| ## |
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 |
|
D |
185 |
53 |
11375 |
◊ |
C |
x,y,z |
1_555 |
175 |
50 |
11406 |
1650.4 |
-27.7 |
0.092 |
7 |
0 |
0 |
1.000 |
2 |
|
L |
180 |
55 |
11324 |
◊ |
H |
x,y,z |
1_555 |
170 |
46 |
11437 |
1610.4 |
-25.4 |
0.140 |
12 |
1 |
0 |
1.000 |
| Average: |
1630.4 |
-26.6 |
0.116 |
10 |
1 |
0 |
1.000 |
| 2 |
3 |
|
H |
66 |
19 |
11437 |
◊ |
A |
x,y,z |
1_555 |
75 |
24 |
16574 |
636.0 |
-7.1 |
0.329 |
10 |
0 |
0 |
0.337 |
4 |
|
C |
60 |
21 |
11406 |
◊ |
B |
x,y,z |
1_555 |
72 |
25 |
16010 |
583.1 |
-6.3 |
0.172 |
8 |
0 |
0 |
0.337 |
| Average: |
609.5 |
-6.7 |
0.250 |
9 |
0 |
0 |
0.337 |
| 3 |
5 |
|
D |
56 |
15 |
11375 |
◊ |
B |
x,y,z |
1_555 |
57 |
20 |
16010 |
554.1 |
-7.4 |
0.183 |
7 |
2 |
0 |
0.340 |
6 |
|
L |
50 |
14 |
11324 |
◊ |
A |
x,y,z |
1_555 |
57 |
20 |
16574 |
539.9 |
-7.2 |
0.200 |
9 |
2 |
0 |
0.340 |
| Average: |
547.0 |
-7.3 |
0.191 |
8 |
2 |
0 |
0.340 |
| 4 |
7 |
|
B |
51 |
19 |
16010 |
◊ |
A |
-x,-y,z |
2_555 |
39 |
11 |
16574 |
438.2 |
-8.1 |
0.051 |
1 |
0 |
0 |
0.201 |
| 5 |
8 |
|
A |
44 |
12 |
16574 |
◊ |
D |
x-1/2,-y-1/2,-z |
4_445 |
41 |
15 |
11375 |
406.6 |
-1.0 |
0.593 |
3 |
2 |
0 |
0.062 |
| 6 |
9 |
|
H |
34 |
9 |
11437 |
◊ |
C |
x,y,z |
1_555 |
35 |
9 |
11406 |
346.4 |
-0.2 |
0.848 |
7 |
0 |
0 |
0.078 |
| 7 |
10 |
|
L |
34 |
9 |
11324 |
◊ |
D |
x,y,z-1 |
1_554 |
34 |
10 |
11375 |
324.6 |
-1.4 |
0.664 |
10 |
0 |
0 |
0.000 |
| 8 |
11 |
|
[NAG]G:1 |
13 |
1 |
356 |
cf |
B |
x,y,z |
1_555 |
27 |
11 |
16010 |
158.9 |
3.0 |
0.360 |
1 |
0 |
0 |
0.000 |
| 9 |
12 |
|
[NAG]F:1 |
13 |
1 |
362 |
cf |
A |
x,y,z |
1_555 |
25 |
10 |
16574 |
158.7 |
3.7 |
0.445 |
2 |
0 |
0 |
0.000 |
| 10 |
13 |
|
[NAG]B:402 |
10 |
1 |
353 |
cf |
B |
x,y,z |
1_555 |
12 |
6 |
16010 |
120.9 |
3.5 |
0.511 |
0 |
0 |
0 |
0.000 |
| 11 |
14 |
|
H |
13 |
5 |
11437 |
◊ |
D |
x,y,z-1 |
1_554 |
12 |
5 |
11375 |
114.8 |
-1.3 |
0.483 |
0 |
0 |
0 |
0.000 |
15 |
|
L |
12 |
5 |
11324 |
◊ |
C |
x,y,z-1 |
1_554 |
12 |
5 |
11406 |
108.3 |
-1.9 |
0.360 |
0 |
0 |
0 |
0.000 |
| Average: |
111.5 |
-1.6 |
0.422 |
0 |
0 |
0 |
0.000 |
| 12 |
