| ## |
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 |
|
B |
209 |
50 |
32478 |
◊ |
A |
x,y,z |
1_555 |
210 |
51 |
32386 |
1758.9 |
-22.5 |
0.007 |
10 |
1 |
0 |
0.000 |
| 2 |
2 |
|
A |
144 |
46 |
32386 |
◊ |
A |
-x+2,y,-z |
2_755 |
144 |
46 |
32386 |
1212.6 |
7.2 |
0.841 |
10 |
4 |
0 |
0.000 |
| 3 |
3 |
|
B |
47 |
16 |
32478 |
x |
B |
-x+5/2,y-1/2,-z+1 |
4_746 |
50 |
16 |
32478 |
441.5 |
7.1 |
0.940 |
11 |
4 |
0 |
0.000 |
| 4 |
4 |
|
A |
25 |
7 |
32386 |
◊ |
B |
x-1/2,y+1/2,z |
3_455 |
25 |
9 |
32478 |
235.8 |
0.0 |
0.543 |
2 |
0 |
0 |
0.000 |
| 5 |
5 |
|
[NAG]C:1 |
14 |
1 |
363 |
cf |
A |
x,y,z |
1_555 |
37 |
15 |
32386 |
229.3 |
5.1 |
0.391 |
3 |
0 |
0 |
0.000 |
6 |
|
[NAG]F:1 |
14 |
1 |
362 |
cf |
B |
x,y,z |
1_555 |
37 |
15 |
32478 |
228.5 |
5.1 |
0.415 |
3 |
0 |
0 |
0.000 |
| Average: |
228.9 |
5.1 |
0.403 |
3 |
0 |
0 |
0.000 |
| 6 |
7 |
|
[NAG]G:1 |
12 |
1 |
363 |
cf |
B |
x,y,z |
1_555 |
26 |
15 |
32478 |
199.7 |
5.5 |
0.511 |
2 |
0 |
0 |
0.000 |
8 |
|
[NAG]D:1 |
12 |
1 |
362 |
cf |
A |
x,y,z |
1_555 |
27 |
16 |
32386 |
199.3 |
5.5 |
0.499 |
2 |
0 |
0 |
0.000 |
| Average: |
199.5 |
5.5 |
0.505 |
2 |
0 |
0 |
0.000 |
| 7 |
9 |
|
[NAG]H:1 |
13 |
1 |
363 |
cf |
B |
x,y,z |
1_555 |
25 |
15 |
32478 |
192.2 |
5.9 |
0.524 |
4 |
0 |
0 |
0.000 |
10 |
|
[NAG]E:1 |
13 |
1 |
362 |
cf |
A |
x,y,z |
1_555 |
25 |
15 |
32386 |
183.3 |
5.8 |
0.504 |
3 |
0 |
0 |
0.000 |
| Average: |
187.7 |
5.9 |
0.514 |
4 |
0 |
0 |
0.000 |
| 8 |
11 |
|
[NAG]C:2 |
13 |
1 |
359 |
f |
A |
x,y,z |
1_555 |
25 |
7 |
32386 |
165.4 |
4.7 |
0.398 |
1 |
0 |
0 |
0.000 |
12 |
|
[NAG]F:2 |
12 |
1 |
359 |
f |
B |
x,y,z |
1_555 |
25 |
7 |
32478 |
163.3 |
4.7 |
0.426 |
1 |
0 |
0 |
0.000 |
| Average: |
164.4 |
4.7 |
0.412 |
1 |
0 |
0 |
0.000 |
| 9 |
13 |
|
[NAG]A:920 |
12 |
1 |
355 |
cf |
A |
x,y,z |
1_555 |
19 |
8 |
32386 |
146.2 |
2.8 |
0.280 |
1 |
0 |
0 |
0.000 |
| 10 |
14 |
|
