63 |
|
E |
5 |
2 |
10232 |
◊ |
F |
x-1/2,-y-1/2,-z |
4_445 |
5 |
3 |
9747 |
53.8 |
0.2 |
0.648 |
1 |
0 |
0 |
0.000 |
51 |
64 |
|
[NAG]B:207 |
6 |
1 |
354 |
f |
B |
x,y,z |
1_555 |
6 |
3 |
8956 |
53.2 |
0.2 |
0.191 |
0 |
0 |
0 |
0.000 |
52 |
65 |
|
E |
6 |
2 |
10232 |
◊ |
A |
x-1/2,-y-1/2,-z |
4_445 |
5 |
2 |
9600 |
41.0 |
-0.3 |
0.547 |
0 |
0 |
0 |
0.000 |
53 |
66 |
|
[BMA]F:205 |
5 |
1 |
291 |
◊ |
[NAG]A:207 |
-x+3/2,-y,z-1/2 |
2_654 |
5 |
1 |
359 |
38.6 |
1.7 |
0.219 |
0 |
0 |
0 |
0.000 |
54 |
67 |
|
[MAN]B:205 |
3 |
1 |
294 |
f |
B |
x,y,z |
1_555 |
5 |
2 |
8956 |
37.3 |
0.2 |
0.291 |
0 |
0 |
0 |
0.000 |
55 |
68 |
|
[BMA]B:204 |
3 |
1 |
294 |
f |
[NAG]B:202 |
x,y,z |
1_555 |
3 |
1 |
364 |
28.8 |
0.6 |
0.239 |
0 |
0 |
0 |
0.000 |
56 |
69 |
|
[BMA]A:205 |
3 |
1 |
294 |
f |
A |
x,y,z |
1_555 |
2 |
2 |
9600 |
27.0 |
0.4 |
0.359 |
1 |
0 |
0 |
0.000 |
57 |
70 |
|
[BMA]F:208 |
3 |
1 |
290 |
◊ |
[BMA]A:205 |
-x+3/2,-y,z-1/2 |
2_654 |
3 |
1 |
294 |
25.0 |
1.1 |
0.307 |
0 |
0 |
0 |
0.000 |
58 |
71 |
|
[MAN]E:205 |
4 |
1 |
290 |
f |
[NAG]E:202 |
x,y,z |
1_555 |
2 |
1 |
355 |
24.5 |
0.5 |
0.163 |
0 |
0 |
0 |
0.000 |
59 |
72 |
|
E |
4 |
1 |
10232 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
8956 |
23.5 |
1.1 |
0.868 |
1 |
1 |
0 |
0.000 |
60 |
73 |
|
E |
5 |
3 |
10232 |
◊ |
[NAG]B:207 |
x-1/2,-y-1/2,-z |
4_445 |
2 |
1 |
354 |
22.8 |
0.5 |
0.407 |
1 |
0 |
0 |
0.000 |
61 |
74 |
|
[NAG]F:202 |
3 |
1 |
358 |
◊ |
A |
-x+3/2,-y,z-1/2 |
2_654 |
4 |
1 |
9600 |
22.1 |
0.5 |
0.398 |
0 |
0 |
0 |
0.000 |
62 |
75 |
|
E |
4 |
1 |
10232 |
◊ |
[NAG]B:206 |
x-1/2,-y-1/2,-z |
4_445 |
3 |
1 |
353 |
20.3 |
0.2 |
0.316 |
0 |
0 |
0 |
0.000 |
63 |
76 |
|
E |
3 |
2 |
10232 |
◊ |
[MAN]E:205 |
x-1/2,-y-1/2,-z |
4_445 |
2 |
1 |
290 |
18.6 |
0.1 |
0.374 |
0 |
0 |
0 |
0.000 |
64 |
77 |
|
[BMA]F:204 |
3 |
1 |
292 |
f |
[NAG]F:202 |
