| ## |
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 |
100 |
26 |
17401 |
◊ |
A |
x-2,y,z-1 |
1_354 |
98 |
27 |
17159 |
885.8 |
-1.4 |
0.586 |
5 |
0 |
0 |
0.000 |
2 |
|
B |
87 |
26 |
16916 |
◊ |
C |
x-2,y,z-1 |
1_354 |
94 |
27 |
17086 |
782.9 |
-5.7 |
0.298 |
3 |
0 |
0 |
0.000 |
| Average: |
834.3 |
-3.5 |
0.442 |
4 |
0 |
0 |
0.000 |
| 2 |
3 |
|
B |
68 |
25 |
16916 |
◊ |
C |
x-1,y,z-1 |
1_454 |
70 |
23 |
17086 |
636.8 |
-5.7 |
0.227 |
3 |
2 |
0 |
0.000 |
| 3 |
4 |
|
B |
62 |
19 |
16916 |
◊ |
A |
x-1,y+1,z-1 |
1_464 |
64 |
19 |
17159 |
564.3 |
1.0 |
0.732 |
1 |
3 |
0 |
0.000 |
| 4 |
5 |
|
D |
49 |
13 |
17401 |
◊ |
C |
x-1,y-1,z |
1_445 |
44 |
13 |
17086 |
426.9 |
-2.7 |
0.389 |
0 |
0 |
0 |
0.000 |
| 5 |
6 |
|
D |
41 |
11 |
17401 |
◊ |
B |
x,y,z |
1_555 |
33 |
10 |
16916 |
348.4 |
-8.1 |
0.032 |
1 |
0 |
1 |
0.000 |
| 6 |
7 |
|
D |
39 |
11 |
17401 |
x |
D |
x-1,y,z |
1_455 |
33 |
15 |
17401 |
348.1 |
-0.1 |
0.599 |
0 |
0 |
0 |
0.000 |
| 7 |
8 |
|
C |
36 |
11 |
17086 |
◊ |
A |
x,y,z |
1_555 |
30 |
10 |
17159 |
332.5 |
-8.2 |
0.018 |
2 |
0 |
1 |
0.000 |
| 8 |
9 |
|
A |
27 |
12 |
17159 |
x |
A |
x-1,y,z |
1_455 |
28 |
8 |
17159 |
220.6 |
1.0 |
0.719 |
0 |
0 |
0 |
0.000 |
| 9 |
10 |
|
[NAG]F:1 |
13 |
1 |
361 |
cf |
B |
x,y,z |
1_555 |
30 |
10 |
16916 |
184.9 |
5.3 |
0.501 |
0 |
0 |
0 |
0.000 |
11 |
|
[NAG]G:1 |
12 |
1 |
363 |
cf |
C |
x,y,z |
1_555 |
27 |
9 |
17086 |
178.5 |
5.2 |
0.507 |
1 |
0 |
0 |
0.000 |
| Average: |
181.7 |
5.2 |
0.504 |
1 |
0 |
0 |
0.000 |
| 10 |
12 |
|
[NAG]E:1 |
12 |
1 |
361 |
cf |
A |
x,y,z |
1_555 |
30 |
12 |
17159 |
184.6 |
5.4 |
0.552 |
1 |
0 |
0 |
0.000 |
| 11 |
13 |
|
[NAG]H:1 |
12 |
1 |
363 |
cf |
D |
x,y,z |
1_555 |
29 |
9 |
17401 |
175.9 |
5.0 |
0.500 |
0 |
0 |
0 |
0.000 |
| 12 |
14 |
|
[NAG]H:2 |
11 |
1 |
357 |
f |
D |
x,y,z |
1_555 |
17 |
4 |
17401 |
108.5 |
1.9 |
0.221 |
1 |
0 |
0 |
0.000 |
| 13 |
15 |
|
[NAG]G:2 |
10 |
1 |
363 |
f |
C |
x,y,z |
1_555 |
16 |
4 |
17086 |
104.4 |
2.2 |
0.308 |
1 |
0 |
0 |
0.000 |
| 14 |
16 |
|
[NAG]F:2 |
10 |
1 |
356 |
f |
B |
x,y,z |
1_555 |
16 |
4 |
16916 |
99.1 |
2.0 |
0.276 |
0 |
0 |
0 |
0.000 |
17 |
|
[NAG]E:2 |
9 |
1 |
358 |
f |
A |
x,y,z |
1_555 |
16 |
4 |
17159 |
98.6 |
1.8 |
0.300 |
0 |
0 |
0 |
0.000 |
| Average: |
98.9 |
1.9 |
0.288 |
0 |
0 |
0 |
0.000 |
| 15 |
18 |
|
A |
12 |
3 |
17159 |
◊ |
B |
x,y-1,z+1 |
1_546 |
10 |
3 |
16916 |
82.1 |
-0.3 |
0.535 |
0 |
0 |
0 |
0.000 |
| 16 |
19 |
|
C |
13 |
5 |
17086 |
x |
C |
x-1,y,z |