[NAG]A:903 |
12 |
1 |
363 |
cf |
A |
x,y,z |
1_555 |
16 |
7 |
32386 |
140.8 |
2.6 |
0.262 |
0 |
0 |
0 |
0.000 |
15 |
|
[NAG]B:903 |
12 |
1 |
365 |
cf |
B |
x,y,z |
1_555 |
15 |
6 |
32478 |
133.9 |
2.5 |
0.266 |
0 |
0 |
0 |
0.000 |
| Average: |
137.4 |
2.6 |
0.264 |
0 |
0 |
0 |
0.000 |
| 11 |
16 |
|
[NAG]H:2 |
11 |
1 |
364 |
f |
B |
x,y,z |
1_555 |
14 |
6 |
32478 |
135.2 |
4.0 |
0.441 |
2 |
0 |
0 |
0.000 |
17 |
|
[NAG]E:2 |
10 |
1 |
361 |
f |
A |
x,y,z |
1_555 |
15 |
6 |
32386 |
125.1 |
3.4 |
0.421 |
2 |
0 |
0 |
0.000 |
| Average: |
130.2 |
3.7 |
0.431 |
2 |
0 |
0 |
0.000 |
| 12 |
18 |
|
[NAG]B:902 |
10 |
1 |
363 |
cf |
B |
x,y,z |
1_555 |
15 |
5 |
32478 |
131.6 |
4.4 |
0.487 |
4 |
0 |
0 |
0.000 |
19 |
|
[NAG]A:902 |
10 |
1 |
362 |
cf |
A |
x,y,z |
1_555 |
14 |
5 |
32386 |
129.9 |
4.4 |
0.466 |
5 |
0 |
0 |
0.000 |
| Average: |
130.8 |
4.4 |
0.477 |
5 |
0 |
0 |
0.000 |
| 13 |
20 |
|
[NAG]A:920 |
10 |
1 |
355 |
◊ |
A |
-x+2,y,-z |
2_755 |
15 |
7 |
32386 |
125.1 |
3.2 |
0.400 |
1 |
0 |
0 |
0.000 |
| 14 |
21 |
|
[NAG]B:917 |
10 |
1 |
363 |
cf |
B |
x,y,z |
1_555 |
15 |
6 |
32478 |
120.0 |
2.6 |
0.304 |
0 |
0 |
0 |
0.000 |
| 15 |
22 |
|
B |
11 |
5 |
32478 |
x |
B |
x-1/2,y-1/2,z |
3_445 |
18 |
7 |
32478 |
108.7 |
2.1 |
0.815 |
2 |
4 |
0 |
0.000 |
| 16 |
23 |
|
B |
14 |
4 |
32478 |
◊ |
[NAG]B:917 |
-x+5/2,y-1/2,-z+1 |
4_746 |
9 |
1 |
363 |
101.1 |
0.9 |
0.206 |
0 |
0 |
0 |
0.000 |
| 17 |
24 |
|
[NAG]B:901 |
10 |
1 |
360 |
cf |
B |
x,y,z |
1_555 |
12 |
5 |
32478 |
96.0 |
2.1 |
0.298 |
0 |
0 |
0 |
0.000 |
25 |
|
[NAG]A:901 |
9 |
1 |
359 |
cf |
A |
x,y,z |
1_555 |
11 |
4 |
32386 |
95.0 |
2.2 |
0.330 |
0 |
0 |
0 |
0.000 |
| Average: |
95.5 |
2.1 |
0.314 |
0 |
0 |
0 |
0.000 |
| 18 |
26 |
|
[NAG]A:904 |
11 |
1 |
358 |
cf |
A |
x,y,z |
1_555 |
8 |
4 |
32386 |
86.3 |
1.6 |
0.204 |
0 |
0 |
0 |
0.000 |
| 19 |
27 |
|
[FMT]B:919 |
3 |
1 |
151 |
f |
B |
x,y,z |