16 |
|
L |
9 |
3 |
11324 |
◊ |
C |
x,y,z |
1_555 |
15 |
5 |
11406 |
113.3 |
-0.1 |
0.518 |
0 |
0 |
0 |
0.039 |
17 |
|
D |
13 |
5 |
11375 |
◊ |
H |
x,y,z |
1_555 |
12 |
5 |
11437 |
109.1 |
-1.1 |
0.522 |
1 |
0 |
0 |
0.039 |
| Average: |
111.2 |
-0.6 |
0.520 |
1 |
0 |
0 |
0.039 |
| 13 |
18 |
|
[NAG]G:1 |
10 |
1 |
356 |
◊ |
C |
x,y,z |
1_555 |
14 |
5 |
11406 |
96.6 |
1.7 |
0.330 |
2 |
0 |
0 |
0.000 |
| 14 |
19 |
|
[NAG]F:1 |
9 |
1 |
362 |
◊ |
H |
x,y,z |
1_555 |
16 |
5 |
11437 |
96.5 |
1.4 |
0.332 |
1 |
0 |
0 |
0.000 |
| 15 |
20 |
|
D |
9 |
3 |
11375 |
◊ |
B |
x-1/2,-y-1/2,-z |
4_445 |
11 |
6 |
16010 |
96.3 |
1.3 |
0.788 |
1 |
1 |
0 |
0.000 |
| 16 |
21 |
|
C |
8 |
3 |
11406 |
◊ |
A |
-x,-y,z |
2_555 |
10 |
3 |
16574 |
93.8 |
-1.6 |
0.309 |
0 |
0 |
0 |
0.021 |
| 17 |
22 |
|
[NAG]B:402 |
8 |
1 |
353 |
◊ |
A |
-x,-y,z |
2_555 |
15 |
2 |
16574 |
89.2 |
1.6 |
0.384 |
0 |
0 |
0 |
0.000 |
| 18 |
23 |
|
[GOL]C:302 |
5 |
1 |
217 |
◊ |
H |
x,y,z |
1_555 |
14 |
6 |
11437 |
85.4 |
-0.2 |
0.609 |
2 |
0 |
0 |
0.026 |
| 19 |
24 |
|
[NAG]F:2 |
9 |
1 |
357 |
f |
A |
x,y,z |
1_555 |
12 |
4 |
16574 |
82.7 |
0.8 |
0.192 |
0 |
0 |
0 |
0.000 |
| 20 |
25 |
|
[NAG]G:2 |
9 |
1 |
356 |
f |
B |
x,y,z |
1_555 |
11 |
3 |
16010 |
80.2 |
1.1 |
0.207 |
0 |
0 |
0 |
0.000 |
| 21 |
26 |
|
[GOL]C:301 |
6 |
1 |
218 |
◊ |
C |
x,y,z |
1_555 |
12 |
5 |
11406 |
80.1 |
-0.5 |
0.565 |
1 |
0 |
0 |
0.022 |
| 22 |
27 |
|
A |
12 |
5 |
16574 |
◊ |
C |
x-1/2,-y-1/2,-z |
4_445 |
6 |
2 |
11406 |
77.7 |
0.6 |
0.707 |
1 |
0 |
0 |
0.000 |
| 23 |
28 |
|
[NAG]F:2 |
9 |
1 |
357 |
◊ |
H |
x,y,z |
1_555 |
9 |
3 |
11437 |
77.5 |
0.7 |
0.194 |
0 |
0 |
0 |
0.000 |
| 24 |
29 |
|
[GOL]B:401 |
6 |
1 |
218 |
f |
B |
x,y,z |
1_555 |
10 |
5 |
16010 |
73.7 |
0.1 |
0.624 |
1 |
0 |
0 |
0.010 |
| 25 |
30 |
|
[GOL]C:302 |
6 |
1 |
217 |
f |
C |
x,y,z |
1_555 |
9 |
5 |
11406 |
70.9 |
-0.7 |
0.439 |
1 |
0 |
0 |
0.100 |
| 26 |
31 |
|
[NAG]G:2 |
8 |
1 |
356 |
◊ |
C |
x,y,z |
1_555 |
8 |
3 |
11406 |
69.4 |
0.9 |
0.294 |
2 |
0 |
0 |
0.000 |
| 27 |
32 |
|
[MAN]F:4 |
5 |
1 |
290 |
f |
A |
x,y,z |
1_555 |
6 |
3 |
16574 |
69.3 |
0.5 |