1_455 |
6 |
3 |
17086 |
75.2 |
0.3 |
0.567 |
0 |
0 |
0 |
0.000 |
| 17 |
20 |
|
[BMA]F:3 |
6 |
1 |
290 |
◊ |
C |
x-1,y,z |
1_455 |
8 |
4 |
17086 |
70.6 |
0.6 |
0.238 |
0 |
0 |
0 |
0.000 |
| 18 |
21 |
|
[NAG]G:2 |
9 |
1 |
363 |
cf |
[NAG]G:1 |
x,y,z |
1_555 |
7 |
1 |
363 |
68.6 |
1.1 |
0.068 |
0 |
0 |
0 |
0.000 |
22 |
|
[NAG]H:2 |
6 |
1 |
357 |
cf |
[NAG]H:1 |
x,y,z |
1_555 |
5 |
1 |
363 |
62.2 |
0.9 |
0.122 |
0 |
0 |
0 |
0.000 |
| Average: |
65.4 |
1.0 |
0.095 |
0 |
0 |
0 |
0.000 |
| 19 |
23 |
|
[CL]C:401 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
10 |
6 |
17086 |
65.2 |
-9.3 |
0.000 |
0 |
0 |
0 |
0.000 |
24 |
|
[CL]B:401 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
13 |
7 |
16916 |
64.8 |
-8.3 |
0.000 |
0 |
0 |
0 |
0.000 |
| Average: |
65.0 |
-8.8 |
0.000 |
0 |
0 |
0 |
0.000 |
| 20 |
25 |
|
A |
6 |
1 |
17159 |
◊ |
C |
x,y-1,z |
1_545 |
10 |
3 |
17086 |
64.7 |
-1.6 |
0.201 |
0 |
0 |
0 |
0.000 |
| 21 |
26 |
|
[NAG]F:2 |
8 |
1 |
356 |
cf |
[NAG]F:1 |
x,y,z |
1_555 |
5 |
1 |
361 |
61.6 |
0.8 |
0.074 |
0 |
0 |
0 |
0.000 |
| 22 |
27 |
|
[BMA]F:3 |
8 |
1 |
290 |
cf |
[NAG]F:2 |
x,y,z |
1_555 |
6 |
1 |
356 |
61.0 |
1.3 |
0.082 |
0 |
0 |
0 |
0.000 |
| 23 |
28 |
|
[NAG]E:2 |
8 |
1 |
358 |
cf |
[NAG]E:1 |
x,y,z |
1_555 |
5 |
1 |
361 |
60.3 |
0.8 |
0.079 |
0 |
0 |
0 |
0.000 |
| 24 |
29 |
|
[MAN]F:4 |
6 |
1 |
291 |
cf |
[BMA]F:3 |
x,y,z |
1_555 |
5 |
1 |
290 |
60.2 |
2.6 |
0.257 |
0 |
0 |
0 |
0.000 |
| 25 |
30 |
|
[BMA]E:3 |
7 |
1 |
292 |
cf |
[NAG]E:2 |
x,y,z |
1_555 |
6 |
1 |
358 |
59.9 |
1.3 |
0.104 |
0 |
0 |
0 |
0.000 |
31 |
|
[BMA]H:3 |
6 |
1 |
289 |
cf |
[NAG]H:2 |
x,y,z |
1_555 |
5 |
1 |
357 |
59.2 |
1.4 |
0.142 |
0 |
0 |
0 |
0.000 |
32 |
|
[BMA]G:3 |
7 |
1 |
291 |
cf |
[NAG]G:2 |
x,y,z |
1_555 |
5 |
1 |
363 |
58.4 |
1.2 |
0.109 |
0 |
0 |
0 |
0.000 |
| Average: |
59.2 |
1.3 |
0.118 |
0 |
0 |
0 |
0.000 |
| 26 |
33 |
|
[MAN]G:4 |
6 |
1 |
290 |
cf |
[BMA]G:3 |
x,y,z |
1_555 |
6 |
1 |
291 |
57.5 |
2.5 |
0.190 |
0 |
0 |
0 |
0.000 |
| 27 |
34 |
|
[MAN]H:4 |
5 |
1 |
290 |
cf |
[BMA]H:3 |
x,y,z |
1_555 |
6 |
1 |
289 |
56.3 |
2.3 |
0.226 |
0 |
0 |
0 |
0.000 |
| 28 |
35 |
|
[MAN]E:4 |
6 |
1 |
289 |
cf |
[BMA]E:3 |
x,y,z |
1_555 |
6 |
1 |
292 |
55.0 |
2.3 |
0.212 |
0 |
0 |
0 |
0.000 |
| 29 |
36 |
|
[MAN]F:4 |
2 |
1 |
291 |
f |
B |
x,y,z |
1_555 |
7 |
2 |
16916 |
46.2 |
1.1 |
0.641 |
1 |
0 |
0 |
0.000 |
| 30 |
37 |
|
C |
8 |
4 |
17086 |
◊ |
B |
x,y,z |
1_555 |
6 |
1 |
16916 |
43.2 |
-0.3 |
0.508 |
0 |