1_555 |
17 |
8 |
32478 |
81.2 |
0.3 |
0.618 |
2 |
0 |
0 |
0.000 |
| 20 |
28 |
|
[NAG]G:2 |
10 |
1 |
364 |
cf |
[NAG]G:1 |
x,y,z |
1_555 |
7 |
1 |
363 |
74.7 |
1.8 |
0.074 |
1 |
0 |
0 |
0.000 |
29 |
|
[NAG]F:2 |
9 |
1 |
359 |
cf |
[NAG]F:1 |
x,y,z |
1_555 |
6 |
1 |
362 |
67.0 |
1.6 |
0.093 |
0 |
0 |
0 |
0.000 |
30 |
|
[NAG]C:2 |
9 |
1 |
359 |
cf |
[NAG]C:1 |
x,y,z |
1_555 |
6 |
1 |
363 |
66.8 |
1.6 |
0.098 |
0 |
0 |
0 |
0.000 |
| Average: |
69.5 |
1.7 |
0.088 |
0 |
0 |
0 |
0.000 |
| 21 |
31 |
|
[NAG]D:2 |
9 |
1 |
365 |
cf |
[NAG]D:1 |
x,y,z |
1_555 |
6 |
1 |
362 |
74.5 |
1.8 |
0.089 |
0 |
0 |
0 |
0.000 |
| 22 |
32 |
|
[NAG]H:2 |
9 |
1 |
364 |
cf |
[NAG]H:1 |
x,y,z |
1_555 |
7 |
1 |
363 |
68.0 |
1.4 |
0.078 |
0 |
0 |
0 |
0.000 |
33 |
|
[NAG]E:2 |
10 |
1 |
361 |
cf |
[NAG]E:1 |
x,y,z |
1_555 |
7 |
1 |
362 |
66.7 |
1.4 |
0.065 |
0 |
0 |
0 |
0.000 |
| Average: |
67.4 |
1.4 |
0.072 |
0 |
0 |
0 |
0.000 |
| 23 |
34 |
|
[MAN]F:5 |
7 |
1 |
294 |
cf |
[BMA]F:3 |
x,y,z |
1_555 |
5 |
1 |
290 |
61.5 |
2.5 |
0.207 |
0 |
0 |
0 |
0.000 |
35 |
|
[MAN]C:6 |
7 |
1 |
293 |
cf |
[BMA]C:3 |
x,y,z |
1_555 |
5 |
1 |
290 |
61.0 |
2.4 |
0.207 |
0 |
0 |
0 |
0.000 |
| Average: |
61.2 |
2.5 |
0.207 |
0 |
0 |
0 |
0.000 |
| 24 |
36 |
|
[MAN]E:4 |
7 |
1 |
294 |
cf |
[BMA]E:3 |
x,y,z |
1_555 |
6 |
1 |
292 |
61.4 |
2.7 |
0.182 |
0 |
0 |
0 |
0.000 |
37 |
|
[MAN]H:4 |
7 |
1 |
293 |
cf |
[BMA]H:3 |
x,y,z |
1_555 |
5 |
1 |
293 |
61.0 |
2.7 |
0.227 |
0 |
0 |
0 |
0.000 |
| Average: |
61.2 |
2.7 |
0.205 |
0 |
0 |
0 |
0.000 |
| 25 |
38 |
|
[NAG]D:2 |
5 |
1 |
365 |
f |
A |
x,y,z |
1_555 |
9 |
5 |
32386 |
61.0 |
0.9 |
0.285 |
0 |
0 |
0 |
0.000 |
39 |
|
[NAG]G:2 |
5 |
1 |
364 |
f |
B |
x,y,z |
1_555 |
7 |
5 |
32478 |
54.6 |
1.0 |
0.301 |
0 |
0 |
0 |
0.000 |
| Average: |
57.8 |
0.9 |
0.293 |
0 |
0 |
0 |
0.000 |
| 26 |
40 |
|
[BMA]C:3 |
6 |
1 |
290 |
cf |
[NAG]C:2 |
x,y,z |
1_555 |
6 |
1 |