x,y,z |
1_555 |
3 |
1 |
358 |
18.0 |
0.7 |
0.233 |
0 |
0 |
0 |
0.000 |
65 |
78 |
|
E |
3 |
1 |
10232 |
◊ |
[BMA]F:204 |
x-1/2,-y-1/2,-z |
4_445 |
2 |
1 |
292 |
17.0 |
0.7 |
0.461 |
0 |
0 |
0 |
0.000 |
66 |
79 |
|
[BMA]F:203 |
3 |
1 |
292 |
◊ |
A |
-x+3/2,-y,z-1/2 |
2_654 |
1 |
1 |
9600 |
15.6 |
0.5 |
0.414 |
0 |
0 |
0 |
0.000 |
67 |
80 |
|
[NAG]B:207 |
2 |
1 |
354 |
◊ |
F |
x,y,z |
1_555 |
4 |
2 |
9747 |
13.8 |
0.6 |
0.428 |
0 |
0 |
0 |
0.000 |
68 |
81 |
|
F |
3 |
2 |
9747 |
◊ |
[BMA]A:205 |
-x+3/2,-y,z-1/2 |
2_654 |
2 |
1 |
294 |
12.2 |
0.1 |
0.336 |
0 |
0 |
0 |
0.000 |
69 |
82 |
|
[BMA]F:205 |
3 |
1 |
291 |
f |
[NAG]F:202 |
x,y,z |
1_555 |
2 |
1 |
358 |
11.7 |
0.2 |
0.167 |
0 |
0 |
0 |
0.000 |
70 |
83 |
|
[MAN]B:205 |
3 |
1 |
294 |
f |
[NAG]B:202 |
x,y,z |
1_555 |
2 |
1 |
364 |
11.1 |
0.4 |
0.212 |
0 |
0 |
0 |
0.000 |
71 |
84 |
|
[BMA]E:204 |
2 |
1 |
287 |
f |
[NAG]E:202 |
x,y,z |
1_555 |
2 |
1 |
355 |
10.6 |
0.3 |
0.232 |
0 |
0 |
0 |
0.000 |
72 |
85 |
|
[BMA]A:205 |
4 |
1 |
294 |
f |
[NAG]A:202 |
x,y,z |
1_555 |
2 |
1 |
362 |
8.2 |
-0.0 |
0.125 |
0 |
0 |
0 |
0.000 |
73 |
86 |
|
[MAN]A:204 |
1 |
1 |
296 |
f |
[NAG]A:202 |
x,y,z |
1_555 |
1 |
1 |
362 |
7.8 |
0.3 |
0.312 |
0 |
0 |
0 |
0.000 |
74 |
87 |
|
[BMA]B:204 |
2 |
1 |
294 |
f |
B |
x,y,z |
1_555 |
2 |
1 |
8956 |
7.6 |
0.3 |
0.440 |
0 |
0 |
0 |
0.000 |
75 |
88 |
|
B |
2 |
1 |
8956 |
◊ |
[BMA]F:204 |
x-1/2,-y+1/2,-z |
4_455 |
1 |
1 |
292 |
6.7 |
-0.0 |
0.290 |
0 |
0 |
0 |
0.000 |
76 |
89 |
|
[MAN]A:204 |
1 |
1 |
296 |
f |
A |
x,y,z |
1_555 |
1 |
1 |
9600 |
4.7 |
0.2 |
0.378 |
0 |
0 |
0 |
0.000 |
77 |
90 |
|
[NAG]F:201 |
1 |
1 |
355 |
◊ |
A |
-x+3/2,-y,z-1/2 |
2_654 |
1 |
1 |
9600 |
1.4 |
0.0 |
0.272 |
0 |
0 |
0 |
0.000 |
78 |
91 |
|
[BMA]F:204 |
1 |
1 |
292 |
f |
F |
x,y,z |
1_555 |
1 |
1 |
9747 |
1.2 |
0.1 |
0.361 |
0 |
0 |
0 |
0.000 |
|