0.277 |
1 |
0 |
0 |
0.000 |
| 28 |
33 |
|
[GOL]C:301 |
5 |
1 |
218 |
f |
H |
x,y,z |
1_555 |
11 |
6 |
11437 |
68.3 |
-0.6 |
0.516 |
1 |
0 |
0 |
0.100 |
| 29 |
34 |
|
[MAN]G:4 |
6 |
1 |
292 |
cf |
[BMA]G:3 |
x,y,z |
1_555 |
4 |
1 |
290 |
63.1 |
2.5 |
0.314 |
0 |
0 |
0 |
0.000 |
| 30 |
35 |
|
[MAN]G:6 |
7 |
1 |
292 |
cf |
[MAN]G:4 |
x,y,z |
1_555 |
5 |
1 |
292 |
62.7 |
2.4 |
0.191 |
0 |
0 |
0 |
0.000 |
| 31 |
36 |
|
[NAG]G:2 |
9 |
1 |
356 |
cf |
[NAG]G:1 |
x,y,z |
1_555 |
6 |
1 |
356 |
62.7 |
1.1 |
0.083 |
1 |
0 |
0 |
0.000 |
| 32 |
37 |
|
[BMA]G:3 |
7 |
1 |
290 |
cf |
[NAG]G:2 |
x,y,z |
1_555 |
5 |
1 |
356 |
62.7 |
1.2 |
0.117 |
0 |
0 |
0 |
0.000 |
| 33 |
38 |
|
[MAN]F:5 |
4 |
1 |
290 |
cf |
[MAN]F:4 |
x,y,z |
1_555 |
6 |
1 |
290 |
59.4 |
3.0 |
0.349 |
0 |
0 |
0 |
0.000 |
| 34 |
39 |
|
[BMA]F:3 |
7 |
1 |
289 |
cf |
[NAG]F:2 |
x,y,z |
1_555 |
4 |
1 |
357 |
59.3 |
1.2 |
0.122 |
0 |
0 |
0 |
0.000 |
| 35 |
40 |
|
[MAN]G:5 |
6 |
1 |
292 |
cf |
[MAN]G:4 |
x,y,z |
1_555 |
5 |
1 |
292 |
59.0 |
2.5 |
0.225 |
0 |
0 |
0 |
0.000 |
| 36 |
41 |
|
[MAN]F:4 |
6 |
1 |
290 |
cf |
[BMA]F:3 |
x,y,z |
1_555 |
5 |
1 |
289 |
58.1 |
2.6 |
0.287 |
0 |
0 |
0 |
0.000 |
| 37 |
42 |
|
[MAN]F:6 |
6 |
1 |
289 |
cf |
[BMA]F:3 |
x,y,z |
1_555 |
5 |
1 |
289 |
57.8 |
2.4 |
0.247 |
0 |
0 |
0 |
0.000 |
| 38 |
43 |
|
[MAN]F:7 |
6 |
1 |
292 |
cf |
[MAN]F:6 |
x,y,z |
1_555 |
5 |
1 |
289 |
57.8 |
2.4 |
0.226 |
0 |
0 |
0 |
0.000 |
| 39 |
44 |
|
[MAN]G:7 |
6 |
1 |
289 |
cf |
[BMA]G:3 |
x,y,z |
1_555 |
6 |
1 |
290 |
55.8 |
2.3 |
0.205 |
0 |
0 |
0 |
0.000 |
| 40 |
45 |
|
[NAG]F:2 |
7 |
1 |
357 |
cf |
[NAG]F:1 |
x,y,z |
1_555 |
4 |
1 |
362 |
54.7 |
1.0 |
0.102 |
0 |
0 |
0 |
0.000 |
| 41 |
46 |
|
H |
8 |
3 |
11437 |
◊ |
B |
x-1/2,-y-1/2,-z |
4_445 |
8 |
4 |
16010 |
50.8 |
0.2 |
0.699 |
0 |
0 |
0 |
0.000 |
| 42 |
47 |
|
[GOL]B:401 |
4 |
1 |
218 |
◊ |
C |
x,y,z |
1_555 |
5 |
4 |
11406 |
44.3 |
0.7 |
0.739 |
2 |
0 |
0 |
0.006 |
| 43 |
48 |
|
B |
5 |
2 |
16010 |
◊ |
B |
-x+1,-y,z |
2_655 |
5 |
2 |
16010 |
42.4 |
-0.7 |
0.336 |
0 |
0 |
0 |
0.000 |
| 44 |
49 |
|
L |
7 |
5 |
11324 |
◊ |
B |
x-1/2,-y-1/2,-z-1 |