359 |
59.2 |
0.9 |
0.098 |
0 |
0 |
0 |
0.000 |
41 |
|
[BMA]F:3 |
7 |
1 |
290 |
cf |
[NAG]F:2 |
x,y,z |
1_555 |
5 |
1 |
359 |
58.8 |
0.9 |
0.098 |
0 |
0 |
0 |
0.000 |
42 |
|
[BMA]E:3 |
7 |
1 |
292 |
cf |
[NAG]E:2 |
x,y,z |
1_555 |
4 |
1 |
361 |
57.7 |
1.0 |
0.106 |
0 |
0 |
0 |
0.000 |
| Average: |
58.6 |
1.0 |
0.101 |
0 |
0 |
0 |
0.000 |
| 27 |
43 |
|
[BMA]G:3 |
6 |
1 |
294 |
cf |
[NAG]G:2 |
x,y,z |
1_555 |
5 |
1 |
364 |
58.2 |
1.3 |
0.124 |
0 |
0 |
0 |
0.000 |
44 |
|
[BMA]D:3 |
6 |
1 |
292 |
cf |
[NAG]D:2 |
x,y,z |
1_555 |
5 |
1 |
365 |
57.9 |
1.3 |
0.131 |
0 |
0 |
0 |
0.000 |
| Average: |
58.1 |
1.3 |
0.128 |
0 |
0 |
0 |
0.000 |
| 28 |
45 |
|
[BMA]H:3 |
6 |
1 |
293 |
cf |
[NAG]H:2 |
x,y,z |
1_555 |
4 |
1 |
364 |
57.5 |
1.0 |
0.109 |
0 |
0 |
0 |
0.000 |
| 29 |
46 |
|
[MAN]F:4 |
6 |
1 |
292 |
cf |
[BMA]F:3 |
x,y,z |
1_555 |
5 |
1 |
290 |
57.3 |
2.4 |
0.249 |
0 |
0 |
0 |
0.000 |
| 30 |
47 |
|
[MAN]C:5 |
4 |
1 |
293 |
cf |
[MAN]C:4 |
x,y,z |
1_555 |
5 |
1 |
293 |
57.3 |
2.8 |
0.344 |
0 |
0 |
0 |
0.000 |
| 31 |
48 |
|
[MAN]H:5 |
5 |
1 |
293 |
cf |
[BMA]H:3 |
x,y,z |
1_555 |
5 |
1 |
293 |
57.0 |
2.6 |
0.302 |
0 |
0 |
0 |
0.000 |
49 |
|
[MAN]E:6 |
5 |
1 |
295 |
cf |
[BMA]E:3 |
x,y,z |
1_555 |
6 |
1 |
292 |
55.4 |
2.6 |
0.255 |
0 |
0 |
0 |
0.000 |
| Average: |
56.2 |
2.6 |
0.278 |
0 |
0 |
0 |
0.000 |
| 32 |
50 |
|
[MAN]C:4 |
6 |
1 |
293 |
cf |
[BMA]C:3 |
x,y,z |
1_555 |
5 |
1 |
290 |
56.5 |
2.5 |
0.236 |
0 |
0 |
0 |
0.000 |
| 33 |
51 |
|
[MAN]E:5 |
6 |
1 |
293 |
cf |
[MAN]E:4 |
x,y,z |
1_555 |
5 |
1 |
294 |
53.5 |
2.4 |
0.237 |
0 |
0 |
0 |
0.000 |
| 34 |
52 |
|
[MAN]C:4 |
5 |
1 |
293 |
f |
A |
x,y,z |
1_555 |
7 |
4 |
32386 |
51.3 |
0.9 |
0.290 |
2 |
0 |
0 |
0.000 |
| 35 |
53 |
|
[BMA]E:3 |
5 |
1 |
292 |
f |
A |
x,y,z |
1_555 |
5 |
2 |
32386 |
38.3 |
0.8 |
0.309 |
1 |
0 |
0 |
0.000 |
54 |
|
[BMA]H:3 |
5 |
1 |
293 |
f |
B |
x,y,z |
1_555 |
5 |
2 |
32478 |