0 |
0 |
0.000 |
| 31 |
38 |
|
[MAN]H:4 |
4 |
1 |
290 |
f |
D |
x,y,z |
1_555 |
6 |
2 |
17401 |
37.8 |
1.3 |
0.473 |
0 |
0 |
0 |
0.000 |
| 32 |
39 |
|
[MAN]E:4 |
3 |
1 |
289 |
f |
A |
x,y,z |
1_555 |
6 |
2 |
17159 |
33.0 |
0.8 |
0.433 |
0 |
0 |
0 |
0.000 |
| 33 |
40 |
|
D |
8 |
3 |
17401 |
◊ |
A |
x-1,y,z |
1_455 |
6 |
3 |
17159 |
32.4 |
-0.1 |
0.577 |
0 |
0 |
0 |
0.000 |
| 34 |
41 |
|
[BMA]E:3 |
3 |
1 |
292 |
f |
A |
x,y,z |
1_555 |
5 |
2 |
17159 |
30.4 |
0.3 |
0.321 |
0 |
0 |
0 |
0.000 |
| 35 |
42 |
|
[BMA]G:3 |
3 |
1 |
291 |
f |
C |
x,y,z |
1_555 |
5 |
2 |
17086 |
29.8 |
0.2 |
0.298 |
0 |
0 |
0 |
0.000 |
| 36 |
43 |
|
D |
4 |
2 |
17401 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
17159 |
28.3 |
0.1 |
0.576 |
0 |
0 |
0 |
0.000 |
| 37 |
44 |
|
[BMA]H:3 |
3 |
1 |
289 |
f |
D |
x,y,z |
1_555 |
5 |
2 |
17401 |
27.1 |
0.2 |
0.322 |
0 |
0 |
0 |
0.000 |
| 38 |
45 |
|
B |
3 |
1 |
16916 |
◊ |
C |
x-1,y,z |
1_455 |
4 |
1 |
17086 |
25.3 |
-0.0 |
0.548 |
0 |
0 |
0 |
0.000 |
| 39 |
46 |
|
[BMA]F:3 |
3 |
1 |
290 |
f |
B |
x,y,z |
1_555 |
4 |
2 |
16916 |
25.1 |
0.3 |
0.300 |
0 |
0 |
0 |
0.000 |
| 40 |
47 |
|
D |
3 |
1 |
17401 |
◊ |
C |
x,y-1,z |
1_545 |
2 |
1 |
17086 |
22.1 |
-0.5 |
0.289 |
0 |
0 |
0 |
0.000 |
| 41 |
48 |
|
[MAN]F:4 |
5 |
1 |
291 |
◊ |
C |
x-1,y,z |
1_455 |
2 |
1 |
17086 |
19.8 |
0.3 |
0.164 |
0 |
0 |
0 |
0.000 |
| 42 |
49 |
|
B |
4 |
3 |
16916 |
x |
B |
x-1,y,z |
1_455 |
6 |
4 |
16916 |
14.0 |
0.2 |
0.649 |
0 |
0 |
0 |
0.000 |
| 43 |
50 |
|
[MAN]G:4 |
3 |
1 |
290 |
f |
C |
x,y,z |
1_555 |
2 |
1 |
17086 |
13.6 |
-0.1 |
0.248 |
0 |
0 |
0 |
0.000 |
| 44 |
51 |
|
[MAN]F:4 |
2 |
1 |
291 |
f |
[NAG]F:2 |
x,y,z |
1_555 |
2 |
1 |
356 |
13.3 |
0.4 |
0.232 |
0 |
0 |
0 |
0.000 |
| 45 |
52 |
|
D |
3 |
1 |
17401 |
◊ |
[BMA]H:3 |
x-1,y,z |
1_455 |
2 |
1 |
289 |
10.6 |
0.4 |
0.423 |
0 |
0 |
0 |
0.000 |
| 46 |
53 |
|
[MAN]E:4 |
4 |
1 |
289 |
f |
[NAG]E:2 |
x,y,z |
1_555 |
2 |
1 |
358 |
9.7 |
0.3 |
0.147 |
0 |
0 |
0 |
0.000 |
| 47 |
54 |
|
[MAN]H:4 |
4 |
1 |
290 |
f |
[NAG]H:2 |
x,y,z |
1_555 |
3 |
1 |
357 |
9.0 |
0.3 |
0.157 |
0 |
0 |
0 |
0.000 |
| 48 |
55 |
|
[MAN]G:4 |
2 |
1 |
290 |
f |
[NAG]G:2 |
x,y,z |
1_555 |
2 |
1 |
363 |
5.5 |
0.3 |
0.225 |
0 |
0 |
0 |
0.000 |
| 49 |
56 |
|
D |
1 |
1 |
17401 |
◊ |
[NAG]H:1 |
x-1,y,z |
1_455 |
1 |
1 |
363 |
4.0 |
0.2 |
0.468 |
0 |
0 |
0 |
0.000 |
| 50 |
57 |
|
[NAG]F:2 |
1 |
1 |
356 |
◊ |
C |
x-1,y,z |
1_455 |
1 |
1 |
17086 |
0.6 |
-0.0 |
0.282 |
0 |
0 |
0 |
0.000 |
|