4_444 |
5 |
3 |
16010 |
39.6 |
1.1 |
0.876 |
0 |
0 |
0 |
0.000 |
| 45 |
50 |
|
[BMA]G:3 |
4 |
1 |
290 |
◊ |
C |
x,y,z |
1_555 |
5 |
1 |
11406 |
29.6 |
0.5 |
0.346 |
0 |
0 |
0 |
0.000 |
51 |
|
[BMA]F:3 |
4 |
1 |
289 |
◊ |
H |
x,y,z |
1_555 |
5 |
1 |
11437 |
29.2 |
0.5 |
0.349 |
0 |
0 |
0 |
0.000 |
| Average: |
29.4 |
0.5 |
0.348 |
0 |
0 |
0 |
0.000 |
| 46 |
52 |
|
[GOL]C:301 |
2 |
1 |
218 |
◊ |
D |
x,y,z |
1_555 |
5 |
2 |
11375 |
29.6 |
-0.4 |
0.488 |
0 |
0 |
0 |
0.011 |
| 47 |
53 |
|
[GOL]C:302 |
4 |
1 |
217 |
◊ |
[GOL]C:301 |
x,y,z |
1_555 |
2 |
1 |
218 |
24.6 |
-0.1 |
0.594 |
0 |
0 |
0 |
0.002 |
| 48 |
54 |
|
[GOL]C:302 |
2 |
1 |
217 |
◊ |
L |
x,y,z |
1_555 |
3 |
2 |
11324 |
23.5 |
0.1 |
0.569 |
0 |
0 |
0 |
0.000 |
| 49 |
55 |
|
[MAN]F:7 |
2 |
1 |
292 |
f |
[BMA]F:3 |
x,y,z |
1_555 |
3 |
1 |
289 |
20.6 |
1.0 |
0.271 |
0 |
0 |
0 |
0.000 |
| 50 |
56 |
|
[MAN]F:5 |
2 |
1 |
290 |
f |
[BMA]F:3 |
x,y,z |
1_555 |
3 |
1 |
289 |
19.7 |
0.8 |
0.263 |
0 |
0 |
0 |
0.000 |
| 51 |
57 |
|
[MAN]F:4 |
4 |
1 |
290 |
f |
[NAG]F:2 |
x,y,z |
1_555 |
3 |
1 |
357 |
11.6 |
0.3 |
0.164 |
0 |
0 |
0 |
0.000 |
| 52 |
58 |
|
[MAN]G:5 |
1 |
1 |
292 |
f |
[BMA]G:3 |
x,y,z |
1_555 |
1 |
1 |
290 |
11.0 |
0.5 |
0.315 |
0 |
0 |
0 |
0.000 |
| 53 |
59 |
|
[MAN]G:4 |
2 |
1 |
292 |
f |
[NAG]G:2 |
x,y,z |
1_555 |
1 |
1 |
356 |
9.9 |
0.4 |
0.307 |
0 |
0 |
0 |
0.000 |
| 54 |
60 |
|
C |
1 |
1 |
11406 |
◊ |
B |
x-1/2,-y-1/2,-z |
4_445 |
2 |
1 |
16010 |
8.9 |
0.1 |
0.471 |
0 |
0 |
0 |
0.000 |
| 55 |
61 |
|
[MAN]F:6 |
2 |
1 |
289 |
f |
[NAG]F:2 |
x,y,z |
1_555 |
1 |
1 |
357 |
8.1 |
0.4 |
0.238 |
0 |
0 |
0 |
0.000 |
| 56 |
62 |
|
[MAN]G:7 |
2 |
1 |
289 |
f |
[MAN]G:4 |
x,y,z |
1_555 |
2 |
1 |
292 |
7.0 |
0.5 |
0.264 |
0 |
0 |
0 |
0.000 |
| 57 |
63 |
|
[BMA]F:3 |
2 |
1 |
289 |
f |
A |
x,y,z |
1_555 |
1 |
1 |
16574 |
3.5 |
-0.0 |
0.300 |
0 |
0 |
0 |
0.000 |
| 58 |
64 |
|
[MAN]G:6 |
1 |
1 |
292 |
f |
[BMA]G:3 |
x,y,z |
1_555 |
1 |
1 |
290 |
2.6 |
0.0 |
0.182 |
0 |
0 |
0 |
0.000 |
| 59 |
65 |
|
[MAN]G:7 |
1 |
1 |
289 |
f |
[NAG]G:2 |
x,y,z |
1_555 |
1 |
1 |
356 |
1.9 |
0.0 |
0.161 |
0 |
0 |
0 |
0.000 |
|