38.1 |
0.8 |
0.310 |
1 |
0 |
0 |
0.000 |
| Average: |
38.2 |
0.8 |
0.310 |
1 |
0 |
0 |
0.000 |
| 36 |
55 |
|
[NAG]A:920 |
4 |
1 |
355 |
◊ |
[NAG]A:920 |
-x+2,y,-z |
2_755 |
4 |
1 |
355 |
36.5 |
2.1 |
0.331 |
0 |
0 |
0 |
0.000 |
| 37 |
56 |
|
[MAN]F:4 |
5 |
1 |
292 |
f |
B |
x,y,z |
1_555 |
6 |
3 |
32478 |
27.8 |
0.6 |
0.294 |
0 |
0 |
0 |
0.000 |
| 38 |
57 |
|
[MAN]C:5 |
3 |
1 |
293 |
f |
[BMA]C:3 |
x,y,z |
1_555 |
3 |
1 |
290 |
23.0 |
0.8 |
0.207 |
0 |
0 |
0 |
0.000 |
| 39 |
58 |
|
[MAN]E:5 |
2 |
1 |
293 |
f |
[BMA]E:3 |
x,y,z |
1_555 |
3 |
1 |
292 |
22.0 |
0.9 |
0.278 |
0 |
0 |
0 |
0.000 |
| 40 |
59 |
|
[NAG]A:902 |
3 |
1 |
362 |
◊ |
A |
-x+2,y,-z |
2_755 |
4 |
2 |
32386 |
20.8 |
0.4 |
0.292 |
0 |
0 |
0 |
0.000 |
| 41 |
60 |
|
[BMA]G:3 |
3 |
1 |
294 |
f |
B |
x,y,z |
1_555 |
5 |
1 |
32478 |
20.7 |
0.5 |
0.423 |
0 |
0 |
0 |
0.000 |
61 |
|
[BMA]D:3 |
3 |
1 |
292 |
f |
A |
x,y,z |
1_555 |
6 |
1 |
32386 |
20.2 |
0.4 |
0.407 |
0 |
0 |
0 |
0.000 |
| Average: |
20.5 |
0.5 |
0.415 |
0 |
0 |
0 |
0.000 |
| 42 |
62 |
|
[MAN]E:6 |
2 |
1 |
295 |
f |
A |
x,y,z |
1_555 |
4 |
2 |
32386 |
20.4 |
0.6 |
0.496 |
0 |
0 |
0 |
0.000 |
| 43 |
63 |
|
[MAN]E:4 |
3 |
1 |
294 |
f |
[NAG]E:2 |
x,y,z |
1_555 |
3 |
1 |
361 |
18.5 |
0.5 |
0.221 |
0 |
0 |
0 |
0.000 |
64 |
|
[MAN]H:4 |
3 |
1 |
293 |
f |
[NAG]H:2 |
x,y,z |
1_555 |
4 |
1 |
364 |
18.3 |
0.4 |
0.177 |
0 |
0 |
0 |
0.000 |
| Average: |
18.4 |
0.5 |
0.199 |
0 |
0 |
0 |
0.000 |
| 44 |
65 |
|
A |
4 |
2 |
32386 |
x |
A |
-x+5/2,y-1/2,-z |
4_745 |
1 |
1 |
32386 |
17.0 |
0.9 |
0.845 |
0 |
0 |
0 |
0.000 |
| 45 |
66 |
|
[MAN]H:5 |
2 |
1 |
293 |
f |
B |
x,y,z |
1_555 |
4 |
2 |
32478 |
16.4 |
0.5 |
0.426 |
0 |
0 |
0 |
0.000 |
| 46 |
67 |
|
[BMA]C:3 |
3 |
1 |
290 |
f |
A |
x,y,z |
1_555 |
2 |
1 |
32386 |
15.3 |
0.6 |
0.466 |
0 |
0 |
0 |
0.000 |
68 |
|
[BMA]F:3 |
3 |
1 |
290 |
f |
B |
x,y,z |
1_555 |
2 |
1 |
32478 |
14.4 |
0.6 |
0.471 |
0 |
0 |
0 |
0.000 |
| Average: |
14.8 |
0.6 |
0.469 |
0 |
0 |
0 |
0.000 |
| 47 |
69 |
|
[FMT]B:919 |
2 |
1 |
151 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
32386 |
13.8 |
-0.3 |
0.280 |
0 |
0 |
0 |
0.000 |
| 48 |
70 |
|
[MAN]C:6 |
2 |
1 |
293 |
f |
[NAG]C:2 |
x,y,z |
1_555 |
1 |
1 |
359 |
10.5 |
0.5 |
0.307 |
0 |
0 |
0 |
0.000 |
71 |
|
[MAN]F:5 |
2 |
1 |
294 |
f |
[NAG]F:2 |
x,y,z |
1_555 |
1 |
1 |
359 |
10.3 |
0.4 |
0.275 |
0 |
0 |
0 |
0.000 |
| Average: |
10.4 |
0.5 |
0.291 |
0 |
0 |
0 |
0.000 |
| 49 |
72 |
|
[NAG]A:901 |
1 |
1 |
359 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
32478 |
8.9 |
-0.0 |
0.310 |
0 |
0 |
0 |
0.000 |
73 |
|
[NAG]B:901 |
1 |
1 |
360 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
32386 |
8.4 |
-0.0 |
0.310 |
0 |
0 |
0 |
0.000 |
| Average: |
8.7 |
-0.0 |
0.310 |
0 |
0 |
0 |
0.000 |
| 50 |
74 |
|
[MAN]C:4 |
2 |
1 |
293 |
f |
[NAG]C:2 |
x,y,z |
1_555 |
2 |
1 |
359 |
8.4 |
0.3 |
0.225 |
0 |
0 |
0 |
0.000 |
| 51 |
75 |
|
B |
2 |
2 |
32478 |
x |
B |
x-1/2,y+1/2,z |
3_455 |
1 |
1 |
32478 |
7.2 |
0.1 |
0.635 |
0 |
0 |
0 |
0.000 |
| 52 |
76 |
|
[MAN]E:6 |
2 |
1 |
295 |
f |
[NAG]E:2 |
x,y,z |
1_555 |
2 |
1 |
361 |
6.1 |
0.2 |
0.232 |
0 |
0 |
0 |
0.000 |
77 |
|
[MAN]H:5 |
1 |
1 |
293 |
f |
[NAG]H:2 |
x,y,z |
1_555 |
2 |
1 |
364 |
5.3 |
0.2 |
0.193 |
0 |
0 |
0 |
0.000 |
| Average: |
5.7 |
0.2 |
0.212 |
0 |
0 |
0 |
0.000 |
| 53 |
78 |
|
[MAN]F:4 |
1 |
1 |
292 |
f |
[NAG]F:2 |
x,y,z |
1_555 |
1 |
1 |
359 |
4.6 |
0.0 |
0.161 |
0 |
0 |
0 |
0.000 |
| 54 |
79 |
|
B |
1 |
1 |
32478 |
◊ |
B |
-x+2,y,-z+1 |
2_756 |
1 |
1 |
32478 |
2.1 |
0.1 |
0.741 |
0 |
0 |
0 |
0.000 |
| 55 |
80 |
|
[MAN]C:5 |
1 |
1 |
293 |
f |
A |
x,y,z |
1_555 |
1 |
1 |
32386 |
1.3 |
0.1 |
0.355 |
0 |
0 |
0 |
0.000 |
| 56 |
81 |
|
B |
1 |
1 |
32478 |
◊ |
A |
x,y-1,z |
1_545 |
1 |
1 |
32386 |
0.3 |
0.0 |
0.659 |
0 |
0 |
0 |
0.000 |
|